| 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 | 25.9 | Very low | 47.7 | Very low | 236 Ų | 236 | 120.1 Ų | 120.1 | 100% | 1.163 | 59% | 0.591 | S | S | * | * | 0 | 128.6 | 0 | -78.4 | 173.9 | -72.5 | 0 | 0 | 108.9 | |||||
| 2 | R | 28.9 | Very low | 50.5 | Low | 225 Ų | 225 | 112.1 Ų | 112.1 | 85% | 0.849 | 56% | 0.555 | S | S | * | * | trans | 47.9 | 73.1 | -176.8 | -67.1 | -171.5 | -179.3 | -176.5 | 1.7 | 116.4 | Y4 | R2-Y4 PolarHBondContact O-N 2.84Š| ||
| 3 | I | 27.4 | Very low | 52.8 | Low | 163 Ų | 163 | 112.8 Ų | 112.8 | 84% | 0.836 | 55% | 0.549 | S | S | * | . | trans | -73.1 | 106 | 168.2 | -59.3 | 169.2 | 0 | 0 | 0 | 107.7 | S5 | I3-S5 PolarHBondContact O-N 2.81Å; I3-S5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | Y | 32.5 | Very low | 55 | Low | 184 Ų | 184 | 109 Ų | 109 | 72% | 0.722 | 53% | 0.528 | S | S | * | . | trans | -68.3 | 101.2 | 165.3 | -71.4 | -85.3 | 0 | 0 | 0 | 107.8 | R2 L6 | R2-Y4 PolarHBondContact O-N 2.84Å; Y4-L6 PolarHBondContact O-N 3.07Å | ||
| 5 | S | 33.7 | Very low | 56.4 | Low | 89 Ų | 89 | 110.1 Ų | 110.1 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | trans | -66.6 | 117.9 | 163.9 | 58 | 0 | 0 | 0 | 0 | 107.4 | I3 A7 | I3-S5 PolarHBondContact O-N 2.81Å; I3-S5 VanDerWaalsContact O-N 3.14Å; S5-A7 PolarHBondContact O-N 3.43Å; S5-A7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | L | 42.7 | Very low | 57.5 | Low | 137 Ų | 137 | 105.5 Ų | 105.5 | 72% | 0.717 | 52% | 0.519 | S | S | * | . | trans | -42.7 | 118.4 | 168.7 | -77.8 | 143.5 | 0 | 0 | 0 | 109.1 | Y4 I8 | Y4-L6 PolarHBondContact O-N 3.07Å; L6-I8 PolarHBondContact O-N 3.03Å; L6-I8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | A | 46 | Very low | 57.8 | Low | 13 Ų | 13 | 101.2 Ų | 101.2 | 11% | 0.107 | 50% | 0.504 | C | S | . | . | trans | -77.5 | 95.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | S5 Y143 | S5-A7 PolarHBondContact O-N 3.43Å; S5-A7 VanDerWaalsContact O-N 3.12Å; A7-Y143 HydrophobicContact CB-CD2 3.64Å; A7-Y143 HydrophobicContact CB-CE2 4.44Å; A7-Y143 HydrophobicContact CB-CG 4.5Å | ||
| 8 | I | 59.7 | Low | 57.7 | Low | 96 Ų | 96 | 101.3 Ų | 101.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | trans | -73.1 | 133.1 | 168.9 | -56.6 | 171 | 0 | 0 | 0 | 106.3 | L6 | L6-I8 PolarHBondContact O-N 3.03Å; L6-I8 VanDerWaalsContact O-N 3.08Å | ||
| 9 | C | 75.3 | Confident | 57.1 | Low | 13 Ų | 13 | 103.8 Ų | 103.8 | 9% | 0.088 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 152.2 | 178.6 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | K11 D60 D63 G149 C151 | C9-K11 PolarHBondContact O-N 3.17Å; C9-D60 HydrophobicContact CB-CB 3.72Å; C9-D63 PolarHBondContact N-OD1 3.48Å; C9-D63 PolarHBondContact SG-OD1 3.22Å; C9-G149 CarbonylContact C-O 3.56Å; C9-G149 WeakPolarHBondContact CA-O 3.41Å; C9-C151 HydrophobicContact CB-CB 4.12Å; C9-C151 WeakPolarHBondContact CB-SG 3.38Å; C9-C151 PolarHBondContact O-SG 3.29Å; C9-C151 WeakPolarHBondContact SG-CA 3.48Å; C9-C151 WeakPolarHBondContact SG-CB 3.49Å; C9-C151 CovalentContact SG-SG 2.04Å; C9-C151 PolarHBondContact SG-SG 3.23Å |
| 10 | G | 74.4 | Confident | 56.7 | Low | 31 Ų | 31 | 103.6 Ų | 103.6 | 32% | 0.32 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 1.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | P12 G149 | G10-P12 WeakPolarHBondContact O-CD 3.48Å; G10-G149 PolarHBondContact N-O 2.86Å |
| 11 | K | 77.9 | Confident | 56 | Low | 134 Ų | 134 | 105.8 Ų | 105.8 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | trans | -109.4 | 100.5 | 177.5 | -166.7 | 174.8 | -176.5 | 173.7 | 0 | 112 | C9 Q148 | C9-K11 PolarHBondContact O-N 3.17Å; K11-Q148 PolarHBondContact O-OE1 2.89Å; K11-Q148 VanDerWaalsContact O-OE1 3.12Å | ||
| 12 | P | 82 | Confident | 56.6 | Low | 24 Ų | 24 | 105 Ų | 105 | 16% | 0.156 | 51% | 0.509 | C | S | . | . | trans | -74.3 | 153.2 | -176 | 32.8 | -34.2 | 0 | 0 | 0 | 111.9 | G10 F14 S36 P38 W39 | G10-P12 WeakPolarHBondContact O-CD 3.48Å; P12-F14 WeakPolarHBondContact CB-O 3.18Å; P12-S36 VanDerWaalsContact CB-O 3.24Å; P12-S36 WeakPolarHBondContact CB-O 3.3Å; P12-P38 HydrophobicContact CB-CG 3.8Å; P12-W39 HydrophobicContact CB-CH2 4.12Å; P12-W39 HydrophobicContact CB-CZ3 4.13Å; P12-W39 HydrophobicContact CG-CH2 4Å; P12-W39 HydrophobicContact CG-CZ3 4.39Å | ||
| 13 | Y | 79.8 | Confident | 57.2 | Low | 122 Ų | 122 | 99 Ų | 99 | 48% | 0.478 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -74.5 | -32.2 | 173.1 | -174.3 | -83.9 | 0 | 0 | 0 | 112.6 | K145 | Y13-K145 HydrophobicContact CD1-CB 4.29Å; Y13-K145 HydrophobicContact CD1-CD 4.39Å; Y13-K145 HydrophobicContact CD1-CG 4.49Å; Y13-K145 HydrophobicContact CD2-CB 4.41Å; Y13-K145 HydrophobicContact CD2-CD 4.29Å; Y13-K145 HydrophobicContact CD2-CG 4Å; Y13-K145 HydrophobicContact CE1-CD 4.04Å; Y13-K145 HydrophobicContact CE2-CD 3.9Å; Y13-K145 HydrophobicContact CE2-CG 4.07Å; Y13-K145 HydrophobicContact CG-CB 4.13Å; Y13-K145 HydrophobicContact CG-CG 4.21Å; Y13-K145 PolarHBondContact OH-NZ 2.95Å |
| 14 | F | 83.6 | Confident | 57.4 | Low | 59 Ų | 59 | 98.7 Ų | 98.7 | 26% | 0.259 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -108.9 | 127.2 | 176.7 | -55.9 | -84 | 0 | 0 | 0 | 108.4 | P12 H35 S36 K145 Y146 | P12-F14 WeakPolarHBondContact CB-O 3.18Å; F14-H35 HydrophobicContact CD2-CB 3.62Å; F14-H35 HydrophobicContact CE2-CB 3.9Å; F14-H35 HydrophobicContact CG-CB 4.47Å; F14-S36 WeakPolarHBondContact O-CA 3.5Å; F14-S36 WeakPolarHBondContact O-CB 3.16Å; F14-K145 HydrophobicContact CE2-CB 4.36Å; F14-K145 VanDerWaalsContact CE2-O 3.31Å; F14-K145 WeakPolarHBondContact CE2-O 3.5Å; F14-Y146 AromaticContact CE2-CD1 3.88Å; F14-Y146 HydrophobicContact CE2-CD1 3.88Å; F14-Y146 AromaticContact CE2-CE1 3.95Å; F14-Y146 HydrophobicContact CE2-CE1 3.95Å; F14-Y146 HydrophobicContact CZ-CD1 4.41Å; F14-Y146 HydrophobicContact CZ-CE1 4Å |
| 15 | D | 77.1 | Confident | 57.5 | Low | 126 Ų | 126 | 99.8 Ų | 99.8 | 67% | 0.674 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 145.6 | -179.4 | -69.6 | -40 | 0 | 0 | 0 | 111.3 | ||
| 16 | P | 73.6 | Confident | 57.9 | Low | 36 Ų | 36 | 97.6 Ų | 97.6 | 23% | 0.234 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 155 | 170 | -22.5 | 32.8 | 0 | 0 | 0 | 112.4 | S18 F167 | P16-S18 PolarHBondContact O-N 3.13Å; P16-F167 HydrophobicContact CB-CE1 4.49Å; P16-F167 HydrophobicContact CB-CZ 4.22Å; P16-F167 HydrophobicContact CG-CE2 4.43Å |
| 17 | A | 62.6 | Low | 58.1 | Low | 32 Ų | 32 | 94.9 Ų | 94.9 | 26% | 0.264 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 135.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V33 E188 | A17-V33 HydrophobicContact CB-CG2 3.64Å; A17-E188 PolarHBondContact N-OE1 2.85Å |
| 18 | S | 55.3 | Low | 58.2 | Low | 103 Ų | 103 | 104.1 Ų | 104.1 | 72% | 0.72 | 50% | 0.502 | S | S | * | . | trans | -92.6 | -9.3 | 172.9 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | P16 | P16-S18 PolarHBondContact O-N 3.13Š| ||
| 19 | E | 47 | Very low | 58.4 | Low | 149 Ų | 149 | 99.8 Ų | 99.8 | 70% | 0.696 | 48% | 0.481 | S | S | * | . | trans | -112.6 | 105.1 | -166 | -134.7 | -175.8 | -141.2 | 0 | 0 | 112.2 | K21 | E19-K21 PolarHBondContact O-N 3.23Š| ||
| 20 | Y | 48.4 | Very low | 58.2 | Low | 100 Ų | 100 | 102 Ų | 102 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | trans | -85.1 | 82.9 | 179.4 | -61.7 | -66.1 | 0 | 0 | 0 | 111.5 | R22 F30 E190 | Y20-R22 PolarHBondContact O-N 3.37Å; Y20-R22 VanDerWaalsContact O-N 3.13Å; Y20-F30 AromaticContact CD1-CD2 3.72Å; Y20-F30 HydrophobicContact CD1-CD2 3.72Å; Y20-F30 AromaticContact CD1-CE2 3.38Å; Y20-F30 HydrophobicContact CD1-CE2 3.38Å; Y20-F30 AromaticContact CD1-CZ 3.96Å; Y20-F30 HydrophobicContact CD1-CZ 3.96Å; Y20-F30 HydrophobicContact CE1-CD2 4.07Å; Y20-F30 AromaticContact CE1-CE2 3.94Å; Y20-F30 HydrophobicContact CE1-CE2 3.94Å; Y20-F30 HydrophobicContact CG-CE2 4.38Å; Y20-E190 PolarHBondContact OH-OE2 3Å | ||
| 21 | K | 42.7 | Very low | 58.4 | Low | 149 Ų | 149 | 105 Ų | 105 | 65% | 0.648 | 50% | 0.498 | S | S | * | . | trans | -67.5 | 112.8 | 164.9 | -80.3 | -175.2 | -179.9 | 175.8 | 0 | 108.2 | E19 T23 F30 | E19-K21 PolarHBondContact O-N 3.23Å; K21-T23 PolarHBondContact O-N 3.5Å; K21-F30 WeakPolarHBondContact O-CE1 3.4Å | ||
| 22 | R | 38.9 | Very low | 58.5 | Low | 220 Ų | 220 | 98.8 Ų | 98.8 | 83% | 0.83 | 47% | 0.472 | S | S | * | . | trans | -58.2 | 71.7 | 172.3 | -69.5 | -176.3 | -179.1 | -175.6 | -0 | 111.2 | Y20 | Y20-R22 PolarHBondContact O-N 3.37Å; Y20-R22 VanDerWaalsContact O-N 3.13Å | ||
| 23 | T | 39.8 | Very low | 58.5 | Low | 98 Ų | 98 | 100 Ų | 100 | 60% | 0.601 | 48% | 0.479 | S | S | * | . | trans | -118.5 | 98.3 | 169.8 | 56.8 | 0 | 0 | 0 | 0 | 107.5 | K21 R25 | K21-T23 PolarHBondContact O-N 3.5Å; T23-R25 PolarHBondContact O-N 3Å | ||
| 24 | N | 32.1 | Very low | 58.7 | Low | 158 Ų | 158 | 97.2 Ų | 97.2 | 85% | 0.845 | 48% | 0.476 | S | S | * | . | trans | -54.5 | 91 | -178.6 | -63.4 | -31.9 | 0 | 0 | 0 | 111.9 | ||||
| 25 | R | 34.4 | Very low | 58.7 | Low | 206 Ų | 206 | 96 Ų | 96 | 78% | 0.777 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -140.3 | 7.8 | 173.2 | -80.6 | -163.8 | 178.4 | 159.1 | 0.1 | 117.2 | T23 I174 | T23-R25 PolarHBondContact O-N 3Å; R25-I174 VanDerWaalsContact O-CB 3.31Å; R25-I174 WeakPolarHBondContact O-CB 3.37Å |
| 26 | I | 42.9 | Very low | 59.3 | Low | 44 Ų | 44 | 90 Ų | 90 | 23% | 0.226 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -127.9 | 167.2 | 143.3 | -61 | -165.4 | 0 | 0 | 0 | 105.3 | R28 I174 H187 | I26-R28 PolarHBondContact O-N 3.06Å; I26-I174 HydrophobicContact CD1-CB 4.27Å; I26-I174 HydrophobicContact CD1-CG2 3.52Å; I26-I174 HydrophobicContact CG1-CB 3.73Å; I26-I174 HydrophobicContact CG1-CG2 3.49Å; I26-I174 VanDerWaalsContact CG1-CG2 3.49Å; I26-H187 HydrophobicContact CD1-CB 3.84Å; I26-H187 WeakPolarHBondContact CD1-CD2 3.42Å |
| 27 | V | 47.2 | Very low | 60.1 | Low | 79 Ų | 79 | 88.8 Ų | 88.8 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -62 | 83.7 | 161.3 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | K176 | V27-K176 HydrophobicContact CG2-CD 4.08Å; V27-K176 HydrophobicContact CG2-CG 3.99Å |
| 28 | R | 48.1 | Very low | 61.4 | Low | 207 Ų | 207 | 87.3 Ų | 87.3 | 78% | 0.781 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 75.8 | 6.8 | 176.2 | -61 | -179.7 | 167.8 | 175.8 | -4.7 | 120.6 | I26 M189 | I26-R28 PolarHBondContact O-N 3.06Å; R28-M189 HydrophobicContact CB-CE 3.55Å |
| 29 | G | 62.8 | Low | 63.2 | Low | 5 Ų | 5 | 83.7 Ų | 83.7 | 5% | 0.052 | 39% | 0.388 | C | S | . | . | trans | -102.3 | 170.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 30 | F | 72.5 | Confident | 65.5 | Low | 59 Ų | 59 | 77.1 Ų | 77.1 | 26% | 0.259 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 164.2 | -175.4 | -51.2 | -87.2 | 0 | 0 | 0 | 113 | Y20 K21 A32 H187 E188 | Y20-F30 AromaticContact CD1-CD2 3.72Å; Y20-F30 HydrophobicContact CD1-CD2 3.72Å; Y20-F30 AromaticContact CD1-CE2 3.38Å; Y20-F30 HydrophobicContact CD1-CE2 3.38Å; Y20-F30 AromaticContact CD1-CZ 3.96Å; Y20-F30 HydrophobicContact CD1-CZ 3.96Å; Y20-F30 HydrophobicContact CE1-CD2 4.07Å; Y20-F30 AromaticContact CE1-CE2 3.94Å; Y20-F30 HydrophobicContact CE1-CE2 3.94Å; Y20-F30 HydrophobicContact CG-CE2 4.38Å; K21-F30 WeakPolarHBondContact O-CE1 3.4Å; F30-A32 PolarHBondContact O-N 3.27Å; F30-H187 CarbonylContact O-C 3.59Å; F30-H187 WeakPolarHBondContact O-CA 3.5Å; F30-H187 VanDerWaalsContact O-CB 3.29Å; F30-H187 WeakPolarHBondContact O-CB 3Å; F30-H187 PolarHBondContact O-CD2 3.45Å; F30-E188 PolarHBondContact N-O 2.78Å; F30-E188 PolarHBondContact O-N 2.51Å |
| 31 | N | 76.7 | Confident | 67.6 | Low | 95 Ų | 95 | 72.4 Ų | 72.4 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 126 | 171.5 | -80.2 | -24.5 | 0 | 0 | 0 | 109.7 | H187 | N31-H187 PolarHBondContact OD1-CE1 2.96Å; N31-H187 PolarHBondContact OD1-NE2 2.63Å |
| 32 | A | 80.2 | Confident | 70 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 149.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F30 H101 L186 E188 | F30-A32 PolarHBondContact O-N 3.27Å; A32-H101 PolarHBondContact O-CE1 2.81Å; A32-L186 HydrophobicContact CB-CB 4.44Å; A32-L186 HydrophobicContact CB-CD2 4.32Å; A32-L186 HydrophobicContact CB-CG 4.2Å; A32-L186 WeakPolarHBondContact CB-O 3.45Å; A32-L186 PolarHBondContact N-O 3Å; A32-E188 HydrophobicContact CB-CB 4Å; A32-E188 HydrophobicContact CB-CG 4Å |
| 33 | V | 83.6 | Confident | 72.7 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 30% | 0.303 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 135.8 | 167.9 | 176.2 | 0 | 0 | 0 | 0 | 108.5 | A17 H35 S36 | A17-V33 HydrophobicContact CB-CG2 3.64Å; V33-H35 PolarHBondContact O-N 3.21Å; V33-S36 PolarHBondContact O-N 3.47Å; V33-S36 PolarHBondContact O-OG 3.02Å |
| 34 | P | 83 | Confident | 75 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 119.6 | 178.6 | -27.9 | 33.5 | 0 | 0 | 0 | 112.3 | S36 H101 | P34-S36 VanDerWaalsContact C-N 3.31Å; P34-S36 PolarHBondContact O-N 3.09Å; P34-H101 HydrophobicContact CB-CB 4.39Å |
| 35 | H | 84.7 | Confident | 77.7 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 15% | 0.153 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 18.9 | 179.2 | -44.1 | -79.8 | 0 | 0 | 0 | 116.2 | F14 V33 H37 G99 T109 Y146 | F14-H35 HydrophobicContact CD2-CB 3.62Å; F14-H35 HydrophobicContact CE2-CB 3.9Å; F14-H35 HydrophobicContact CG-CB 4.47Å; V33-H35 PolarHBondContact O-N 3.21Å; H35-H37 PolarHBondContact O-N 3.03Å; H35-G99 PolarHBondContact CE1-O 2.86Å; H35-G99 VanDerWaalsContact CE1-O 3.28Å; H35-G99 PolarHBondContact ND1-O 2.84Å; H35-T109 PolarHBondContact CE1-OG1 2.87Å; H35-Y146 HydrophobicContact CB-CD1 4.08Å; H35-Y146 AromaticContact CD2-CD1 3.68Å; H35-Y146 AromaticContact CE1-CD1 3.94Å; H35-Y146 AromaticContact CG-CD1 3.57Å; H35-Y146 AromaticContact ND1-CD1 3.75Å; H35-Y146 AromaticContact NE2-CD1 3.93Å |
| 36 | S | 88.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -69.3 | -18 | 175.5 | 56.7 | 0 | 0 | 0 | 0 | 115.2 | P12 F14 V33 P34 P38 | P12-S36 VanDerWaalsContact CB-O 3.24Å; P12-S36 WeakPolarHBondContact CB-O 3.3Å; F14-S36 WeakPolarHBondContact O-CA 3.5Å; F14-S36 WeakPolarHBondContact O-CB 3.16Å; V33-S36 PolarHBondContact O-N 3.47Å; V33-S36 PolarHBondContact O-OG 3.02Å; P34-S36 VanDerWaalsContact C-N 3.31Å; P34-S36 PolarHBondContact O-N 3.09Å; S36-P38 VanDerWaalsContact C-CD 3.46Å; S36-P38 VanDerWaalsContact O-CD 3.29Å; S36-P38 WeakPolarHBondContact O-CD 3.33Å |
| 37 | H | 90.2 | Very high | 81.6 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.046 | 18% | 0.182 | C | C | . | . | trans | -118.5 | 74.1 | 175.9 | -62.2 | -86.6 | 0 | 0 | 0 | 110.2 | H35 W39 Q40 T169 L186 E188 | H35-H37 PolarHBondContact O-N 3.03Å; H37-W39 AromaticContact ND1-CZ2 3.9Å; H37-W39 AromaticContact ND1-NE1 3.99Å; H37-W39 PolarHBondContact O-N 3.37Å; H37-Q40 HydrophobicContact CB-CB 4.4Å; H37-Q40 VanDerWaalsContact O-CB 3.26Å; H37-Q40 WeakPolarHBondContact O-CB 3.37Å; H37-Q40 PolarHBondContact O-N 3.49Å; H37-Q40 VanDerWaalsContact O-N 3.08Å; H37-T169 HydrophobicContact CB-CG2 4.31Å; H37-L186 HydrophobicContact CB-CD2 4.37Å; H37-E188 IonicContact CD2-OE2 3.77Å; H37-E188 PolarHBondContact CD2-OE2 3.08Å; H37-E188 IonicContact CE1-OE2 2.66Å; H37-E188 IonicContact NE2-OE2 3.62Å; H37-E188 PolarHBondContact NE2-OE2 2.97Å | ||
| 38 | P | 91 | Very high | 82.6 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -13.6 | -170.1 | 29.7 | -37 | 0 | 0 | 0 | 114.1 | P12 S36 V147 Q148 | P12-P38 HydrophobicContact CB-CG 3.8Å; S36-P38 VanDerWaalsContact C-CD 3.46Å; S36-P38 VanDerWaalsContact O-CD 3.29Å; S36-P38 WeakPolarHBondContact O-CD 3.33Å; P38-V147 WeakPolarHBondContact O-CA 3.49Å; P38-Q148 CarbonylContact C-O 3.6Å; P38-Q148 HydrophobicContact CB-CB 4.05Å; P38-Q148 HydrophobicContact CB-CG 4.25Å; P38-Q148 HydrophobicContact CG-CB 3.92Å; P38-Q148 HydrophobicContact CG-CG 4.29Å; P38-Q148 PolarHBondContact O-N 2.87Å |
| 39 | W | 93.2 | Very high | 83.7 | Confident | 27 Ų | 27 | 33.7 Ų | 33.7 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -9.5 | 173.3 | 44 | 77.8 | 0 | 0 | 0 | 113.7 | P12 H37 A41 S57 L58 Q148 I150 | P12-W39 HydrophobicContact CB-CH2 4.12Å; P12-W39 HydrophobicContact CB-CZ3 4.13Å; P12-W39 HydrophobicContact CG-CH2 4Å; P12-W39 HydrophobicContact CG-CZ3 4.39Å; H37-W39 AromaticContact ND1-CZ2 3.9Å; H37-W39 AromaticContact ND1-NE1 3.99Å; H37-W39 PolarHBondContact O-N 3.37Å; W39-A41 PolarHBondContact O-N 2.91Å; W39-S57 WeakPolarHBondContact O-CA 2.97Å; W39-L58 HydrophobicContact CB-CB 4.47Å; W39-L58 PolarHBondContact O-N 3.03Å; W39-Q148 WeakPolarHBondContact CA-O 3.19Å; W39-Q148 VanDerWaalsContact CB-O 3.29Å; W39-Q148 WeakPolarHBondContact CB-O 3.44Å; W39-Q148 PolarHBondContact N-O 3.01Å; W39-I150 HydrophobicContact CB-CB 3.95Å; W39-I150 HydrophobicContact CB-CG2 4.43Å; W39-I150 HydrophobicContact CD2-CB 3.86Å; W39-I150 HydrophobicContact CD2-CD1 4.15Å; W39-I150 HydrophobicContact CD2-CG1 4.13Å; W39-I150 HydrophobicContact CE3-CB 4.15Å; W39-I150 HydrophobicContact CE3-CG1 4.4Å; W39-I150 HydrophobicContact CG-CB 3.76Å; W39-I150 HydrophobicContact CG-CD1 4.32Å; W39-I150 HydrophobicContact CG-CG1 4.41Å; W39-I150 HydrophobicContact CG-CG2 4.47Å; W39-I150 HydrophobicContact CZ2-CD1 4.31Å |
| 40 | Q | 93.6 | Very high | 84.1 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 117.3 | -179.6 | -178.8 | 68.5 | 58.7 | 0 | 0 | 110.7 | H37 G56 T169 W171 L186 | H37-Q40 HydrophobicContact CB-CB 4.4Å; H37-Q40 VanDerWaalsContact O-CB 3.26Å; H37-Q40 WeakPolarHBondContact O-CB 3.37Å; H37-Q40 PolarHBondContact O-N 3.49Å; H37-Q40 VanDerWaalsContact O-N 3.08Å; Q40-G56 PolarHBondContact NE2-O 3.33Å; Q40-T169 VanDerWaalsContact OE1-CB 3.3Å; Q40-T169 PolarHBondContact OE1-O 2.71Å; Q40-T169 PolarHBondContact OE1-OG1 2.76Å; Q40-W171 HydrophobicContact CG-CH2 3.43Å; Q40-W171 VanDerWaalsContact CG-CH2 3.43Å; Q40-W171 HydrophobicContact CG-CZ2 4.31Å; Q40-W171 HydrophobicContact CG-CZ3 3.67Å; Q40-L186 HydrophobicContact CB-CD2 4.36Å; Q40-L186 HydrophobicContact CG-CD1 3.86Å; Q40-L186 HydrophobicContact CG-CD2 4.2Å |
| 41 | A | 94 | Very high | 84.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | W39 G56 V70 V96 F98 | W39-A41 PolarHBondContact O-N 2.91Å; A41-G56 WeakPolarHBondContact CB-O 3.17Å; A41-G56 PolarHBondContact N-O 3.13Å; A41-G56 PolarHBondContact O-N 2.99Å; A41-V70 HydrophobicContact CB-CG1 4.04Å; A41-V96 HydrophobicContact CB-CG1 3.95Å; A41-F98 HydrophobicContact CB-CD1 4Å; A41-F98 HydrophobicContact CB-CE1 3.41Å; A41-F98 VanDerWaalsContact CB-CE1 3.41Å; A41-F98 HydrophobicContact CB-CZ 4.11Å |
| 42 | L | 93.6 | Very high | 84.7 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 116.6 | 162.8 | 171.8 | 72.2 | 0 | 0 | 0 | 107.8 | K53 Y97 I100 L103 W171 | L42-K53 HydrophobicContact CD1-CB 4Å; L42-K53 HydrophobicContact CD1-CD 4.26Å; L42-K53 HydrophobicContact CD1-CG 4.19Å; L42-Y97 HydrophobicContact CD2-CD2 4.43Å; L42-Y97 PolarHBondContact N-O 3.19Å; L42-Y97 PolarHBondContact O-N 2.78Å; L42-I100 HydrophobicContact CD2-CD1 4.03Å; L42-L103 HydrophobicContact CD2-CD2 3.8Å; L42-W171 HydrophobicContact CB-CH2 4.11Å; L42-W171 HydrophobicContact CB-CZ3 3.89Å; L42-W171 HydrophobicContact CD1-CE3 4.19Å; L42-W171 HydrophobicContact CD1-CZ3 4.26Å |
| 43 | I | 93.8 | Very high | 85 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 120.3 | 174.9 | -59.4 | 165.5 | 0 | 0 | 0 | 107 | V45 K53 C54 V70 T72 V94 V96 L135 | I43-V45 HydrophobicContact CG2-CG2 4.05Å; I43-K53 CarbonylContact O-C 3.15Å; I43-K53 WeakPolarHBondContact O-CA 3.45Å; I43-C54 HydrophobicContact CB-CB 4.03Å; I43-C54 PolarHBondContact N-O 3.32Å; I43-C54 PolarHBondContact O-N 2.97Å; I43-V70 HydrophobicContact CD1-CG1 4.48Å; I43-T72 HydrophobicContact CD1-CG2 3.82Å; I43-T72 WeakPolarHBondContact CD1-OG1 3.08Å; I43-V94 HydrophobicContact CG2-CG1 3.71Å; I43-V96 HydrophobicContact CG1-CG2 4.37Å; I43-L135 HydrophobicContact CD1-CD1 3.76Å; I43-L135 HydrophobicContact CG1-CD1 4.12Å; I43-L135 HydrophobicContact CG2-CD1 4.23Å |
| 44 | Y | 90 | Very high | 85.4 | Confident | 58 Ų | 58 | 44 Ų | 44 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125 | 178.4 | -170.8 | -99.4 | 0 | 0 | 0 | 108.9 | A46 K51 K53 V94 H95 Y97 | Y44-A46 HydrophobicContact CE1-CB 4.06Å; Y44-K51 HydrophobicContact CE1-CG 4.44Å; Y44-K51 WeakPolarHBondContact OH-CD 3.49Å; Y44-K51 WeakPolarHBondContact OH-CE 3.46Å; Y44-K51 WeakPolarHBondContact OH-CG 3.48Å; Y44-K53 HydrophobicContact CD2-CG 4.04Å; Y44-K53 HydrophobicContact CE2-CG 4.42Å; Y44-V94 WeakPolarHBondContact O-CA 3.33Å; Y44-H95 PolarHBondContact N-O 2.91Å; Y44-H95 PolarHBondContact O-N 3.28Å; Y44-Y97 HydrophobicContact CG-CE2 4.41Å |
| 45 | V | 88.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.1 | -178.9 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | I43 I47 K51 Y52 V89 V94 | I43-V45 HydrophobicContact CG2-CG2 4.05Å; V45-I47 HydrophobicContact CG1-CD1 3.66Å; V45-I47 HydrophobicContact CG1-CG1 3.72Å; V45-K51 WeakPolarHBondContact O-CA 3.49Å; V45-Y52 HydrophobicContact CB-CD1 4.25Å; V45-Y52 HydrophobicContact CB-CD2 4.2Å; V45-Y52 HydrophobicContact CB-CE1 3.78Å; V45-Y52 HydrophobicContact CB-CE2 3.72Å; V45-Y52 HydrophobicContact CB-CG 4.44Å; V45-Y52 VanDerWaalsContact CB-CZ 3.5Å; V45-Y52 HydrophobicContact CG1-CD1 4.43Å; V45-Y52 HydrophobicContact CG1-CE1 3.6Å; V45-Y52 HydrophobicContact CG1-CE2 4.2Å; V45-Y52 VanDerWaalsContact CG1-CZ 3.46Å; V45-Y52 WeakPolarHBondContact CG1-OH 3.46Å; V45-Y52 HydrophobicContact CG2-CD2 4.48Å; V45-Y52 HydrophobicContact CG2-CE2 3.8Å; V45-Y52 PolarHBondContact N-O 3.39Å; V45-Y52 VanDerWaalsContact N-O 3.08Å; V45-Y52 PolarHBondContact O-N 3.46Å; V45-V89 HydrophobicContact CG1-CB 4.49Å; V45-V89 HydrophobicContact CG1-CG1 3.75Å; V45-V89 HydrophobicContact CG1-CG2 4.19Å; V45-V94 HydrophobicContact CG1-CG2 4.48Å; V45-V94 HydrophobicContact CG2-CG1 4.3Å; V45-V94 HydrophobicContact CG2-CG2 4.22Å |
| 46 | A | 83.3 | Confident | 86.2 | Confident | 31 Ų | 31 | 41.5 Ų | 41.5 | 26% | 0.256 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 98.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y44 K51 D93 | Y44-A46 HydrophobicContact CE1-CB 4.06Å; A46-K51 HydrophobicContact CB-CG 3.99Å; A46-D93 PolarHBondContact N-O 3.49Å; A46-D93 VanDerWaalsContact N-O 3.1Å; A46-D93 WeakPolarHBondContact O-CB 3.41Å |
| 47 | I | 74.9 | Confident | 86.5 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.7 | -176.4 | -52.2 | 165.4 | 0 | 0 | 0 | 108.5 | V45 G49 T50 Y52 D79 V89 D93 | V45-I47 HydrophobicContact CG1-CD1 3.66Å; V45-I47 HydrophobicContact CG1-CG1 3.72Å; I47-G49 PolarHBondContact O-N 3.13Å; I47-T50 PolarHBondContact N-O 2.99Å; I47-T50 WeakPolarHBondContact O-CA 3.47Å; I47-T50 WeakPolarHBondContact O-CB 3.37Å; I47-T50 PolarHBondContact O-N 3.31Å; I47-T50 VanDerWaalsContact O-O 3.13Å; I47-Y52 HydrophobicContact CD1-CE1 4.33Å; I47-D79 HydrophobicContact CD1-CB 4.38Å; I47-V89 HydrophobicContact CD1-CB 3.9Å; I47-V89 HydrophobicContact CD1-CG1 3.33Å; I47-V89 HydrophobicContact CD1-CG2 3.34Å; I47-V89 HydrophobicContact CG1-CG1 3.5Å; I47-V89 VanDerWaalsContact CG1-CG1 3.5Å; I47-V89 HydrophobicContact CG1-CG2 4.44Å; I47-D93 HydrophobicContact CG1-CB 4.43Å |
| 48 | N | 69.3 | Low | 86.7 | Confident | 156 Ų | 156 | 43 Ų | 43 | 83% | 0.834 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 34.4 | 171.8 | -64.3 | -29.6 | 0 | 0 | 0 | 114.6 | T50 | N48-T50 VanDerWaalsContact C-N 3.25Å; N48-T50 PolarHBondContact O-N 3.21Å |
| 49 | G | 70.1 | Confident | 86.5 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 77% | 0.773 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -16.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I47 | I47-G49 PolarHBondContact O-N 3.13Š|
| 50 | T | 72 | Confident | 85.7 | Confident | 78 Ų | 78 | 42.1 Ų | 42.1 | 48% | 0.479 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.2 | 172.6 | -51.9 | 0 | 0 | 0 | 0 | 109.9 | I47 N48 | I47-T50 PolarHBondContact N-O 2.99Å; I47-T50 WeakPolarHBondContact O-CA 3.47Å; I47-T50 WeakPolarHBondContact O-CB 3.37Å; I47-T50 PolarHBondContact O-N 3.31Å; I47-T50 VanDerWaalsContact O-O 3.13Å; N48-T50 VanDerWaalsContact C-N 3.25Å; N48-T50 PolarHBondContact O-N 3.21Å |
| 51 | K | 77.3 | Confident | 84.2 | Confident | 140 Ų | 140 | 46.2 Ų | 46.2 | 61% | 0.609 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 119.2 | -178.3 | -75.9 | 162.3 | 162.9 | -173.9 | 0 | 109.7 | Y44 V45 A46 | Y44-K51 HydrophobicContact CE1-CG 4.44Å; Y44-K51 WeakPolarHBondContact OH-CD 3.49Å; Y44-K51 WeakPolarHBondContact OH-CE 3.46Å; Y44-K51 WeakPolarHBondContact OH-CG 3.48Å; V45-K51 WeakPolarHBondContact O-CA 3.49Å; A46-K51 HydrophobicContact CB-CG 3.99Å |
| 52 | Y | 84.3 | Confident | 82.5 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 27% | 0.271 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 161.9 | 177.1 | 65.4 | -90.8 | 0 | 0 | 0 | 111.6 | V45 I47 C76 | V45-Y52 HydrophobicContact CB-CD1 4.25Å; V45-Y52 HydrophobicContact CB-CD2 4.2Å; V45-Y52 HydrophobicContact CB-CE1 3.78Å; V45-Y52 HydrophobicContact CB-CE2 3.72Å; V45-Y52 HydrophobicContact CB-CG 4.44Å; V45-Y52 VanDerWaalsContact CB-CZ 3.5Å; V45-Y52 HydrophobicContact CG1-CD1 4.43Å; V45-Y52 HydrophobicContact CG1-CE1 3.6Å; V45-Y52 HydrophobicContact CG1-CE2 4.2Å; V45-Y52 VanDerWaalsContact CG1-CZ 3.46Å; V45-Y52 WeakPolarHBondContact CG1-OH 3.46Å; V45-Y52 HydrophobicContact CG2-CD2 4.48Å; V45-Y52 HydrophobicContact CG2-CE2 3.8Å; V45-Y52 PolarHBondContact N-O 3.39Å; V45-Y52 VanDerWaalsContact N-O 3.08Å; V45-Y52 PolarHBondContact O-N 3.46Å; I47-Y52 HydrophobicContact CD1-CE1 4.33Å; Y52-C76 VanDerWaalsContact CE2-O 3.31Å; Y52-C76 WeakPolarHBondContact CE2-O 3.45Å; Y52-C76 PolarHBondContact OH-O 3.08Å |
| 53 | K | 86.6 | Confident | 80.6 | Confident | 123 Ų | 123 | 54.6 Ų | 54.6 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136 | -174.4 | -66.7 | 174.4 | -173.2 | 170.6 | 0 | 109.4 | L42 I43 Y44 | L42-K53 HydrophobicContact CD1-CB 4Å; L42-K53 HydrophobicContact CD1-CD 4.26Å; L42-K53 HydrophobicContact CD1-CG 4.19Å; I43-K53 CarbonylContact O-C 3.15Å; I43-K53 WeakPolarHBondContact O-CA 3.45Å; Y44-K53 HydrophobicContact CD2-CG 4.04Å; Y44-K53 HydrophobicContact CE2-CG 4.42Å |
| 54 | C | 91.2 | Very high | 78.9 | Confident | 19 Ų | 19 | 59.5 Ų | 59.5 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 159.9 | 176.3 | -93.3 | 0 | 0 | 0 | 0 | 111.7 | I43 C76 | I43-C54 HydrophobicContact CB-CB 4.03Å; I43-C54 PolarHBondContact N-O 3.32Å; I43-C54 PolarHBondContact O-N 2.97Å; C54-C76 HydrophobicContact CB-CB 3.59Å; C54-C76 WeakPolarHBondContact CB-SG 3.48Å; C54-C76 VanDerWaalsContact SG-CA 3.56Å; C54-C76 WeakPolarHBondContact SG-CB 3.43Å; C54-C76 CovalentContact SG-SG 2.04Å; C54-C76 PolarHBondContact SG-SG 3.43Å |
| 55 | G | 91 | Very high | 77.6 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 150.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T72 | G55-T72 PolarHBondContact O-OG1 3.07Å |
| 56 | G | 94.1 | Very high | 76.8 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 175.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111 | Q40 A41 L71 | Q40-G56 PolarHBondContact NE2-O 3.33Å; A41-G56 WeakPolarHBondContact CB-O 3.17Å; A41-G56 PolarHBondContact N-O 3.13Å; A41-G56 PolarHBondContact O-N 2.99Å; G56-L71 CarbonylContact C-O 3.54Å; G56-L71 VanDerWaalsContact CA-O 3.24Å; G56-L71 WeakPolarHBondContact CA-O 2.95Å |
| 57 | S | 94.4 | Very high | 76.7 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127 | 178 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | W39 I59 V70 L71 | W39-S57 WeakPolarHBondContact O-CA 2.97Å; S57-I59 PolarHBondContact O-N 3.47Å; S57-V70 WeakPolarHBondContact O-CA 3.27Å; S57-L71 PolarHBondContact N-O 3.43Å; S57-L71 PolarHBondContact O-N 2.74Å |
| 58 | L | 93.7 | Very high | 77.2 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 115.6 | 170.2 | -173.2 | 58.3 | 0 | 0 | 0 | 108.8 | W39 V70 F98 V141 Y143 V147 G149 I150 | W39-L58 HydrophobicContact CB-CB 4.47Å; W39-L58 PolarHBondContact O-N 3.03Å; L58-V70 HydrophobicContact CD1-CG2 4.38Å; L58-F98 HydrophobicContact CB-CD1 4.44Å; L58-F98 HydrophobicContact CB-CE1 3.73Å; L58-F98 HydrophobicContact CB-CZ 4.3Å; L58-F98 HydrophobicContact CD1-CE1 4.25Å; L58-F98 HydrophobicContact CD1-CZ 3.96Å; L58-F98 HydrophobicContact CD2-CD1 4.41Å; L58-F98 HydrophobicContact CD2-CE1 4.19Å; L58-F98 HydrophobicContact CD2-CZ 4.48Å; L58-F98 HydrophobicContact CG-CE1 4.3Å; L58-F98 HydrophobicContact CG-CZ 4.5Å; L58-V141 HydrophobicContact CD1-CB 4.26Å; L58-V141 HydrophobicContact CD1-CG2 3.87Å; L58-V141 HydrophobicContact CD2-CB 4.01Å; L58-V141 HydrophobicContact CD2-CG1 3.78Å; L58-V141 HydrophobicContact CD2-CG2 4.32Å; L58-Y143 HydrophobicContact CD2-CD1 4.3Å; L58-Y143 HydrophobicContact CD2-CE1 3.61Å; L58-Y143 HydrophobicContact CG-CE1 4.32Å; L58-V147 HydrophobicContact CD2-CG1 3.97Å; L58-G149 CarbonylContact O-C 3.58Å; L58-G149 WeakPolarHBondContact O-CA 3.27Å; L58-I150 PolarHBondContact O-N 3.08Å |
| 59 | I | 88.4 | Confident | 78.1 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 138.5 | -176.3 | 52.1 | 167.1 | 0 | 0 | 0 | 110.8 | S57 S67 L69 L71 I150 L152 M205 | S57-I59 PolarHBondContact O-N 3.47Å; I59-S67 WeakPolarHBondContact O-CB 3.4Å; I59-S67 PolarHBondContact O-OG 3.42Å; I59-L69 HydrophobicContact CD1-CB 3.97Å; I59-L69 HydrophobicContact CG1-CB 3.76Å; I59-L69 WeakPolarHBondContact CG1-O 3.29Å; I59-L69 PolarHBondContact N-O 3.35Å; I59-L69 VanDerWaalsContact N-O 3.08Å; I59-L71 HydrophobicContact CG2-CB 3.81Å; I59-L71 HydrophobicContact CG2-CD2 4.48Å; I59-I150 HydrophobicContact CG2-CG2 4.26Å; I59-L152 HydrophobicContact CB-CD1 4.32Å; I59-L152 HydrophobicContact CB-CG 4.36Å; I59-L152 HydrophobicContact CD1-CD1 4.05Å; I59-L152 HydrophobicContact CG2-CD2 4.19Å; I59-L152 HydrophobicContact CG2-CG 4.37Å; I59-M205 HydrophobicContact CD1-CE 3.62Å |
| 60 | D | 76.2 | Confident | 79.2 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128 | 171.4 | -155 | -44.4 | 0 | 0 | 0 | 110.2 | C9 N62 D63 H64 Y143 I150 | C9-D60 HydrophobicContact CB-CB 3.72Å; D60-N62 PolarHBondContact OD1-N 2.93Å; D60-D63 PolarHBondContact OD1-N 3.05Å; D60-H64 PolarHBondContact OD1-N 2.83Å; D60-H64 IonicContact OD1-ND1 3.88Å; D60-H64 PolarHBondContact OD2-N 3.01Å; D60-Y143 VanDerWaalsContact OD2-CE2 3.32Å; D60-Y143 WeakPolarHBondContact OD2-CE2 3.32Å; D60-Y143 PolarHBondContact OD2-OH 2.04Å; D60-I150 PolarHBondContact N-O 3.2Å |
| 61 | W | 62.8 | Low | 80.2 | Confident | 97 Ų | 97 | 50.1 Ų | 50.1 | 37% | 0.367 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -92.2 | -22.3 | -171.6 | -146.9 | 41.9 | 0 | 0 | 0 | 113.7 | L152 R206 | W61-L152 HydrophobicContact CG-CD1 4.46Å; W61-R206 HydrophobicContact CH2-CG 3.72Å; W61-R206 HydrophobicContact CZ2-CG 3.37Å |
| 62 | N | 57 | Low | 80.9 | Confident | 98 Ų | 98 | 44 Ų | 44 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -153.4 | 40.3 | -172.5 | -72 | -59.7 | 0 | 0 | 0 | 112.9 | D60 H64 | D60-N62 PolarHBondContact OD1-N 2.93Å; N62-H64 VanDerWaalsContact C-N 3.25Å; N62-H64 PolarHBondContact O-N 2.73Å |
| 63 | D | 54.4 | Low | 81.2 | Confident | 89 Ų | 89 | 41.9 Ų | 41.9 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | trans | 52.2 | 41.2 | -179.7 | -68.6 | -49.3 | 0 | 0 | 0 | 113.4 | C9 D60 | C9-D63 PolarHBondContact N-OD1 3.48Å; C9-D63 PolarHBondContact SG-OD1 3.22Å; D60-D63 PolarHBondContact OD1-N 3.05Å | ||
| 64 | H | 58.8 | Low | 81.2 | Confident | 103 Ų | 103 | 36 Ų | 36 | 48% | 0.477 | 20% | 0.204 | S | C | . | . | trans | -72.3 | 158 | 174.5 | -65.4 | 98.4 | 0 | 0 | 0 | 110.5 | D60 N62 S66 Y143 | D60-H64 PolarHBondContact OD1-N 2.83Å; D60-H64 IonicContact OD1-ND1 3.88Å; D60-H64 PolarHBondContact OD2-N 3.01Å; N62-H64 VanDerWaalsContact C-N 3.25Å; N62-H64 PolarHBondContact O-N 2.73Å; H64-S66 WeakPolarHBondContact CB-O 3.35Å; H64-S66 PolarHBondContact O-N 2.81Å; H64-Y143 VanDerWaalsContact O-CE2 3.26Å; H64-Y143 WeakPolarHBondContact O-CE2 2.8Å | ||
| 65 | N | 62.3 | Low | 81 | Confident | 100 Ų | 100 | 38.1 Ų | 38.1 | 54% | 0.535 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -77.7 | 4.8 | 173 | -77.5 | -20.6 | 0 | 0 | 0 | 113.1 | Y143 | N65-Y143 VanDerWaalsContact C-CD2 3.4Å; N65-Y143 WeakPolarHBondContact O-CB 3.1Å; N65-Y143 VanDerWaalsContact O-CD2 3.31Å; N65-Y143 WeakPolarHBondContact O-CD2 3.37Å |
| 66 | S | 70.9 | Confident | 80.8 | Confident | 36 Ų | 36 | 36.5 Ų | 36.5 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | trans | -168.1 | 148.9 | -179.1 | 65.3 | 0 | 0 | 0 | 0 | 111.2 | H64 N140 V141 | H64-S66 WeakPolarHBondContact CB-O 3.35Å; H64-S66 PolarHBondContact O-N 2.81Å; S66-N140 PolarHBondContact OG-ND2 2.94Å; S66-V141 WeakPolarHBondContact CA-O 3.24Å; S66-V141 WeakPolarHBondContact CB-O 3.3Å | ||
| 67 | S | 82.3 | Confident | 80.4 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | trans | -136.6 | 149.8 | 173.7 | 176.4 | 0 | 0 | 0 | 0 | 111 | I59 L69 V141 Y143 | I59-S67 WeakPolarHBondContact O-CB 3.4Å; I59-S67 PolarHBondContact O-OG 3.42Å; S67-L69 PolarHBondContact OG-N 2.7Å; S67-L69 VanDerWaalsContact OG-N 3.16Å; S67-V141 VanDerWaalsContact O-CB 3.26Å; S67-V141 WeakPolarHBondContact O-CB 3.24Å; S67-V141 VanDerWaalsContact O-CG2 3.28Å; S67-V141 WeakPolarHBondContact O-CG2 2.78Å; S67-V141 PolarHBondContact O-N 2.78Å; S67-Y143 VanDerWaalsContact CB-OH 3.23Å; S67-Y143 WeakPolarHBondContact CB-OH 3.45Å; S67-Y143 PolarHBondContact N-OH 2.58Å | ||
| 68 | D | 84.8 | Confident | 79.6 | Confident | 23 Ų | 23 | 34.8 Ų | 34.8 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | trans | -109.4 | 10.7 | 173.4 | 63.9 | -26.5 | 0 | 0 | 0 | 112.7 | K136 L137 | D68-K136 VanDerWaalsContact OD2-CE 3.24Å; D68-K136 WeakPolarHBondContact OD2-CE 3.08Å; D68-K136 IonicContact OD2-NZ 3.63Å; D68-L137 HydrophobicContact CB-CB 4.36Å; D68-L137 WeakPolarHBondContact O-CB 3.39Å; D68-L137 WeakPolarHBondContact O-CG 2.97Å; D68-L137 PolarHBondContact O-N 3.36Å | ||
| 69 | L | 88.7 | Confident | 78.5 | Confident | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.7 | -173.3 | -61.7 | 178.8 | 0 | 0 | 0 | 112.6 | I59 S67 I134 K136 | I59-L69 HydrophobicContact CD1-CB 3.97Å; I59-L69 HydrophobicContact CG1-CB 3.76Å; I59-L69 WeakPolarHBondContact CG1-O 3.29Å; I59-L69 PolarHBondContact N-O 3.35Å; I59-L69 VanDerWaalsContact N-O 3.08Å; S67-L69 PolarHBondContact OG-N 2.7Å; S67-L69 VanDerWaalsContact OG-N 3.16Å; L69-I134 HydrophobicContact CD2-CG2 4.04Å; L69-K136 HydrophobicContact CD2-CB 4.26Å; L69-K136 HydrophobicContact CD2-CD 4.49Å; L69-K136 HydrophobicContact CD2-CG 4.2Å |
| 70 | V | 93.2 | Very high | 77.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.2 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | A41 I43 S57 L58 V96 F98 I134 L135 L137 | A41-V70 HydrophobicContact CB-CG1 4.04Å; I43-V70 HydrophobicContact CD1-CG1 4.48Å; S57-V70 WeakPolarHBondContact O-CA 3.27Å; L58-V70 HydrophobicContact CD1-CG2 4.38Å; V70-V96 HydrophobicContact CG2-CG1 4.28Å; V70-F98 HydrophobicContact CG2-CE1 4.39Å; V70-F98 HydrophobicContact CG2-CZ 3.63Å; V70-I134 CarbonylContact O-C 3.56Å; V70-I134 WeakPolarHBondContact O-CA 3.33Å; V70-L135 HydrophobicContact CB-CB 4.23Å; V70-L135 PolarHBondContact N-O 2.97Å; V70-L135 PolarHBondContact O-N 2.79Å; V70-L137 HydrophobicContact CG2-CD1 3.9Å; V70-L137 HydrophobicContact CG2-CD2 4.12Å; V70-L137 HydrophobicContact CG2-CG 4.11Å |
| 71 | L | 92 | Very high | 76.4 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.8 | 173 | -162 | 68.9 | 0 | 0 | 0 | 109.8 | G56 S57 I59 I132 I134 V198 M205 | G56-L71 CarbonylContact C-O 3.54Å; G56-L71 VanDerWaalsContact CA-O 3.24Å; G56-L71 WeakPolarHBondContact CA-O 2.95Å; S57-L71 PolarHBondContact N-O 3.43Å; S57-L71 PolarHBondContact O-N 2.74Å; I59-L71 HydrophobicContact CG2-CB 3.81Å; I59-L71 HydrophobicContact CG2-CD2 4.48Å; L71-I132 HydrophobicContact CD1-CD1 3.94Å; L71-I132 HydrophobicContact CD1-CG1 3.77Å; L71-I132 HydrophobicContact CD2-CD1 4.28Å; L71-I132 HydrophobicContact CG-CD1 4.38Å; L71-I132 HydrophobicContact CG-CG1 4.26Å; L71-I134 HydrophobicContact CD1-CG1 4.03Å; L71-V198 HydrophobicContact CD2-CG1 4.18Å; L71-V198 HydrophobicContact CD2-CG2 4.02Å; L71-M205 HydrophobicContact CD1-CE 3.83Å; L71-M205 HydrophobicContact CD1-SD 4.36Å |
| 72 | T | 93.2 | Very high | 75.9 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 179.1 | 177.8 | -169.3 | 0 | 0 | 0 | 0 | 110.8 | I43 G55 I132 A133 L135 | I43-T72 HydrophobicContact CD1-CG2 3.82Å; I43-T72 WeakPolarHBondContact CD1-OG1 3.08Å; G55-T72 PolarHBondContact O-OG1 3.07Å; T72-I132 CarbonylContact O-C 3.53Å; T72-I132 WeakPolarHBondContact O-CA 3.48Å; T72-A133 HydrophobicContact CG2-CB 4.14Å; T72-A133 PolarHBondContact N-O 3.49Å; T72-A133 PolarHBondContact O-N 3.43Å; T72-L135 HydrophobicContact CG2-CD1 4.09Å; T72-L135 HydrophobicContact CG2-CD2 4.23Å; T72-L135 HydrophobicContact CG2-CG 3.98Å |
| 73 | A | 89.8 | Confident | 75.4 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 19% | 0.19 | 26% | 0.261 | C | S | . | . | trans | -79.6 | 142.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | H75 C76 D131 | A73-H75 VanDerWaalsContact C-N 3.25Å; A73-H75 WeakPolarHBondContact CB-CE1 3.24Å; A73-H75 WeakPolarHBondContact CB-ND1 3.47Å; A73-H75 PolarHBondContact O-N 3.32Å; A73-C76 WeakPolarHBondContact O-CB 3.14Å; A73-C76 PolarHBondContact O-N 2.78Å; A73-C76 VanDerWaalsContact O-N 3.16Å; A73-D131 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 74 | A | 85.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -63.9 | -34.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C76 V77 I78 P120 F123 D131 A133 | A74-C76 PolarHBondContact O-N 3.01Å; A74-V77 WeakPolarHBondContact O-CG2 3.41Å; A74-V77 PolarHBondContact O-N 3.11Å; A74-V77 VanDerWaalsContact O-N 3.07Å; A74-I78 HydrophobicContact CB-CD1 3.99Å; A74-I78 WeakPolarHBondContact O-CD1 3.17Å; A74-I78 VanDerWaalsContact O-CG1 3.29Å; A74-I78 WeakPolarHBondContact O-CG1 3.43Å; A74-I78 PolarHBondContact O-N 3.38Å; A74-P120 HydrophobicContact CB-CB 4.33Å; A74-F123 HydrophobicContact CB-CB 3.62Å; A74-F123 HydrophobicContact CB-CD2 3.73Å; A74-F123 HydrophobicContact CB-CE2 4.49Å; A74-F123 HydrophobicContact CB-CG 3.72Å; A74-D131 PolarHBondContact N-OD1 2.82Å; A74-A133 HydrophobicContact CB-CB 4.3Å |
| 75 | H | 87 | Confident | 74.3 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 30% | 0.296 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -62.4 | -15.5 | 177.3 | 78.3 | -103.3 | 0 | 0 | 0 | 114.2 | A73 V77 M80 F123 D131 | A73-H75 VanDerWaalsContact C-N 3.25Å; A73-H75 WeakPolarHBondContact CB-CE1 3.24Å; A73-H75 WeakPolarHBondContact CB-ND1 3.47Å; A73-H75 PolarHBondContact O-N 3.32Å; H75-V77 VanDerWaalsContact C-N 3.34Å; H75-M80 HydrophobicContact CB-CE 4.08Å; H75-F123 HydrophobicContact CB-CE1 4.26Å; H75-F123 HydrophobicContact CB-CE2 4.26Å; H75-F123 HydrophobicContact CB-CZ 3.68Å; H75-D131 IonicContact CE1-OD2 2.71Å; H75-D131 IonicContact CG-OD1 2.77Å; H75-D131 IonicContact CG-OD2 3.7Å; H75-D131 PolarHBondContact N-OD1 2.76Å; H75-D131 IonicContact ND1-OD1 3.79Å; H75-D131 PolarHBondContact ND1-OD1 3.09Å; H75-D131 IonicContact ND1-OD2 3.64Å; H75-D131 PolarHBondContact ND1-OD2 3.41Å |
| 76 | C | 88.3 | Confident | 73.7 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.034 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -77.1 | -21.9 | 176.5 | -76.4 | 0 | 0 | 0 | 0 | 113.3 | Y52 C54 A73 A74 | Y52-C76 VanDerWaalsContact CE2-O 3.31Å; Y52-C76 WeakPolarHBondContact CE2-O 3.45Å; Y52-C76 PolarHBondContact OH-O 3.08Å; C54-C76 HydrophobicContact CB-CB 3.59Å; C54-C76 WeakPolarHBondContact CB-SG 3.48Å; C54-C76 VanDerWaalsContact SG-CA 3.56Å; C54-C76 WeakPolarHBondContact SG-CB 3.43Å; C54-C76 CovalentContact SG-SG 2.04Å; C54-C76 PolarHBondContact SG-SG 3.43Å; A73-C76 WeakPolarHBondContact O-CB 3.14Å; A73-C76 PolarHBondContact O-N 2.78Å; A73-C76 VanDerWaalsContact O-N 3.16Å; A74-C76 PolarHBondContact O-N 3.01Å |
| 77 | V | 84.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -125.6 | 14.6 | -172 | -66.5 | 0 | 0 | 0 | 0 | 113.1 | A74 H75 L88 V89 I118 A133 L135 | A74-V77 WeakPolarHBondContact O-CG2 3.41Å; A74-V77 PolarHBondContact O-N 3.11Å; A74-V77 VanDerWaalsContact O-N 3.07Å; H75-V77 VanDerWaalsContact C-N 3.34Å; V77-L88 WeakPolarHBondContact O-CD2 3.36Å; V77-V89 WeakPolarHBondContact O-CG2 3.4Å; V77-V89 PolarHBondContact O-N 3.42Å; V77-I118 HydrophobicContact CB-CD1 4.23Å; V77-I118 HydrophobicContact CB-CG2 3.69Å; V77-I118 HydrophobicContact CG1-CD1 4.39Å; V77-I118 HydrophobicContact CG1-CG2 4.3Å; V77-I118 HydrophobicContact CG2-CG2 3.48Å; V77-I118 VanDerWaalsContact CG2-CG2 3.48Å; V77-A133 HydrophobicContact CG2-CB 3.86Å; V77-L135 HydrophobicContact CG1-CD1 4.47Å; V77-L135 HydrophobicContact CG1-CD2 3.75Å |
| 78 | I | 77.9 | Confident | 72.8 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -106.8 | 124.8 | 172.7 | -71.5 | 168.9 | 0 | 0 | 0 | 107.4 | A74 M80 V86 L88 F123 | A74-I78 HydrophobicContact CB-CD1 3.99Å; A74-I78 WeakPolarHBondContact O-CD1 3.17Å; A74-I78 VanDerWaalsContact O-CG1 3.29Å; A74-I78 WeakPolarHBondContact O-CG1 3.43Å; A74-I78 PolarHBondContact O-N 3.38Å; I78-M80 PolarHBondContact O-N 3.46Å; I78-V86 HydrophobicContact CB-CG1 4.22Å; I78-V86 HydrophobicContact CD1-CG1 3.71Å; I78-V86 HydrophobicContact CG1-CG1 3.83Å; I78-V86 HydrophobicContact CG2-CG1 3.37Å; I78-L88 HydrophobicContact CG1-CD2 3.99Å; I78-F123 HydrophobicContact CD1-CB 3.63Å; I78-F123 HydrophobicContact CD1-CD1 3.21Å; I78-F123 HydrophobicContact CD1-CE1 3.98Å; I78-F123 HydrophobicContact CD1-CG 3.65Å |
| 79 | D | 71.1 | Confident | 72.6 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | trans | -73.9 | 105.7 | 175.3 | -177.5 | -3 | 0 | 0 | 0 | 108.9 | I47 D81 P87 V89 | I47-D79 HydrophobicContact CD1-CB 4.38Å; D79-D81 VanDerWaalsContact C-N 3.29Å; D79-D81 PolarHBondContact O-N 3.13Å; D79-D81 PolarHBondContact OD1-N 3.1Å; D79-P87 HydrophobicContact CB-CG 4.28Å; D79-P87 PolarHBondContact N-O 3.44Å; D79-V89 HydrophobicContact CB-CG2 4.38Å | ||
| 80 | M | 61.5 | Low | 72.2 | Confident | 104 Ų | 104 | 53.4 Ų | 53.4 | 51% | 0.512 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -76.2 | -14.4 | -178 | -62.3 | -167.5 | -149.6 | 0 | 0 | 113.3 | H75 I78 | H75-M80 HydrophobicContact CB-CE 4.08Å; I78-M80 PolarHBondContact O-N 3.46Å |
| 81 | D | 58.2 | Low | 71.7 | Confident | 130 Ų | 130 | 54.7 Ų | 54.7 | 70% | 0.695 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -93.2 | -14.2 | -174.8 | -75.9 | -32.3 | 0 | 0 | 0 | 113.2 | D79 | D79-D81 VanDerWaalsContact C-N 3.29Å; D79-D81 PolarHBondContact O-N 3.13Å; D79-D81 PolarHBondContact OD1-N 3.1Å |
| 82 | A | 52.8 | Low | 71.3 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 35% | 0.347 | 35% | 0.346 | S | S | . | . | trans | -83.8 | 124.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A84 P87 | A82-A84 VanDerWaalsContact C-N 3.32Å; A82-A84 PolarHBondContact O-N 3.23Å; A82-A84 VanDerWaalsContact O-N 3.16Å; A82-P87 HydrophobicContact CB-CB 4.23Å; A82-P87 HydrophobicContact CB-CG 3.29Å | ||
| 83 | K | 47.3 | Very low | 71 | Confident | 218 Ų | 218 | 62.8 Ų | 62.8 | 95% | 0.948 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -79.7 | 10.5 | -162 | -69.3 | -177.4 | 175.7 | 177.6 | 0 | 116.5 | ||
| 84 | A | 42.5 | Very low | 71 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 71% | 0.711 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -154.9 | 126 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A82 | A82-A84 VanDerWaalsContact C-N 3.32Å; A82-A84 PolarHBondContact O-N 3.23Å; A82-A84 VanDerWaalsContact O-N 3.16Å |
| 85 | G | 46.8 | Very low | 71.3 | Confident | 71 Ų | 71 | 65 Ų | 65 | 73% | 0.732 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 79.6 | -178 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | P87 | G85-P87 WeakPolarHBondContact O-CD 3.49Š|
| 86 | V | 50 | Low | 71.6 | Confident | 94 Ų | 94 | 62 Ų | 62 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | trans | -99.1 | 77 | 163.3 | -173.7 | 0 | 0 | 0 | 0 | 105.8 | I78 L88 | I78-V86 HydrophobicContact CB-CG1 4.22Å; I78-V86 HydrophobicContact CD1-CG1 3.71Å; I78-V86 HydrophobicContact CG1-CG1 3.83Å; I78-V86 HydrophobicContact CG2-CG1 3.37Å; V86-L88 PolarHBondContact O-N 2.89Å; V86-L88 VanDerWaalsContact O-N 3.14Å | ||
| 87 | P | 65.5 | Low | 71.9 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 25% | 0.253 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 120.8 | -177.8 | 23.3 | -29.5 | 0 | 0 | 0 | 108.4 | D79 A82 G85 | D79-P87 HydrophobicContact CB-CG 4.28Å; D79-P87 PolarHBondContact N-O 3.44Å; A82-P87 HydrophobicContact CB-CB 4.23Å; A82-P87 HydrophobicContact CB-CG 3.29Å; G85-P87 WeakPolarHBondContact O-CD 3.49Å |
| 88 | L | 67.4 | Low | 72.2 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 37% | 0.366 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -68.6 | 143.7 | 167.3 | -70.2 | 165.3 | 0 | 0 | 0 | 107.8 | V77 I78 V86 I118 P120 | V77-L88 WeakPolarHBondContact O-CD2 3.36Å; I78-L88 HydrophobicContact CG1-CD2 3.99Å; V86-L88 PolarHBondContact O-N 2.89Å; V86-L88 VanDerWaalsContact O-N 3.14Å; L88-I118 HydrophobicContact CD2-CG2 3.92Å; L88-P120 HydrophobicContact CD1-CG 3.88Å; L88-P120 HydrophobicContact CD2-CB 4.06Å; L88-P120 HydrophobicContact CD2-CG 3.53Å; L88-P120 HydrophobicContact CG-CG 4.22Å |
| 89 | V | 80.8 | Confident | 72.7 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.024 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 141.3 | 168.7 | -172.9 | 0 | 0 | 0 | 0 | 108.7 | V45 I47 V77 D79 D93 V94 I118 | V45-V89 HydrophobicContact CG1-CB 4.49Å; V45-V89 HydrophobicContact CG1-CG1 3.75Å; V45-V89 HydrophobicContact CG1-CG2 4.19Å; I47-V89 HydrophobicContact CD1-CB 3.9Å; I47-V89 HydrophobicContact CD1-CG1 3.33Å; I47-V89 HydrophobicContact CD1-CG2 3.34Å; I47-V89 HydrophobicContact CG1-CG1 3.5Å; I47-V89 VanDerWaalsContact CG1-CG1 3.5Å; I47-V89 HydrophobicContact CG1-CG2 4.44Å; V77-V89 WeakPolarHBondContact O-CG2 3.4Å; V77-V89 PolarHBondContact O-N 3.42Å; D79-V89 HydrophobicContact CB-CG2 4.38Å; V89-D93 HydrophobicContact CG1-CB 3.8Å; V89-V94 HydrophobicContact CB-CG2 4.08Å; V89-V94 HydrophobicContact CG1-CG2 3.76Å; V89-I118 VanDerWaalsContact O-CD1 3.3Å; V89-I118 WeakPolarHBondContact O-CD1 3.33Å |
| 90 | H | 81.8 | Confident | 73.5 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 46% | 0.458 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 135 | 177.1 | -161.4 | -101.3 | 0 | 0 | 0 | 109.4 | E92 D93 | H90-E92 IonicContact CE1-OE2 3.58Å; H90-E92 IonicContact ND1-OE2 3.97Å; H90-E92 PolarHBondContact O-N 3.49Å; H90-D93 WeakPolarHBondContact CB-OD2 3.41Å; H90-D93 WeakPolarHBondContact O-CB 3.45Å; H90-D93 PolarHBondContact O-N 3.44Å |
| 91 | P | 81.8 | Confident | 74.6 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -54.3 | -30.9 | -177.2 | -27.6 | 34.3 | 0 | 0 | 0 | 114.2 | D93 V94 V115 I118 | P91-D93 VanDerWaalsContact C-N 3.29Å; P91-D93 PolarHBondContact O-N 3.26Å; P91-V94 PolarHBondContact O-N 3.03Å; P91-V115 HydrophobicContact CB-CG1 4.36Å; P91-V115 VanDerWaalsContact CB-O 3.23Å; P91-V115 WeakPolarHBondContact CB-O 3.35Å; P91-I118 HydrophobicContact CG-CG1 4.36Å |
| 92 | E | 82.8 | Confident | 75.8 | Confident | 143 Ų | 143 | 54.9 Ų | 54.9 | 67% | 0.668 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -67.5 | -25.4 | 177.3 | -62.6 | -177.8 | 169.5 | 0 | 0 | 113.7 | H90 V94 H95 | H90-E92 IonicContact CE1-OE2 3.58Å; H90-E92 IonicContact ND1-OE2 3.97Å; H90-E92 PolarHBondContact O-N 3.49Å; E92-V94 PolarHBondContact O-N 2.87Å; E92-H95 PolarHBondContact O-CE1 3.08Å |
| 93 | D | 87.6 | Confident | 77.1 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 33% | 0.326 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -81.8 | -5.4 | 177.4 | -63.7 | -35.7 | 0 | 0 | 0 | 112.3 | A46 I47 V89 H90 P91 | A46-D93 PolarHBondContact N-O 3.49Å; A46-D93 VanDerWaalsContact N-O 3.1Å; A46-D93 WeakPolarHBondContact O-CB 3.41Å; I47-D93 HydrophobicContact CG1-CB 4.43Å; V89-D93 HydrophobicContact CG1-CB 3.8Å; H90-D93 WeakPolarHBondContact CB-OD2 3.41Å; H90-D93 WeakPolarHBondContact O-CB 3.45Å; H90-D93 PolarHBondContact O-N 3.44Å; P91-D93 VanDerWaalsContact C-N 3.29Å; P91-D93 PolarHBondContact O-N 3.26Å |
| 94 | V | 90.9 | Very high | 78.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 117.7 | -176.6 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | I43 Y44 V45 V89 P91 E92 V115 I118 L135 | I43-V94 HydrophobicContact CG2-CG1 3.71Å; Y44-V94 WeakPolarHBondContact O-CA 3.33Å; V45-V94 HydrophobicContact CG1-CG2 4.48Å; V45-V94 HydrophobicContact CG2-CG1 4.3Å; V45-V94 HydrophobicContact CG2-CG2 4.22Å; V89-V94 HydrophobicContact CB-CG2 4.08Å; V89-V94 HydrophobicContact CG1-CG2 3.76Å; P91-V94 PolarHBondContact O-N 3.03Å; E92-V94 PolarHBondContact O-N 2.87Å; V94-V115 HydrophobicContact CB-CB 4.29Å; V94-V115 HydrophobicContact CB-CG2 4.05Å; V94-V115 HydrophobicContact CG1-CB 4.48Å; V94-V115 HydrophobicContact CG1-CG2 3.75Å; V94-I118 HydrophobicContact CG2-CD1 3.84Å; V94-L135 HydrophobicContact CG1-CD1 4.35Å |
| 95 | H | 90.7 | Very high | 80 | Confident | 71 Ų | 71 | 53.9 Ų | 53.9 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.9 | 177.7 | -70.3 | 63.9 | 0 | 0 | 0 | 110.4 | Y44 E92 Y97 | Y44-H95 PolarHBondContact N-O 2.91Å; Y44-H95 PolarHBondContact O-N 3.28Å; E92-H95 PolarHBondContact O-CE1 3.08Å; H95-Y97 HydrophobicContact CB-CE2 3.73Å |
| 96 | V | 94.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.6 | -179.2 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | A41 I43 V70 F98 I112 Y113 V115 L135 L137 | A41-V96 HydrophobicContact CB-CG1 3.95Å; I43-V96 HydrophobicContact CG1-CG2 4.37Å; V70-V96 HydrophobicContact CG2-CG1 4.28Å; V96-F98 HydrophobicContact CG1-CE1 4.25Å; V96-F98 HydrophobicContact CG1-CE2 3.74Å; V96-F98 HydrophobicContact CG1-CZ 3.59Å; V96-I112 WeakPolarHBondContact O-CA 3.35Å; V96-Y113 PolarHBondContact N-O 2.91Å; V96-Y113 PolarHBondContact O-N 3.01Å; V96-V115 HydrophobicContact CG2-CG2 3.64Å; V96-L135 HydrophobicContact CG2-CD1 4.11Å; V96-L137 HydrophobicContact CB-CD2 3.92Å; V96-L137 HydrophobicContact CG1-CD2 4.48Å; V96-L137 HydrophobicContact CG2-CD2 3.79Å |
| 97 | Y | 92.8 | Very high | 81.3 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.3 | -179.1 | -56.6 | -105.9 | 0 | 0 | 0 | 111.2 | L42 Y44 H95 I100 Q111 I112 | L42-Y97 HydrophobicContact CD2-CD2 4.43Å; L42-Y97 PolarHBondContact N-O 3.19Å; L42-Y97 PolarHBondContact O-N 2.78Å; Y44-Y97 HydrophobicContact CG-CE2 4.41Å; H95-Y97 HydrophobicContact CB-CE2 3.73Å; Y97-I100 HydrophobicContact CD1-CD1 4.37Å; Y97-I100 HydrophobicContact CG-CD1 4.21Å; Y97-Q111 VanDerWaalsContact CA-O 3.31Å; Y97-Q111 WeakPolarHBondContact CA-O 3.45Å; Y97-I112 HydrophobicContact CD1-CB 4.4Å; Y97-I112 HydrophobicContact CD1-CD1 4.08Å; Y97-I112 HydrophobicContact CD1-CG1 3.58Å; Y97-I112 HydrophobicContact CD1-CG2 4.24Å; Y97-I112 HydrophobicContact CE1-CB 4.37Å; Y97-I112 HydrophobicContact CE1-CD1 3.61Å; Y97-I112 HydrophobicContact CE1-CG1 3.59Å; Y97-I112 HydrophobicContact CE1-CG2 3.92Å |
| 98 | F | 92.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 161.3 | 176 | -61.4 | -76.1 | 0 | 0 | 0 | 112.5 | A41 L58 V70 V96 I100 R110 Q111 Y113 L137 V141 V147 | A41-F98 HydrophobicContact CB-CD1 4Å; A41-F98 HydrophobicContact CB-CE1 3.41Å; A41-F98 VanDerWaalsContact CB-CE1 3.41Å; A41-F98 HydrophobicContact CB-CZ 4.11Å; L58-F98 HydrophobicContact CB-CD1 4.44Å; L58-F98 HydrophobicContact CB-CE1 3.73Å; L58-F98 HydrophobicContact CB-CZ 4.3Å; L58-F98 HydrophobicContact CD1-CE1 4.25Å; L58-F98 HydrophobicContact CD1-CZ 3.96Å; L58-F98 HydrophobicContact CD2-CD1 4.41Å; L58-F98 HydrophobicContact CD2-CE1 4.19Å; L58-F98 HydrophobicContact CD2-CZ 4.48Å; L58-F98 HydrophobicContact CG-CE1 4.3Å; L58-F98 HydrophobicContact CG-CZ 4.5Å; V70-F98 HydrophobicContact CG2-CE1 4.39Å; V70-F98 HydrophobicContact CG2-CZ 3.63Å; V96-F98 HydrophobicContact CG1-CE1 4.25Å; V96-F98 HydrophobicContact CG1-CE2 3.74Å; V96-F98 HydrophobicContact CG1-CZ 3.59Å; F98-I100 VanDerWaalsContact C-N 3.33Å; F98-I100 PolarHBondContact O-N 3.04Å; F98-R110 VanDerWaalsContact O-CA 3.27Å; F98-R110 WeakPolarHBondContact O-CA 3.23Å; F98-Q111 PolarHBondContact N-O 3.26Å; F98-Q111 PolarHBondContact O-N 3.48Å; F98-Y113 AromaticContact CD2-CD2 3.74Å; F98-Y113 HydrophobicContact CD2-CD2 3.74Å; F98-Y113 HydrophobicContact CD2-CE2 4.01Å; F98-Y113 AromaticContact CE2-CD2 3.85Å; F98-Y113 HydrophobicContact CE2-CD2 3.85Å; F98-Y113 HydrophobicContact CE2-CE2 4.39Å; F98-L137 HydrophobicContact CE2-CD1 3.78Å; F98-L137 HydrophobicContact CZ-CD1 4.07Å; F98-V141 HydrophobicContact CD2-CG1 4.14Å; F98-V141 HydrophobicContact CD2-CG2 4.11Å; F98-V141 HydrophobicContact CE2-CG1 4.42Å; F98-V141 HydrophobicContact CE2-CG2 3.63Å; F98-V141 HydrophobicContact CZ-CG2 4.22Å; F98-V147 HydrophobicContact CB-CB 4.41Å; F98-V147 HydrophobicContact CB-CG1 3.74Å; F98-V147 HydrophobicContact CB-CG2 3.72Å; F98-V147 HydrophobicContact CD1-CG1 4.44Å; F98-V147 HydrophobicContact CG-CG1 4.09Å |
| 99 | G | 88 | Confident | 81.3 | Confident | 5 Ų | 5 | 61 Ų | 61 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 76.2 | 16.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | H35 T109 | H35-G99 PolarHBondContact CE1-O 2.86Å; H35-G99 VanDerWaalsContact CE1-O 3.28Å; H35-G99 PolarHBondContact ND1-O 2.84Å; G99-T109 WeakPolarHBondContact O-CB 3.28Å; G99-T109 PolarHBondContact O-OG1 2.87Å |
| 100 | I | 87.7 | Confident | 81.3 | Confident | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | trans | -92.8 | 131.8 | -179.9 | -59.9 | 167.1 | 0 | 0 | 0 | 108.6 | L42 Y97 F98 L103 L106 R110 W171 | L42-I100 HydrophobicContact CD2-CD1 4.03Å; Y97-I100 HydrophobicContact CD1-CD1 4.37Å; Y97-I100 HydrophobicContact CG-CD1 4.21Å; F98-I100 VanDerWaalsContact C-N 3.33Å; F98-I100 PolarHBondContact O-N 3.04Å; I100-L103 HydrophobicContact CG2-CD2 4.12Å; I100-L106 HydrophobicContact CD1-CD2 3.64Å; I100-L106 HydrophobicContact CG1-CD2 4.15Å; I100-L106 HydrophobicContact CG2-CD2 4.04Å; I100-R110 HydrophobicContact CG1-CB 4.07Å; I100-W171 HydrophobicContact CB-CZ2 4.28Å; I100-W171 HydrophobicContact CG2-CZ2 4.29Å; I100-W171 WeakPolarHBondContact O-CZ2 3.5Å | ||
| 101 | H | 83.8 | Confident | 81.6 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -108.2 | -48.7 | 166.7 | 171 | 65.6 | 0 | 0 | 0 | 110.7 | A32 P34 W171 C185 L186 | A32-H101 PolarHBondContact O-CE1 2.81Å; P34-H101 HydrophobicContact CB-CB 4.39Å; H101-W171 PolarHBondContact O-NE1 3.13Å; H101-C185 CarbonylContact O-C 3.46Å; H101-C185 WeakPolarHBondContact O-CA 3.42Å; H101-L186 PolarHBondContact O-N 3.49Å |
| 102 | N | 84.1 | Confident | 82 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -113.1 | 116.3 | -179.5 | -175.3 | -25.8 | 0 | 0 | 0 | 110.6 | K104 R105 F184 | N102-K104 PolarHBondContact O-N 3.21Å; N102-K104 VanDerWaalsContact O-N 3.12Å; N102-K104 WeakPolarHBondContact OD1-CB 3.28Å; N102-K104 PolarHBondContact OD1-N 3.33Å; N102-R105 HydrophobicContact CB-CB 4.43Å; N102-R105 CarbonylContact O-C 3.56Å; N102-R105 PolarHBondContact O-N 2.99Å; N102-F184 CarbonylContact C-O 3.56Å; N102-F184 WeakPolarHBondContact CA-O 3.28Å |
| 103 | L | 80.2 | Confident | 82.4 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.147 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -16.4 | 179.6 | -68 | 174.5 | 0 | 0 | 0 | 113.8 | L42 I100 L106 W171 F184 | L42-L103 HydrophobicContact CD2-CD2 3.8Å; I100-L103 HydrophobicContact CG2-CD2 4.12Å; L103-L106 WeakPolarHBondContact O-CG 3.08Å; L103-W171 HydrophobicContact CD1-CB 3.68Å; L103-W171 HydrophobicContact CD1-CD2 4.44Å; L103-W171 HydrophobicContact CD1-CG 3.65Å; L103-W171 HydrophobicContact CD2-CD2 4.48Å; L103-W171 HydrophobicContact CD2-CG 4.45Å; L103-W171 HydrophobicContact CG-CD2 4.49Å; L103-W171 HydrophobicContact CG-CG 3.99Å; L103-F184 PolarHBondContact N-O 3.43Å |
| 104 | K | 78.2 | Confident | 82.5 | Confident | 145 Ų | 145 | 56.6 Ų | 56.6 | 63% | 0.63 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -24.8 | 170.2 | -70 | -174.7 | 172.7 | 176.7 | 0 | 113.3 | N102 F184 | N102-K104 PolarHBondContact O-N 3.21Å; N102-K104 VanDerWaalsContact O-N 3.12Å; N102-K104 WeakPolarHBondContact OD1-CB 3.28Å; N102-K104 PolarHBondContact OD1-N 3.33Å; K104-F184 HydrophobicContact CD-CB 4.41Å; K104-F184 HydrophobicContact CD-CD1 3.95Å; K104-F184 HydrophobicContact CD-CD2 4.19Å; K104-F184 HydrophobicContact CD-CE1 4.28Å; K104-F184 HydrophobicContact CD-CG 3.9Å; K104-F184 VanDerWaalsContact CE-CD1 3.43Å; K104-F184 VanDerWaalsContact CE-CD2 3.49Å; K104-F184 HydrophobicContact CG-CB 4.16Å; K104-F184 HydrophobicContact CG-CD1 3.56Å; K104-F184 HydrophobicContact CG-CE1 4.1Å; K104-F184 HydrophobicContact CG-CG 3.85Å |
| 105 | R | 72.3 | Confident | 82.4 | Confident | 152 Ų | 152 | 57 Ų | 57 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | trans | -110.1 | 54.8 | -177.1 | -72.6 | -178.9 | 70.3 | -170.2 | 1.7 | 111.9 | N102 K107 E108 | N102-R105 HydrophobicContact CB-CB 4.43Å; N102-R105 CarbonylContact O-C 3.56Å; N102-R105 PolarHBondContact O-N 2.99Å; R105-K107 VanDerWaalsContact C-N 3.3Å; R105-K107 PolarHBondContact O-N 2.97Å; R105-E108 IonicContact CZ-OE1 2.71Å; R105-E108 IonicContact CZ-OE2 3.74Å; R105-E108 IonicContact NE-OE1 2.78Å; R105-E108 PolarHBondContact NE-OE1 3.06Å; R105-E108 IonicContact NH2-OE1 2.66Å; R105-E108 PolarHBondContact NH2-OE1 2.71Å; R105-E108 IonicContact NH2-OE2 3.55Å; R105-E108 PolarHBondContact NH2-OE2 3.06Å | ||
| 106 | L | 61.7 | Low | 81.8 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.3 | -172.9 | -70.4 | 166 | 0 | 0 | 0 | 115.6 | I100 L103 R110 | I100-L106 HydrophobicContact CD1-CD2 3.64Å; I100-L106 HydrophobicContact CG1-CD2 4.15Å; I100-L106 HydrophobicContact CG2-CD2 4.04Å; L103-L106 WeakPolarHBondContact O-CG 3.08Å; L106-R110 WeakPolarHBondContact O-CB 3.3Å; L106-R110 VanDerWaalsContact O-CD 3.26Å; L106-R110 WeakPolarHBondContact O-CD 3.41Å; L106-R110 VanDerWaalsContact O-CG 3.29Å; L106-R110 WeakPolarHBondContact O-CG 3.39Å |
| 107 | K | 62 | Low | 81.1 | Confident | 196 Ų | 196 | 57.8 Ų | 57.8 | 85% | 0.852 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -20.3 | -165 | -76.1 | -171.7 | 177 | -178.4 | 0 | 116 | R105 | R105-K107 VanDerWaalsContact C-N 3.3Å; R105-K107 PolarHBondContact O-N 2.97Å |
| 108 | E | 61.4 | Low | 80.7 | Confident | 137 Ų | 137 | 56.7 Ų | 56.7 | 64% | 0.64 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -34.9 | -163.5 | -74 | 174.7 | -157.1 | 0 | 0 | 114.7 | R105 | R105-E108 IonicContact CZ-OE1 2.71Å; R105-E108 IonicContact CZ-OE2 3.74Å; R105-E108 IonicContact NE-OE1 2.78Å; R105-E108 PolarHBondContact NE-OE1 3.06Å; R105-E108 IonicContact NH2-OE1 2.66Å; R105-E108 PolarHBondContact NH2-OE1 2.71Å; R105-E108 IonicContact NH2-OE2 3.55Å; R105-E108 PolarHBondContact NH2-OE2 3.06Å |
| 109 | T | 71.7 | Confident | 80.1 | Confident | 28 Ų | 28 | 57.7 Ų | 57.7 | 17% | 0.172 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | 0.4 | -169.7 | 50 | 0 | 0 | 0 | 0 | 113.8 | H35 G99 Y146 | H35-T109 PolarHBondContact CE1-OG1 2.87Å; G99-T109 WeakPolarHBondContact O-CB 3.28Å; G99-T109 PolarHBondContact O-OG1 2.87Å; T109-Y146 HydrophobicContact CG2-CD1 4.07Å; T109-Y146 HydrophobicContact CG2-CD2 3.92Å; T109-Y146 HydrophobicContact CG2-CE1 4.12Å; T109-Y146 HydrophobicContact CG2-CE2 3.99Å; T109-Y146 HydrophobicContact CG2-CG 3.96Å |
| 110 | R | 80.2 | Confident | 79.6 | Confident | 108 Ų | 108 | 59.1 Ų | 59.1 | 41% | 0.408 | 28% | 0.281 | S | S | . | . | trans | -72.2 | 142.9 | -170.2 | 84.6 | 174.8 | 179 | -178.7 | 3.8 | 113 | F98 I100 L106 I112 | F98-R110 VanDerWaalsContact O-CA 3.27Å; F98-R110 WeakPolarHBondContact O-CA 3.23Å; I100-R110 HydrophobicContact CG1-CB 4.07Å; L106-R110 WeakPolarHBondContact O-CB 3.3Å; L106-R110 VanDerWaalsContact O-CD 3.26Å; L106-R110 WeakPolarHBondContact O-CD 3.41Å; L106-R110 VanDerWaalsContact O-CG 3.29Å; L106-R110 WeakPolarHBondContact O-CG 3.39Å; R110-I112 HydrophobicContact CG-CG1 4.39Å; R110-I112 VanDerWaalsContact CZ-CD1 3.43Å | ||
| 111 | Q | 89 | Confident | 78.7 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143 | 161.9 | -53.3 | -175.9 | 36.9 | 0 | 0 | 109.2 | Y97 F98 Y113 Y142 N144 V147 | Y97-Q111 VanDerWaalsContact CA-O 3.31Å; Y97-Q111 WeakPolarHBondContact CA-O 3.45Å; F98-Q111 PolarHBondContact N-O 3.26Å; F98-Q111 PolarHBondContact O-N 3.48Å; Q111-Y113 HydrophobicContact CB-CD2 4.4Å; Q111-Y113 HydrophobicContact CB-CE2 3.6Å; Q111-Y113 PolarHBondContact OE1-OH 2.86Å; Q111-Y142 PolarHBondContact NE2-O 3.13Å; Q111-Y142 PolarHBondContact OE1-O 3.4Å; Q111-N144 PolarHBondContact NE2-ND2 2.86Å; Q111-N144 VanDerWaalsContact NE2-ND2 3.17Å; Q111-V147 HydrophobicContact CG-CG2 4.43Å |
| 112 | I | 89.3 | Confident | 77.9 | Confident | 53 Ų | 53 | 62.4 Ų | 62.4 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.8 | -177.8 | -48.5 | 172.2 | 0 | 0 | 0 | 109 | V96 Y97 R110 R139 | V96-I112 WeakPolarHBondContact O-CA 3.35Å; Y97-I112 HydrophobicContact CD1-CB 4.4Å; Y97-I112 HydrophobicContact CD1-CD1 4.08Å; Y97-I112 HydrophobicContact CD1-CG1 3.58Å; Y97-I112 HydrophobicContact CD1-CG2 4.24Å; Y97-I112 HydrophobicContact CE1-CB 4.37Å; Y97-I112 HydrophobicContact CE1-CD1 3.61Å; Y97-I112 HydrophobicContact CE1-CG1 3.59Å; Y97-I112 HydrophobicContact CE1-CG2 3.92Å; R110-I112 HydrophobicContact CG-CG1 4.39Å; R110-I112 VanDerWaalsContact CZ-CD1 3.43Å; I112-R139 PolarHBondContact O-NH2 3.49Å |
| 113 | Y | 92.4 | Very high | 76.6 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.5 | 178.5 | -65.9 | -92.8 | 0 | 0 | 0 | 110 | V96 F98 Q111 L137 R139 V141 Y142 | V96-Y113 PolarHBondContact N-O 2.91Å; V96-Y113 PolarHBondContact O-N 3.01Å; F98-Y113 AromaticContact CD2-CD2 3.74Å; F98-Y113 HydrophobicContact CD2-CD2 3.74Å; F98-Y113 HydrophobicContact CD2-CE2 4.01Å; F98-Y113 AromaticContact CE2-CD2 3.85Å; F98-Y113 HydrophobicContact CE2-CD2 3.85Å; F98-Y113 HydrophobicContact CE2-CE2 4.39Å; Q111-Y113 HydrophobicContact CB-CD2 4.4Å; Q111-Y113 HydrophobicContact CB-CE2 3.6Å; Q111-Y113 PolarHBondContact OE1-OH 2.86Å; Y113-L137 HydrophobicContact CD1-CD1 4.47Å; Y113-L137 HydrophobicContact CG-CD1 4.09Å; Y113-R139 HydrophobicContact CD1-CG 3.71Å; Y113-R139 WeakPolarHBondContact CD1-O 2.97Å; Y113-R139 HydrophobicContact CE1-CG 3.67Å; Y113-V141 HydrophobicContact CD1-CG2 4.38Å; Y113-V141 HydrophobicContact CD2-CG2 4.03Å; Y113-V141 HydrophobicContact CE1-CG2 4.16Å; Y113-V141 HydrophobicContact CE2-CB 4.24Å; Y113-V141 HydrophobicContact CE2-CG1 3.98Å; Y113-V141 HydrophobicContact CE2-CG2 3.8Å; Y113-V141 HydrophobicContact CG-CG2 4.33Å; Y113-V141 WeakPolarHBondContact OH-CA 3.43Å; Y113-Y142 PolarHBondContact OH-N 3.23Å |
| 114 | A | 88.8 | Confident | 75.4 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 150.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L137 D138 | A114-L137 CarbonylContact O-C 3.52Å; A114-L137 WeakPolarHBondContact O-CA 3.45Å; A114-D138 HydrophobicContact CB-CB 4.25Å; A114-D138 PolarHBondContact N-OD1 3.3Å; A114-D138 PolarHBondContact O-N 3.28Å |
| 115 | V | 88.2 | Confident | 74.3 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | P91 V94 V96 H117 I118 L135 L137 | P91-V115 HydrophobicContact CB-CG1 4.36Å; P91-V115 VanDerWaalsContact CB-O 3.23Å; P91-V115 WeakPolarHBondContact CB-O 3.35Å; V94-V115 HydrophobicContact CB-CB 4.29Å; V94-V115 HydrophobicContact CB-CG2 4.05Å; V94-V115 HydrophobicContact CG1-CB 4.48Å; V94-V115 HydrophobicContact CG1-CG2 3.75Å; V96-V115 HydrophobicContact CG2-CG2 3.64Å; V115-H117 VanDerWaalsContact CG1-O 3.31Å; V115-H117 WeakPolarHBondContact CG1-O 3.16Å; V115-I118 HydrophobicContact CG1-CG1 3.77Å; V115-L135 HydrophobicContact CG1-CB 4.1Å; V115-L135 HydrophobicContact CG2-CB 4.28Å; V115-L135 HydrophobicContact CG2-CD1 4.3Å; V115-L137 HydrophobicContact CG2-CD2 4.36Å |
| 116 | T | 79.1 | Confident | 73.2 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -35.2 | 175.6 | 59.7 | 0 | 0 | 0 | 0 | 112.2 | K136 D138 | T116-K136 PolarHBondContact N-O 2.84Å; T116-K136 PolarHBondContact OG1-O 3.18Å; T116-K136 VanDerWaalsContact OG1-O 3.1Å; T116-D138 HydrophobicContact CG2-CB 3.86Å |
| 117 | H | 78.9 | Confident | 73 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.5 | 180 | -60.7 | 69.9 | 0 | 0 | 0 | 110.4 | V115 I119 L135 K136 Y214 | V115-H117 VanDerWaalsContact CG1-O 3.31Å; V115-H117 WeakPolarHBondContact CG1-O 3.16Å; H117-I119 HydrophobicContact CB-CG1 4.41Å; H117-L135 WeakPolarHBondContact O-CA 3.49Å; H117-K136 HydrophobicContact CB-CB 4.08Å; H117-K136 PolarHBondContact N-O 3.14Å; H117-K136 PolarHBondContact O-N 3.16Å; H117-Y214 AromaticContact CE1-CD2 3.74Å; H117-Y214 AromaticContact NE2-CD2 3.5Å; H117-Y214 WeakPolarHBondContact NE2-CD2 3.3Å |
| 118 | I | 84.7 | Confident | 72.9 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.092 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.2 | 171.3 | -57.2 | -176.2 | 0 | 0 | 0 | 106.7 | V77 L88 V89 P91 V94 V115 P120 L135 | V77-I118 HydrophobicContact CB-CD1 4.23Å; V77-I118 HydrophobicContact CB-CG2 3.69Å; V77-I118 HydrophobicContact CG1-CD1 4.39Å; V77-I118 HydrophobicContact CG1-CG2 4.3Å; V77-I118 HydrophobicContact CG2-CG2 3.48Å; V77-I118 VanDerWaalsContact CG2-CG2 3.48Å; L88-I118 HydrophobicContact CD2-CG2 3.92Å; V89-I118 VanDerWaalsContact O-CD1 3.3Å; V89-I118 WeakPolarHBondContact O-CD1 3.33Å; P91-I118 HydrophobicContact CG-CG1 4.36Å; V94-I118 HydrophobicContact CG2-CD1 3.84Å; V115-I118 HydrophobicContact CG1-CG1 3.77Å; I118-P120 WeakPolarHBondContact O-CD 3.47Å; I118-L135 HydrophobicContact CB-CD2 4.27Å; I118-L135 HydrophobicContact CG1-CD2 3.98Å; I118-L135 HydrophobicContact CG2-CD2 3.89Å |
| 119 | I | 79.2 | Confident | 73 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 88 | -177.5 | -50.3 | 171.2 | 0 | 0 | 0 | 107.9 | H117 A133 I134 W204 A208 | H117-I119 HydrophobicContact CB-CG1 4.41Å; I119-A133 CarbonylContact O-C 3.46Å; I119-A133 WeakPolarHBondContact O-CA 3.39Å; I119-I134 HydrophobicContact CB-CB 4.42Å; I119-I134 PolarHBondContact N-O 2.72Å; I119-I134 PolarHBondContact O-N 3.15Å; I119-W204 HydrophobicContact CG2-CZ2 4.2Å; I119-A208 HydrophobicContact CG2-CB 4.1Å |
| 120 | P | 77.7 | Confident | 73.1 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 147.7 | 173.5 | 37.1 | -39.7 | 0 | 0 | 0 | 109.7 | A74 L88 I118 A133 W204 | A74-P120 HydrophobicContact CB-CB 4.33Å; L88-P120 HydrophobicContact CD1-CG 3.88Å; L88-P120 HydrophobicContact CD2-CB 4.06Å; L88-P120 HydrophobicContact CD2-CG 3.53Å; L88-P120 HydrophobicContact CG-CG 4.22Å; I118-P120 WeakPolarHBondContact O-CD 3.47Å; P120-A133 HydrophobicContact CB-CB 4.29Å; P120-W204 VanDerWaalsContact C-CZ2 3.48Å |
| 121 | A | 70.1 | Confident | 73.3 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | trans | -67.1 | 167.3 | 156 | 0 | 0 | 0 | 0 | 0 | 108.3 | F123 N130 I132 Y201 W204 | A121-F123 PolarHBondContact O-N 3.45Å; A121-N130 HydrophobicContact CB-CB 3.86Å; A121-I132 HydrophobicContact CB-CG2 3.51Å; A121-I132 WeakPolarHBondContact CB-O 3.36Å; A121-I132 PolarHBondContact N-O 3.37Å; A121-Y201 HydrophobicContact CB-CE1 4.47Å; A121-W204 VanDerWaalsContact CA-CZ2 3.47Å; A121-W204 HydrophobicContact CB-CD2 4.27Å; A121-W204 HydrophobicContact CB-CH2 4.04Å; A121-W204 HydrophobicContact CB-CZ2 3.72Å; A121-W204 HydrophobicContact CB-CZ3 4.45Å | ||
| 122 | T | 67.3 | Low | 73.2 | Confident | 104 Ų | 104 | 49 Ų | 49 | 64% | 0.638 | 26% | 0.259 | S | S | * | . | trans | -63.6 | 81.4 | 177.4 | 42 | 0 | 0 | 0 | 0 | 110.6 | H124 N130 | T122-H124 PolarHBondContact O-CD2 3.27Å; T122-H124 VanDerWaalsContact O-CD2 3.24Å; T122-H124 PolarHBondContact O-NE2 2.96Å; T122-N130 VanDerWaalsContact O-CB 3.24Å; T122-N130 WeakPolarHBondContact O-CB 3.36Å; T122-N130 PolarHBondContact O-ND2 3.17Å; T122-N130 PolarHBondContact OG1-ND2 2.89Å | ||
| 123 | F | 56.3 | Low | 73.2 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | trans | -71.3 | 130.1 | -172.9 | 175.4 | -112.7 | 0 | 0 | 0 | 110.2 | A74 H75 I78 A121 E125 K128 D131 | A74-F123 HydrophobicContact CB-CB 3.62Å; A74-F123 HydrophobicContact CB-CD2 3.73Å; A74-F123 HydrophobicContact CB-CE2 4.49Å; A74-F123 HydrophobicContact CB-CG 3.72Å; H75-F123 HydrophobicContact CB-CE1 4.26Å; H75-F123 HydrophobicContact CB-CE2 4.26Å; H75-F123 HydrophobicContact CB-CZ 3.68Å; I78-F123 HydrophobicContact CD1-CB 3.63Å; I78-F123 HydrophobicContact CD1-CD1 3.21Å; I78-F123 HydrophobicContact CD1-CE1 3.98Å; I78-F123 HydrophobicContact CD1-CG 3.65Å; A121-F123 PolarHBondContact O-N 3.45Å; F123-E125 HydrophobicContact CD1-CB 4.43Å; F123-E125 VanDerWaalsContact CE1-CA 3.46Å; F123-E125 HydrophobicContact CE1-CB 3.87Å; F123-E125 HydrophobicContact CE1-CG 4.01Å; F123-E125 HydrophobicContact CZ-CB 4.49Å; F123-K128 HydrophobicContact CE2-CD 3.91Å; F123-K128 HydrophobicContact CZ-CD 3.74Å; F123-D131 HydrophobicContact CD2-CB 3.91Å; F123-D131 HydrophobicContact CE2-CB 3.65Å; F123-D131 VanDerWaalsContact CE2-CG 3.48Å; F123-D131 WeakPolarHBondContact CE2-OD1 3.37Å | ||
| 124 | H | 55.8 | Low | 73 | Confident | 88 Ų | 88 | 46 Ų | 46 | 41% | 0.407 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -110.9 | 98 | 176.7 | -64.6 | -63 | 0 | 0 | 0 | 108.7 | T122 F126 N127 K128 A129 | T122-H124 PolarHBondContact O-CD2 3.27Å; T122-H124 VanDerWaalsContact O-CD2 3.24Å; T122-H124 PolarHBondContact O-NE2 2.96Å; H124-F126 PolarHBondContact O-N 3.33Å; H124-N127 WeakPolarHBondContact CB-OD1 3.32Å; H124-N127 PolarHBondContact O-N 3.38Å; H124-N127 PolarHBondContact O-OD1 2.87Å; H124-K128 WeakPolarHBondContact O-CA 3.33Å; H124-K128 PolarHBondContact O-N 2.98Å; H124-A129 HydrophobicContact CB-CB 4.29Å; H124-A129 PolarHBondContact N-O 3.06Å |
| 125 | E | 53.3 | Low | 73 | Confident | 88 Ų | 88 | 44 Ų | 44 | 41% | 0.411 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -38.6 | -170.4 | -163.6 | -168.3 | 158.2 | 0 | 0 | 114.1 | F123 K128 | F123-E125 HydrophobicContact CD1-CB 4.43Å; F123-E125 VanDerWaalsContact CE1-CA 3.46Å; F123-E125 HydrophobicContact CE1-CB 3.87Å; F123-E125 HydrophobicContact CE1-CG 4.01Å; F123-E125 HydrophobicContact CZ-CB 4.49Å; E125-K128 WeakPolarHBondContact O-CD 3.29Å; E125-K128 WeakPolarHBondContact O-CE 3.08Å |
| 126 | F | 50.1 | Low | 72.9 | Confident | 155 Ų | 155 | 45.6 Ų | 45.6 | 68% | 0.68 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -29.3 | -170.4 | -55.6 | -96.3 | 0 | 0 | 0 | 115.8 | H124 K1945 | H124-F126 PolarHBondContact O-N 3.33Å; F126-K1945 HydrophobicContact CB-CD 4.02Å; F126-K1945 VanDerWaalsContact CB-NZ 3.26Å; F126-K1945 HydrophobicContact CD1-CD 4.25Å; F126-K1945 HydrophobicContact CD2-CD 3.71Å; F126-K1945 HydrophobicContact CE2-CD 4.19Å; F126-K1945 HydrophobicContact CG-CD 3.73Å |
| 127 | N | 57 | Low | 73.4 | Confident | 103 Ų | 103 | 43.5 Ų | 43.5 | 55% | 0.551 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 1.8 | 173.7 | 65.4 | -13.8 | 0 | 0 | 0 | 111.8 | H124 A129 | H124-N127 WeakPolarHBondContact CB-OD1 3.32Å; H124-N127 PolarHBondContact O-N 3.38Å; H124-N127 PolarHBondContact O-OD1 2.87Å; N127-A129 VanDerWaalsContact CG-CB 3.48Å; N127-A129 WeakPolarHBondContact ND2-CB 3.29Å; N127-A129 PolarHBondContact O-N 3.43Å; N127-A129 WeakPolarHBondContact OD1-CB 3.46Å; N127-A129 PolarHBondContact OD1-N 2.85Å |
| 128 | K | 60.9 | Low | 73.5 | Confident | 93 Ų | 93 | 44.6 Ų | 44.6 | 40% | 0.404 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 26.8 | -170.9 | -54.5 | -65.6 | -178.3 | -176.3 | 0 | 111.9 | F123 H124 E125 D131 | F123-K128 HydrophobicContact CE2-CD 3.91Å; F123-K128 HydrophobicContact CZ-CD 3.74Å; H124-K128 WeakPolarHBondContact O-CA 3.33Å; H124-K128 PolarHBondContact O-N 2.98Å; E125-K128 WeakPolarHBondContact O-CD 3.29Å; E125-K128 WeakPolarHBondContact O-CE 3.08Å; K128-D131 HydrophobicContact CB-CB 4.34Å; K128-D131 VanDerWaalsContact O-CB 3.29Å; K128-D131 WeakPolarHBondContact O-CB 3.01Å; K128-D131 PolarHBondContact O-N 3.17Å |
| 129 | A | 64 | Low | 73.5 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 26% | 0.256 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | -69.7 | 144.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | H124 N127 D131 | H124-A129 HydrophobicContact CB-CB 4.29Å; H124-A129 PolarHBondContact N-O 3.06Å; N127-A129 VanDerWaalsContact CG-CB 3.48Å; N127-A129 WeakPolarHBondContact ND2-CB 3.29Å; N127-A129 PolarHBondContact O-N 3.43Å; N127-A129 WeakPolarHBondContact OD1-CB 3.46Å; N127-A129 PolarHBondContact OD1-N 2.85Å; A129-D131 PolarHBondContact O-N 2.94Å |
| 130 | N | 72.4 | Confident | 73.6 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 36.4 | -174.2 | -48.7 | -38.7 | 0 | 0 | 0 | 112.6 | A121 T122 I132 Y201 | A121-N130 HydrophobicContact CB-CB 3.86Å; T122-N130 VanDerWaalsContact O-CB 3.24Å; T122-N130 WeakPolarHBondContact O-CB 3.36Å; T122-N130 PolarHBondContact O-ND2 3.17Å; T122-N130 PolarHBondContact OG1-ND2 2.89Å; N130-I132 PolarHBondContact O-N 2.56Å; N130-Y201 WeakPolarHBondContact CA-OH 3.31Å; N130-Y201 HydrophobicContact CB-CE1 4.3Å; N130-Y201 PolarHBondContact OD1-OH 2.86Å; N130-Y201 VanDerWaalsContact OD1-OH 3.05Å |
| 131 | D | 84.9 | Confident | 74.1 | Confident | 24 Ų | 24 | 51.8 Ų | 51.8 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | trans | -73.8 | 67.3 | 172.9 | -164.1 | 13.3 | 0 | 0 | 0 | 111 | A73 A74 H75 F123 K128 A129 | A73-D131 WeakPolarHBondContact CB-OD1 3.49Å; A74-D131 PolarHBondContact N-OD1 2.82Å; H75-D131 IonicContact CE1-OD2 2.71Å; H75-D131 IonicContact CG-OD1 2.77Å; H75-D131 IonicContact CG-OD2 3.7Å; H75-D131 PolarHBondContact N-OD1 2.76Å; H75-D131 IonicContact ND1-OD1 3.79Å; H75-D131 PolarHBondContact ND1-OD1 3.09Å; H75-D131 IonicContact ND1-OD2 3.64Å; H75-D131 PolarHBondContact ND1-OD2 3.41Å; F123-D131 HydrophobicContact CD2-CB 3.91Å; F123-D131 HydrophobicContact CE2-CB 3.65Å; F123-D131 VanDerWaalsContact CE2-CG 3.48Å; F123-D131 WeakPolarHBondContact CE2-OD1 3.37Å; K128-D131 HydrophobicContact CB-CB 4.34Å; K128-D131 VanDerWaalsContact O-CB 3.29Å; K128-D131 WeakPolarHBondContact O-CB 3.01Å; K128-D131 PolarHBondContact O-N 3.17Å; A129-D131 PolarHBondContact O-N 2.94Å | ||
| 132 | I | 87.8 | Confident | 74.6 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | trans | -149.3 | 135.4 | -178.7 | -167.2 | 169.9 | 0 | 0 | 0 | 109.3 | L71 T72 A121 N130 T196 V198 Y201 W204 | L71-I132 HydrophobicContact CD1-CD1 3.94Å; L71-I132 HydrophobicContact CD1-CG1 3.77Å; L71-I132 HydrophobicContact CD2-CD1 4.28Å; L71-I132 HydrophobicContact CG-CD1 4.38Å; L71-I132 HydrophobicContact CG-CG1 4.26Å; T72-I132 CarbonylContact O-C 3.53Å; T72-I132 WeakPolarHBondContact O-CA 3.48Å; A121-I132 HydrophobicContact CB-CG2 3.51Å; A121-I132 WeakPolarHBondContact CB-O 3.36Å; A121-I132 PolarHBondContact N-O 3.37Å; N130-I132 PolarHBondContact O-N 2.56Å; I132-T196 HydrophobicContact CB-CG2 4.2Å; I132-T196 HydrophobicContact CD1-CG2 4.33Å; I132-V198 HydrophobicContact CD1-CG2 4.47Å; I132-Y201 HydrophobicContact CD1-CD2 4.14Å; I132-Y201 HydrophobicContact CD1-CG 4.09Å; I132-Y201 HydrophobicContact CG2-CD1 3.69Å; I132-Y201 HydrophobicContact CG2-CD2 4.47Å; I132-Y201 HydrophobicContact CG2-CE1 3.71Å; I132-Y201 HydrophobicContact CG2-CG 4.08Å; I132-W204 HydrophobicContact CG1-CZ3 4.39Å; I132-W204 HydrophobicContact CG2-CH2 4.43Å; I132-W204 HydrophobicContact CG2-CZ3 4.11Å | ||
| 133 | A | 88.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 150.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T72 A74 V77 I119 P120 | T72-A133 HydrophobicContact CG2-CB 4.14Å; T72-A133 PolarHBondContact N-O 3.49Å; T72-A133 PolarHBondContact O-N 3.43Å; A74-A133 HydrophobicContact CB-CB 4.3Å; V77-A133 HydrophobicContact CG2-CB 3.86Å; I119-A133 CarbonylContact O-C 3.46Å; I119-A133 WeakPolarHBondContact O-CA 3.39Å; P120-A133 HydrophobicContact CB-CB 4.29Å |
| 134 | I | 87.6 | Confident | 76.9 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.1 | 172.6 | -57.4 | 172.7 | 0 | 0 | 0 | 108.1 | L69 V70 L71 I119 W204 M205 | L69-I134 HydrophobicContact CD2-CG2 4.04Å; V70-I134 CarbonylContact O-C 3.56Å; V70-I134 WeakPolarHBondContact O-CA 3.33Å; L71-I134 HydrophobicContact CD1-CG1 4.03Å; I119-I134 HydrophobicContact CB-CB 4.42Å; I119-I134 PolarHBondContact N-O 2.72Å; I119-I134 PolarHBondContact O-N 3.15Å; I134-W204 HydrophobicContact CD1-CH2 4.08Å; I134-W204 HydrophobicContact CD1-CZ3 4Å; I134-W204 HydrophobicContact CG1-CH2 3.9Å; I134-W204 HydrophobicContact CG1-CZ3 4.03Å; I134-M205 HydrophobicContact CD1-CB 4.1Å; I134-M205 HydrophobicContact CD1-CE 4.2Å; I134-M205 HydrophobicContact CD1-CG 3.97Å |
| 135 | L | 90.2 | Very high | 78.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.6 | 168.1 | -45.1 | -179.8 | 0 | 0 | 0 | 108.5 | I43 V70 T72 V77 V94 V96 V115 H117 I118 | I43-L135 HydrophobicContact CD1-CD1 3.76Å; I43-L135 HydrophobicContact CG1-CD1 4.12Å; I43-L135 HydrophobicContact CG2-CD1 4.23Å; V70-L135 HydrophobicContact CB-CB 4.23Å; V70-L135 PolarHBondContact N-O 2.97Å; V70-L135 PolarHBondContact O-N 2.79Å; T72-L135 HydrophobicContact CG2-CD1 4.09Å; T72-L135 HydrophobicContact CG2-CD2 4.23Å; T72-L135 HydrophobicContact CG2-CG 3.98Å; V77-L135 HydrophobicContact CG1-CD1 4.47Å; V77-L135 HydrophobicContact CG1-CD2 3.75Å; V94-L135 HydrophobicContact CG1-CD1 4.35Å; V96-L135 HydrophobicContact CG2-CD1 4.11Å; V115-L135 HydrophobicContact CG1-CB 4.1Å; V115-L135 HydrophobicContact CG2-CB 4.28Å; V115-L135 HydrophobicContact CG2-CD1 4.3Å; H117-L135 WeakPolarHBondContact O-CA 3.49Å; I118-L135 HydrophobicContact CB-CD2 4.27Å; I118-L135 HydrophobicContact CG1-CD2 3.98Å; I118-L135 HydrophobicContact CG2-CD2 3.89Å |
| 136 | K | 85.6 | Confident | 79.7 | Confident | 40 Ų | 40 | 56 Ų | 56 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.5 | 171 | -173 | 161.5 | -175.7 | 160.9 | 0 | 109.5 | D68 L69 T116 H117 N266 | D68-K136 VanDerWaalsContact OD2-CE 3.24Å; D68-K136 WeakPolarHBondContact OD2-CE 3.08Å; D68-K136 IonicContact OD2-NZ 3.63Å; L69-K136 HydrophobicContact CD2-CB 4.26Å; L69-K136 HydrophobicContact CD2-CD 4.49Å; L69-K136 HydrophobicContact CD2-CG 4.2Å; T116-K136 PolarHBondContact N-O 2.84Å; T116-K136 PolarHBondContact OG1-O 3.18Å; T116-K136 VanDerWaalsContact OG1-O 3.1Å; H117-K136 HydrophobicContact CB-CB 4.08Å; H117-K136 PolarHBondContact N-O 3.14Å; H117-K136 PolarHBondContact O-N 3.16Å; K136-N266 PolarHBondContact NZ-OD1 3.21Å; K136-N266 VanDerWaalsContact NZ-OD1 3.16Å |
| 137 | L | 89.5 | Confident | 81.5 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 162.2 | -179.7 | -56.3 | 178.7 | 0 | 0 | 0 | 111.1 | D68 V70 V96 F98 Y113 A114 V115 R139 V141 | D68-L137 HydrophobicContact CB-CB 4.36Å; D68-L137 WeakPolarHBondContact O-CB 3.39Å; D68-L137 WeakPolarHBondContact O-CG 2.97Å; D68-L137 PolarHBondContact O-N 3.36Å; V70-L137 HydrophobicContact CG2-CD1 3.9Å; V70-L137 HydrophobicContact CG2-CD2 4.12Å; V70-L137 HydrophobicContact CG2-CG 4.11Å; V96-L137 HydrophobicContact CB-CD2 3.92Å; V96-L137 HydrophobicContact CG1-CD2 4.48Å; V96-L137 HydrophobicContact CG2-CD2 3.79Å; F98-L137 HydrophobicContact CE2-CD1 3.78Å; F98-L137 HydrophobicContact CZ-CD1 4.07Å; Y113-L137 HydrophobicContact CD1-CD1 4.47Å; Y113-L137 HydrophobicContact CG-CD1 4.09Å; A114-L137 CarbonylContact O-C 3.52Å; A114-L137 WeakPolarHBondContact O-CA 3.45Å; V115-L137 HydrophobicContact CG2-CD2 4.36Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 3.06Å; L137-V141 HydrophobicContact CD1-CG2 3.39Å |
| 138 | D | 81.7 | Confident | 83.1 | Confident | 65 Ų | 65 | 44.6 Ų | 44.6 | 35% | 0.348 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -70.7 | -21.5 | -179.7 | 67.4 | -49.8 | 0 | 0 | 0 | 114.3 | A114 T116 | A114-D138 HydrophobicContact CB-CB 4.25Å; A114-D138 PolarHBondContact N-OD1 3.3Å; A114-D138 PolarHBondContact O-N 3.28Å; T116-D138 HydrophobicContact CG2-CB 3.86Å |
| 139 | R | 83.6 | Confident | 84.4 | Confident | 135 Ų | 135 | 40.2 Ų | 40.2 | 51% | 0.509 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -158.2 | 160.9 | 179.2 | 47.6 | 168.6 | -172.9 | -88.9 | 1.2 | 110 | I112 Y113 L137 | I112-R139 PolarHBondContact O-NH2 3.49Å; Y113-R139 HydrophobicContact CD1-CG 3.71Å; Y113-R139 WeakPolarHBondContact CD1-O 2.97Å; Y113-R139 HydrophobicContact CE1-CG 3.67Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 3.06Å |
| 140 | N | 81.9 | Confident | 85.6 | Confident | 90 Ų | 90 | 41.2 Ų | 41.2 | 48% | 0.481 | 19% | 0.186 | S | C | . | . | trans | -59.8 | 137.8 | 176.8 | -71.8 | -0.5 | 0 | 0 | 0 | 112.1 | S66 | S66-N140 PolarHBondContact OG-ND2 2.94Š| ||
| 141 | V | 87.4 | Confident | 86 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -73.1 | 128.9 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | L58 S66 S67 F98 Y113 L137 Y143 V147 | L58-V141 HydrophobicContact CD1-CB 4.26Å; L58-V141 HydrophobicContact CD1-CG2 3.87Å; L58-V141 HydrophobicContact CD2-CB 4.01Å; L58-V141 HydrophobicContact CD2-CG1 3.78Å; L58-V141 HydrophobicContact CD2-CG2 4.32Å; S66-V141 WeakPolarHBondContact CA-O 3.24Å; S66-V141 WeakPolarHBondContact CB-O 3.3Å; S67-V141 VanDerWaalsContact O-CB 3.26Å; S67-V141 WeakPolarHBondContact O-CB 3.24Å; S67-V141 VanDerWaalsContact O-CG2 3.28Å; S67-V141 WeakPolarHBondContact O-CG2 2.78Å; S67-V141 PolarHBondContact O-N 2.78Å; F98-V141 HydrophobicContact CD2-CG1 4.14Å; F98-V141 HydrophobicContact CD2-CG2 4.11Å; F98-V141 HydrophobicContact CE2-CG1 4.42Å; F98-V141 HydrophobicContact CE2-CG2 3.63Å; F98-V141 HydrophobicContact CZ-CG2 4.22Å; Y113-V141 HydrophobicContact CD1-CG2 4.38Å; Y113-V141 HydrophobicContact CD2-CG2 4.03Å; Y113-V141 HydrophobicContact CE1-CG2 4.16Å; Y113-V141 HydrophobicContact CE2-CB 4.24Å; Y113-V141 HydrophobicContact CE2-CG1 3.98Å; Y113-V141 HydrophobicContact CE2-CG2 3.8Å; Y113-V141 HydrophobicContact CG-CG2 4.33Å; Y113-V141 WeakPolarHBondContact OH-CA 3.43Å; L137-V141 HydrophobicContact CD1-CG2 3.39Å; V141-Y143 PolarHBondContact O-N 3.24Å; V141-V147 HydrophobicContact CG1-CG1 3.45Å; V141-V147 VanDerWaalsContact CG1-CG1 3.45Å | ||
| 142 | Y | 81.7 | Confident | 85.6 | Confident | 136 Ų | 136 | 42.6 Ų | 42.6 | 53% | 0.533 | 20% | 0.197 | S | C | . | . | trans | -79 | 110.2 | 179 | 178.3 | -101.1 | 0 | 0 | 0 | 110.1 | Q111 Y113 N144 | Q111-Y142 PolarHBondContact NE2-O 3.13Å; Q111-Y142 PolarHBondContact OE1-O 3.4Å; Y113-Y142 PolarHBondContact OH-N 3.23Å; Y142-N144 HydrophobicContact CD1-CB 4.3Å; Y142-N144 HydrophobicContact CE1-CB 4.03Å | ||
| 143 | Y | 85.8 | Confident | 84.8 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 7% | 0.071 | 21% | 0.211 | C | C | . | . | trans | -71.1 | 135.5 | 178.1 | -69.2 | -0.6 | 0 | 0 | 0 | 111.6 | A7 L58 D60 H64 N65 S67 V141 V147 | A7-Y143 HydrophobicContact CB-CD2 3.64Å; A7-Y143 HydrophobicContact CB-CE2 4.44Å; A7-Y143 HydrophobicContact CB-CG 4.5Å; L58-Y143 HydrophobicContact CD2-CD1 4.3Å; L58-Y143 HydrophobicContact CD2-CE1 3.61Å; L58-Y143 HydrophobicContact CG-CE1 4.32Å; D60-Y143 VanDerWaalsContact OD2-CE2 3.32Å; D60-Y143 WeakPolarHBondContact OD2-CE2 3.32Å; D60-Y143 PolarHBondContact OD2-OH 2.04Å; H64-Y143 VanDerWaalsContact O-CE2 3.26Å; H64-Y143 WeakPolarHBondContact O-CE2 2.8Å; N65-Y143 VanDerWaalsContact C-CD2 3.4Å; N65-Y143 WeakPolarHBondContact O-CB 3.1Å; N65-Y143 VanDerWaalsContact O-CD2 3.31Å; N65-Y143 WeakPolarHBondContact O-CD2 3.37Å; S67-Y143 VanDerWaalsContact CB-OH 3.23Å; S67-Y143 WeakPolarHBondContact CB-OH 3.45Å; S67-Y143 PolarHBondContact N-OH 2.58Å; V141-Y143 PolarHBondContact O-N 3.24Å; Y143-V147 CarbonylContact C-O 3.52Å; Y143-V147 WeakPolarHBondContact CA-O 3.39Å | ||
| 144 | N | 84.9 | Confident | 83.7 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | -149.8 | -168.2 | 175.2 | 67 | 33.2 | 0 | 0 | 0 | 109.9 | Q111 Y142 Y146 V147 Q148 | Q111-N144 PolarHBondContact NE2-ND2 2.86Å; Q111-N144 VanDerWaalsContact NE2-ND2 3.17Å; Y142-N144 HydrophobicContact CD1-CB 4.3Å; Y142-N144 HydrophobicContact CE1-CB 4.03Å; N144-Y146 PolarHBondContact O-N 2.93Å; N144-Y146 VanDerWaalsContact O-N 3.09Å; N144-Y146 WeakPolarHBondContact OD1-CA 3.3Å; N144-Y146 WeakPolarHBondContact OD1-CB 3.27Å; N144-Y146 PolarHBondContact OD1-N 3.39Å; N144-V147 PolarHBondContact N-O 3.03Å; N144-V147 PolarHBondContact O-N 2.58Å; N144-V147 PolarHBondContact OD1-N 2.87Å; N144-V147 VanDerWaalsContact OD1-N 3.08Å; N144-Q148 WeakPolarHBondContact O-CG 3.3Å |
| 145 | K | 81.6 | Confident | 82.2 | Confident | 103 Ų | 103 | 50.9 Ų | 50.9 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.4 | -178.6 | -60.2 | -175.1 | 179.7 | -168.4 | 0 | 114.1 | Y13 F14 | Y13-K145 HydrophobicContact CD1-CB 4.29Å; Y13-K145 HydrophobicContact CD1-CD 4.39Å; Y13-K145 HydrophobicContact CD1-CG 4.49Å; Y13-K145 HydrophobicContact CD2-CB 4.41Å; Y13-K145 HydrophobicContact CD2-CD 4.29Å; Y13-K145 HydrophobicContact CD2-CG 4Å; Y13-K145 HydrophobicContact CE1-CD 4.04Å; Y13-K145 HydrophobicContact CE2-CD 3.9Å; Y13-K145 HydrophobicContact CE2-CG 4.07Å; Y13-K145 HydrophobicContact CG-CB 4.13Å; Y13-K145 HydrophobicContact CG-CG 4.21Å; Y13-K145 PolarHBondContact OH-NZ 2.95Å; F14-K145 HydrophobicContact CE2-CB 4.36Å; F14-K145 VanDerWaalsContact CE2-O 3.31Å; F14-K145 WeakPolarHBondContact CE2-O 3.5Å |
| 146 | Y | 86.3 | Confident | 80.6 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -14.3 | -174.1 | -46 | -70.6 | 0 | 0 | 0 | 113.2 | F14 H35 T109 N144 | F14-Y146 AromaticContact CE2-CD1 3.88Å; F14-Y146 HydrophobicContact CE2-CD1 3.88Å; F14-Y146 AromaticContact CE2-CE1 3.95Å; F14-Y146 HydrophobicContact CE2-CE1 3.95Å; F14-Y146 HydrophobicContact CZ-CD1 4.41Å; F14-Y146 HydrophobicContact CZ-CE1 4Å; H35-Y146 HydrophobicContact CB-CD1 4.08Å; H35-Y146 AromaticContact CD2-CD1 3.68Å; H35-Y146 AromaticContact CE1-CD1 3.94Å; H35-Y146 AromaticContact CG-CD1 3.57Å; H35-Y146 AromaticContact ND1-CD1 3.75Å; H35-Y146 AromaticContact NE2-CD1 3.93Å; T109-Y146 HydrophobicContact CG2-CD1 4.07Å; T109-Y146 HydrophobicContact CG2-CD2 3.92Å; T109-Y146 HydrophobicContact CG2-CE1 4.12Å; T109-Y146 HydrophobicContact CG2-CE2 3.99Å; T109-Y146 HydrophobicContact CG2-CG 3.96Å; N144-Y146 PolarHBondContact O-N 2.93Å; N144-Y146 VanDerWaalsContact O-N 3.09Å; N144-Y146 WeakPolarHBondContact OD1-CA 3.3Å; N144-Y146 WeakPolarHBondContact OD1-CB 3.27Å; N144-Y146 PolarHBondContact OD1-N 3.39Å |
| 147 | V | 89.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -138.5 | 118.1 | -176.4 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | P38 L58 F98 Q111 V141 Y143 N144 | P38-V147 WeakPolarHBondContact O-CA 3.49Å; L58-V147 HydrophobicContact CD2-CG1 3.97Å; F98-V147 HydrophobicContact CB-CB 4.41Å; F98-V147 HydrophobicContact CB-CG1 3.74Å; F98-V147 HydrophobicContact CB-CG2 3.72Å; F98-V147 HydrophobicContact CD1-CG1 4.44Å; F98-V147 HydrophobicContact CG-CG1 4.09Å; Q111-V147 HydrophobicContact CG-CG2 4.43Å; V141-V147 HydrophobicContact CG1-CG1 3.45Å; V141-V147 VanDerWaalsContact CG1-CG1 3.45Å; Y143-V147 CarbonylContact C-O 3.52Å; Y143-V147 WeakPolarHBondContact CA-O 3.39Å; N144-V147 PolarHBondContact N-O 3.03Å; N144-V147 PolarHBondContact O-N 2.58Å; N144-V147 PolarHBondContact OD1-N 2.87Å; N144-V147 VanDerWaalsContact OD1-N 3.08Å |
| 148 | Q | 88.9 | Confident | 77.6 | Confident | 19 Ų | 19 | 66.8 Ų | 66.8 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | trans | -150.9 | 152.9 | -179.2 | -60.9 | 177 | -56.2 | 0 | 0 | 108.7 | K11 P38 W39 N144 | K11-Q148 PolarHBondContact O-OE1 2.89Å; K11-Q148 VanDerWaalsContact O-OE1 3.12Å; P38-Q148 CarbonylContact C-O 3.6Å; P38-Q148 HydrophobicContact CB-CB 4.05Å; P38-Q148 HydrophobicContact CB-CG 4.25Å; P38-Q148 HydrophobicContact CG-CB 3.92Å; P38-Q148 HydrophobicContact CG-CG 4.29Å; P38-Q148 PolarHBondContact O-N 2.87Å; W39-Q148 WeakPolarHBondContact CA-O 3.19Å; W39-Q148 VanDerWaalsContact CB-O 3.29Å; W39-Q148 WeakPolarHBondContact CB-O 3.44Å; W39-Q148 PolarHBondContact N-O 3.01Å; N144-Q148 WeakPolarHBondContact O-CG 3.3Å | ||
| 149 | G | 88.1 | Confident | 76.3 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 152.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C9 G10 L58 | C9-G149 CarbonylContact C-O 3.56Å; C9-G149 WeakPolarHBondContact CA-O 3.41Å; G10-G149 PolarHBondContact N-O 2.86Å; L58-G149 CarbonylContact O-C 3.58Å; L58-G149 WeakPolarHBondContact O-CA 3.27Å |
| 150 | I | 89.5 | Confident | 75 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 149.7 | 169.3 | -159.9 | 170.7 | 0 | 0 | 0 | 110.6 | W39 L58 I59 D60 | W39-I150 HydrophobicContact CB-CB 3.95Å; W39-I150 HydrophobicContact CB-CG2 4.43Å; W39-I150 HydrophobicContact CD2-CB 3.86Å; W39-I150 HydrophobicContact CD2-CD1 4.15Å; W39-I150 HydrophobicContact CD2-CG1 4.13Å; W39-I150 HydrophobicContact CE3-CB 4.15Å; W39-I150 HydrophobicContact CE3-CG1 4.4Å; W39-I150 HydrophobicContact CG-CB 3.76Å; W39-I150 HydrophobicContact CG-CD1 4.32Å; W39-I150 HydrophobicContact CG-CG1 4.41Å; W39-I150 HydrophobicContact CG-CG2 4.47Å; W39-I150 HydrophobicContact CZ2-CD1 4.31Å; L58-I150 PolarHBondContact O-N 3.08Å; I59-I150 HydrophobicContact CG2-CG2 4.26Å; D60-I150 PolarHBondContact N-O 3.2Å |
| 151 | C | 82.2 | Confident | 73.6 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 150.7 | 177.4 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | C9 | C9-C151 HydrophobicContact CB-CB 4.12Å; C9-C151 WeakPolarHBondContact CB-SG 3.38Å; C9-C151 PolarHBondContact O-SG 3.29Å; C9-C151 WeakPolarHBondContact SG-CA 3.48Å; C9-C151 WeakPolarHBondContact SG-CB 3.49Å; C9-C151 CovalentContact SG-SG 2.04Å; C9-C151 PolarHBondContact SG-SG 3.23Å |
| 152 | L | 76.1 | Confident | 71.8 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 18% | 0.178 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 146 | 168.1 | -76.8 | 166.8 | 0 | 0 | 0 | 110.9 | I59 W61 V198 L202 M205 | I59-L152 HydrophobicContact CB-CD1 4.32Å; I59-L152 HydrophobicContact CB-CG 4.36Å; I59-L152 HydrophobicContact CD1-CD1 4.05Å; I59-L152 HydrophobicContact CG2-CD2 4.19Å; I59-L152 HydrophobicContact CG2-CG 4.37Å; W61-L152 HydrophobicContact CG-CD1 4.46Å; L152-V198 HydrophobicContact CD2-CG1 3.63Å; L152-L202 HydrophobicContact CB-CD2 4.26Å; L152-M205 HydrophobicContact CD1-CE 3.8Å; L152-M205 HydrophobicContact CD2-CE 4.02Å; L152-M205 HydrophobicContact CD2-SD 4.39Å |
| 153 | P | 71.1 | Confident | 70.5 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 31% | 0.305 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -68 | 160.7 | 177.2 | 29.2 | -34.7 | 0 | 0 | 0 | 111.5 | V198 L202 | P153-V198 HydrophobicContact CG-CB 4.35Å; P153-V198 HydrophobicContact CG-CG1 4.37Å; P153-L202 WeakPolarHBondContact O-CD1 3.03Å |
| 154 | S | 65.5 | Low | 69.2 | Low | 47 Ų | 47 | 75.4 Ų | 75.4 | 33% | 0.329 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 159.4 | 169.3 | 64.5 | 0 | 0 | 0 | 0 | 112 | N156 E157 | S154-N156 PolarHBondContact O-N 2.9Å; S154-E157 WeakPolarHBondContact CB-OE2 3.08Å; S154-E157 PolarHBondContact N-OE2 2.94Å; S154-E157 PolarHBondContact O-N 3.45Å; S154-E157 VanDerWaalsContact OG-CG 3.29Å; S154-E157 WeakPolarHBondContact OG-CG 3.17Å; S154-E157 PolarHBondContact OG-N 3.08Å; S154-E157 PolarHBondContact OG-OE2 2.69Å |
| 155 | I | 55.4 | Low | 68.4 | Low | 86 Ų | 86 | 80.1 Ų | 80.1 | 44% | 0.441 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.8 | 178.9 | -85.9 | 172.1 | 0 | 0 | 0 | 112.2 | L202 | I155-L202 HydrophobicContact CG1-CB 4.13Å; I155-L202 HydrophobicContact CG1-CD1 3.75Å |
| 156 | N | 57.3 | Low | 67.9 | Low | 144 Ų | 144 | 78.2 Ų | 78.2 | 77% | 0.77 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -6.5 | -176.9 | -61.5 | -12.1 | 0 | 0 | 0 | 113.3 | S154 E158 | S154-N156 PolarHBondContact O-N 2.9Å; N156-E158 PolarHBondContact O-N 3.47Å; N156-E158 VanDerWaalsContact O-N 3.15Å |
| 157 | E | 58.6 | Low | 67.5 | Low | 95 Ų | 95 | 76.9 Ų | 76.9 | 44% | 0.444 | 44% | 0.438 | S | S | . | . | trans | -82.2 | 90 | 173.3 | -86.4 | 164 | 153.3 | 0 | 0 | 109.3 | S154 S199 | S154-E157 WeakPolarHBondContact CB-OE2 3.08Å; S154-E157 PolarHBondContact N-OE2 2.94Å; S154-E157 PolarHBondContact O-N 3.45Å; S154-E157 VanDerWaalsContact OG-CG 3.29Å; S154-E157 WeakPolarHBondContact OG-CG 3.17Å; S154-E157 PolarHBondContact OG-N 3.08Å; S154-E157 PolarHBondContact OG-OE2 2.69Å; E157-S199 PolarHBondContact O-OG 2.74Å | ||
| 158 | E | 53.6 | Low | 67 | Low | 138 Ų | 138 | 79.5 Ų | 79.5 | 65% | 0.645 | 45% | 0.454 | S | S | * | . | trans | -76.7 | -23.5 | -177.2 | -68.7 | -162.8 | 161.4 | 0 | 0 | 113.7 | N156 K197 | N156-E158 PolarHBondContact O-N 3.47Å; N156-E158 VanDerWaalsContact O-N 3.15Å; E158-K197 WeakPolarHBondContact O-CE 3.32Å; E158-K197 PolarHBondContact O-NZ 2.99Å | ||
| 159 | L | 54.1 | Low | 66.9 | Low | 141 Ų | 141 | 80.1 Ų | 80.1 | 74% | 0.738 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -145 | 150.6 | 179.1 | -71.2 | 167.8 | 0 | 0 | 0 | 108.4 | ||
| 160 | A | 55.4 | Low | 66.8 | Low | 60 Ų | 60 | 81.1 Ų | 81.1 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 143.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q162 | A160-Q162 PolarHBondContact O-N 2.93Š|
| 161 | P | 53.4 | Low | 66.6 | Low | 100 Ų | 100 | 80.2 Ų | 80.2 | 65% | 0.649 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -49.8 | 131.6 | 176.6 | -22.5 | 30.6 | 0 | 0 | 0 | 109.4 | G163 G164 | P161-G163 PolarHBondContact O-N 2.93Å; P161-G163 VanDerWaalsContact O-N 3.1Å; P161-G164 PolarHBondContact O-N 2.92Å |
| 162 | Q | 48.5 | Very low | 66 | Low | 202 Ų | 202 | 80 Ų | 80 | 94% | 0.944 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 122.1 | 176.6 | -79.5 | -175.2 | -19.3 | 0 | 0 | 109.1 | A160 | A160-Q162 PolarHBondContact O-N 2.93Š|
| 163 | G | 54.6 | Low | 65.5 | Low | 80 Ų | 80 | 82.4 Ų | 82.4 | 83% | 0.825 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.8 | -3.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P161 R165 | P161-G163 PolarHBondContact O-N 2.93Å; P161-G163 VanDerWaalsContact O-N 3.1Å; G163-R165 PolarHBondContact O-N 3.31Å |
| 164 | G | 58.4 | Low | 64.8 | Low | 42 Ų | 42 | 81.9 Ų | 81.9 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | trans | -71 | 124.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P161 C166 | P161-G164 PolarHBondContact O-N 2.92Å; G164-C166 PolarHBondContact O-N 3.08Å | ||
| 165 | R | 67.8 | Low | 64.1 | Low | 149 Ų | 149 | 81.8 Ų | 81.8 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | trans | -70.9 | 117.3 | 176.9 | -60.1 | -172.2 | -71.1 | 165.1 | 0.2 | 110.5 | G163 F167 E190 | G163-R165 PolarHBondContact O-N 3.31Å; R165-F167 HydrophobicContact CB-CE2 4.06Å; R165-F167 HydrophobicContact CB-CZ 4.31Å; R165-E190 VanDerWaalsContact CG-OE1 3.23Å; R165-E190 WeakPolarHBondContact CG-OE1 3.41Å | ||
| 166 | C | 72 | Confident | 63.7 | Low | 63 Ų | 63 | 86.1 Ų | 86.1 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | trans | -110.2 | 129.5 | 178.1 | -62.6 | 0 | 0 | 0 | 0 | 109.3 | G164 | G164-C166 PolarHBondContact O-N 3.08Š| ||
| 167 | F | 78 | Confident | 62.8 | Low | 57 Ų | 57 | 86.5 Ų | 86.5 | 25% | 0.25 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.3 | -179.3 | -62.3 | -86 | 0 | 0 | 0 | 111.1 | P16 R165 M189 | P16-F167 HydrophobicContact CB-CE1 4.49Å; P16-F167 HydrophobicContact CB-CZ 4.22Å; P16-F167 HydrophobicContact CG-CE2 4.43Å; R165-F167 HydrophobicContact CB-CE2 4.06Å; R165-F167 HydrophobicContact CB-CZ 4.31Å; F167-M189 CarbonylContact C-O 3.51Å; F167-M189 WeakPolarHBondContact CA-O 3.38Å |
| 168 | V | 79.1 | Confident | 62 | Low | 55 Ų | 55 | 92.2 Ų | 92.2 | 33% | 0.333 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 132.7 | 162.5 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | E188 M189 Y195 | V168-E188 CarbonylContact O-C 3.53Å; V168-E188 VanDerWaalsContact O-CA 3.27Å; V168-E188 WeakPolarHBondContact O-CA 3.3Å; V168-M189 PolarHBondContact N-O 2.9Å; V168-M189 PolarHBondContact O-N 3.16Å; V168-Y195 HydrophobicContact CG2-CE1 3.98Å; V168-Y195 WeakPolarHBondContact CG2-OH 3.31Å |
| 169 | T | 86.2 | Confident | 61.5 | Low | 31 Ų | 31 | 90 Ų | 90 | 19% | 0.19 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.5 | -179.2 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | H37 Q40 H187 E188 | H37-T169 HydrophobicContact CB-CG2 4.31Å; Q40-T169 VanDerWaalsContact OE1-CB 3.3Å; Q40-T169 PolarHBondContact OE1-O 2.71Å; Q40-T169 PolarHBondContact OE1-OG1 2.76Å; T169-H187 WeakPolarHBondContact CA-O 3.22Å; T169-E188 HydrophobicContact CG2-CB 3.88Å |
| 170 | G | 87 | Confident | 60.7 | Low | 22 Ų | 22 | 91.9 Ų | 91.9 | 23% | 0.227 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | H187 | G170-H187 PolarHBondContact N-O 2.79Å; G170-H187 VanDerWaalsContact N-O 3.11Å; G170-H187 PolarHBondContact O-N 2.9Å |
| 171 | W | 83.7 | Confident | 60.1 | Low | 35 Ų | 35 | 93.1 Ų | 93.1 | 13% | 0.133 | 53% | 0.534 | C | S | . | . | trans | -110.4 | 23.8 | 177.7 | -60.8 | -87.6 | 0 | 0 | 0 | 112.8 | Q40 L42 I100 H101 L103 L186 | Q40-W171 HydrophobicContact CG-CH2 3.43Å; Q40-W171 VanDerWaalsContact CG-CH2 3.43Å; Q40-W171 HydrophobicContact CG-CZ2 4.31Å; Q40-W171 HydrophobicContact CG-CZ3 3.67Å; L42-W171 HydrophobicContact CB-CH2 4.11Å; L42-W171 HydrophobicContact CB-CZ3 3.89Å; L42-W171 HydrophobicContact CD1-CE3 4.19Å; L42-W171 HydrophobicContact CD1-CZ3 4.26Å; I100-W171 HydrophobicContact CB-CZ2 4.28Å; I100-W171 HydrophobicContact CG2-CZ2 4.29Å; I100-W171 WeakPolarHBondContact O-CZ2 3.5Å; H101-W171 PolarHBondContact O-NE1 3.13Å; L103-W171 HydrophobicContact CD1-CB 3.68Å; L103-W171 HydrophobicContact CD1-CD2 4.44Å; L103-W171 HydrophobicContact CD1-CG 3.65Å; L103-W171 HydrophobicContact CD2-CD2 4.48Å; L103-W171 HydrophobicContact CD2-CG 4.45Å; L103-W171 HydrophobicContact CG-CD2 4.49Å; L103-W171 HydrophobicContact CG-CG 3.99Å; W171-L186 HydrophobicContact CD2-CD1 3.9Å; W171-L186 HydrophobicContact CE3-CD1 4.15Å; W171-L186 HydrophobicContact CH2-CD1 4.05Å; W171-L186 HydrophobicContact CZ2-CB 4.23Å; W171-L186 HydrophobicContact CZ2-CD1 3.77Å; W171-L186 HydrophobicContact CZ2-CG 4.44Å; W171-L186 HydrophobicContact CZ3-CD1 4.22Å | ||
| 172 | G | 70.5 | Confident | 59.8 | Low | 52 Ų | 52 | 92.8 Ų | 92.8 | 54% | 0.536 | 53% | 0.526 | S | S | . | . | trans | -68.5 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 173 | S | 65.2 | Low | 60.1 | Low | 84 Ų | 84 | 83.5 Ų | 83.5 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | trans | -65.4 | 145.6 | -179.9 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 174 | I | 57.8 | Low | 61 | Low | 36 Ų | 36 | 83.6 Ų | 83.6 | 19% | 0.185 | 46% | 0.462 | C | S | . | . | trans | -106.4 | 1.9 | -168.2 | 66.1 | -178.1 | 0 | 0 | 0 | 115.4 | R25 I26 V181 A183 | R25-I174 VanDerWaalsContact O-CB 3.31Å; R25-I174 WeakPolarHBondContact O-CB 3.37Å; I26-I174 HydrophobicContact CD1-CB 4.27Å; I26-I174 HydrophobicContact CD1-CG2 3.52Å; I26-I174 HydrophobicContact CG1-CB 3.73Å; I26-I174 HydrophobicContact CG1-CG2 3.49Å; I26-I174 VanDerWaalsContact CG1-CG2 3.49Å; I174-V181 HydrophobicContact CD1-CB 4.04Å; I174-V181 HydrophobicContact CD1-CG1 4Å; I174-V181 HydrophobicContact CG1-CB 4.35Å; I174-V181 WeakPolarHBondContact CG1-O 3.37Å; I174-A183 HydrophobicContact CG2-CB 3.54Å | ||
| 175 | G | 49.4 | Very low | 62 | Low | 46 Ų | 46 | 82.8 Ų | 82.8 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | trans | -131.3 | 150.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 176 | K | 46.8 | Very low | 62.7 | Low | 177 Ų | 177 | 75.9 Ų | 75.9 | 77% | 0.77 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -85.4 | -1.4 | 172.8 | -92.8 | -175.9 | 177 | -177 | 0 | 114.2 | V27 | V27-K176 HydrophobicContact CG2-CD 4.08Å; V27-K176 HydrophobicContact CG2-CG 3.99Å |
| 177 | L | 39.6 | Very low | 63.1 | Low | 152 Ų | 152 | 74 Ų | 74 | 80% | 0.796 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -134 | 149.3 | -176.4 | -86 | 107.4 | 0 | 0 | 0 | 111.1 | S179 | L177-S179 PolarHBondContact O-N 3.06Š|
| 178 | K | 41.9 | Very low | 63.1 | Low | 215 Ų | 215 | 71.8 Ų | 71.8 | 94% | 0.935 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -47.3 | 17.4 | -172.9 | -86.3 | 179.9 | 171.1 | 179.2 | 0 | 119.6 | ||
| 179 | S | 41.8 | Very low | 62.7 | Low | 91 Ų | 91 | 70.6 Ų | 70.6 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | trans | -100.3 | 108.3 | 168.6 | 65.4 | 0 | 0 | 0 | 0 | 111 | L177 V181 | L177-S179 PolarHBondContact O-N 3.06Å; S179-V181 PolarHBondContact O-N 2.83Å | ||
| 180 | F | 37.5 | Very low | 61.9 | Low | 180 Ų | 180 | 73.2 Ų | 73.2 | 79% | 0.789 | 40% | 0.4 | S | S | * | . | trans | -61.9 | 101.7 | 174.9 | -81.1 | -99.7 | 0 | 0 | 0 | 110.2 | ||||
| 181 | V | 43.4 | Very low | 60.5 | Low | 87 Ų | 87 | 76.6 Ų | 76.6 | 53% | 0.527 | 41% | 0.41 | S | S | . | . | trans | -112.6 | 98.8 | 157.2 | -170.4 | 0 | 0 | 0 | 0 | 105.8 | I174 S179 A183 | I174-V181 HydrophobicContact CD1-CB 4.04Å; I174-V181 HydrophobicContact CD1-CG1 4Å; I174-V181 HydrophobicContact CG1-CB 4.35Å; I174-V181 WeakPolarHBondContact CG1-O 3.37Å; S179-V181 PolarHBondContact O-N 2.83Å; V181-A183 PolarHBondContact O-N 2.89Å | ||
| 182 | D | 46.9 | Very low | 59 | Low | 93 Ų | 93 | 85.1 Ų | 85.1 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | trans | -65.2 | 127.1 | 177.2 | -72.9 | -23.9 | 0 | 0 | 0 | 109.8 | F184 | D182-F184 HydrophobicContact CB-CE1 4.34Å; D182-F184 HydrophobicContact CB-CZ 4.28Å; D182-F184 WeakPolarHBondContact O-CD2 3.5Å; D182-F184 WeakPolarHBondContact O-CE2 3.39Å; D182-F184 PolarHBondContact O-N 2.72Å; D182-F184 VanDerWaalsContact O-N 3.07Å | ||
| 183 | A | 54.5 | Low | 58.1 | Low | 6 Ų | 6 | 85.9 Ų | 85.9 | 5% | 0.05 | 44% | 0.443 | C | S | . | . | trans | -67.1 | 104.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | I174 V181 H187 | I174-A183 HydrophobicContact CG2-CB 3.54Å; V181-A183 PolarHBondContact O-N 2.89Å; A183-H187 WeakPolarHBondContact CB-CE1 3.28Å | ||
| 184 | F | 72.9 | Confident | 57.5 | Low | 82 Ų | 82 | 88.9 Ų | 88.9 | 36% | 0.36 | 46% | 0.457 | S | S | . | . | trans | -73.8 | -30.1 | 175.1 | -61.3 | -71.4 | 0 | 0 | 0 | 112.6 | N102 L103 K104 D182 | N102-F184 CarbonylContact C-O 3.56Å; N102-F184 WeakPolarHBondContact CA-O 3.28Å; L103-F184 PolarHBondContact N-O 3.43Å; K104-F184 HydrophobicContact CD-CB 4.41Å; K104-F184 HydrophobicContact CD-CD1 3.95Å; K104-F184 HydrophobicContact CD-CD2 4.19Å; K104-F184 HydrophobicContact CD-CE1 4.28Å; K104-F184 HydrophobicContact CD-CG 3.9Å; K104-F184 VanDerWaalsContact CE-CD1 3.43Å; K104-F184 VanDerWaalsContact CE-CD2 3.49Å; K104-F184 HydrophobicContact CG-CB 4.16Å; K104-F184 HydrophobicContact CG-CD1 3.56Å; K104-F184 HydrophobicContact CG-CE1 4.1Å; K104-F184 HydrophobicContact CG-CG 3.85Å; D182-F184 HydrophobicContact CB-CE1 4.34Å; D182-F184 HydrophobicContact CB-CZ 4.28Å; D182-F184 WeakPolarHBondContact O-CD2 3.5Å; D182-F184 WeakPolarHBondContact O-CE2 3.39Å; D182-F184 PolarHBondContact O-N 2.72Å; D182-F184 VanDerWaalsContact O-N 3.07Å | ||
| 185 | C | 80.8 | Confident | 57.8 | Low | 26 Ų | 26 | 93.2 Ų | 93.2 | 18% | 0.176 | 47% | 0.472 | C | S | . | . | B | Isolated β-bridge | trans | -90.9 | 152.2 | 177.9 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | H101 H187 | H101-C185 CarbonylContact O-C 3.46Å; H101-C185 WeakPolarHBondContact O-CA 3.42Å; C185-H187 PolarHBondContact O-CE1 3.17Å; C185-H187 PolarHBondContact O-N 2.86Å; C185-H187 PolarHBondContact O-ND1 2.89Å |
| 186 | L | 82.2 | Confident | 58.7 | Low | 4 Ų | 4 | 93.6 Ų | 93.6 | 2% | 0.021 | 47% | 0.465 | C | S | . | . | trans | -63.7 | 130.3 | 170 | -176.5 | 67.6 | 0 | 0 | 0 | 108.8 | A32 H37 Q40 H101 W171 | A32-L186 HydrophobicContact CB-CB 4.44Å; A32-L186 HydrophobicContact CB-CD2 4.32Å; A32-L186 HydrophobicContact CB-CG 4.2Å; A32-L186 WeakPolarHBondContact CB-O 3.45Å; A32-L186 PolarHBondContact N-O 3Å; H37-L186 HydrophobicContact CB-CD2 4.37Å; Q40-L186 HydrophobicContact CB-CD2 4.36Å; Q40-L186 HydrophobicContact CG-CD1 3.86Å; Q40-L186 HydrophobicContact CG-CD2 4.2Å; H101-L186 PolarHBondContact O-N 3.49Å; W171-L186 HydrophobicContact CD2-CD1 3.9Å; W171-L186 HydrophobicContact CE3-CD1 4.15Å; W171-L186 HydrophobicContact CH2-CD1 4.05Å; W171-L186 HydrophobicContact CZ2-CB 4.23Å; W171-L186 HydrophobicContact CZ2-CD1 3.77Å; W171-L186 HydrophobicContact CZ2-CG 4.44Å; W171-L186 HydrophobicContact CZ3-CD1 4.22Å | ||
| 187 | H | 80.8 | Confident | 60 | Low | 22 Ų | 22 | 88.3 Ų | 88.3 | 10% | 0.102 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 153.5 | 175.5 | -71.2 | 67.9 | 0 | 0 | 0 | 110.7 | I26 F30 N31 T169 G170 A183 C185 | I26-H187 HydrophobicContact CD1-CB 3.84Å; I26-H187 WeakPolarHBondContact CD1-CD2 3.42Å; F30-H187 CarbonylContact O-C 3.59Å; F30-H187 WeakPolarHBondContact O-CA 3.5Å; F30-H187 VanDerWaalsContact O-CB 3.29Å; F30-H187 WeakPolarHBondContact O-CB 3Å; F30-H187 PolarHBondContact O-CD2 3.45Å; N31-H187 PolarHBondContact OD1-CE1 2.96Å; N31-H187 PolarHBondContact OD1-NE2 2.63Å; T169-H187 WeakPolarHBondContact CA-O 3.22Å; G170-H187 PolarHBondContact N-O 2.79Å; G170-H187 VanDerWaalsContact N-O 3.11Å; G170-H187 PolarHBondContact O-N 2.9Å; A183-H187 WeakPolarHBondContact CB-CE1 3.28Å; C185-H187 PolarHBondContact O-CE1 3.17Å; C185-H187 PolarHBondContact O-N 2.86Å; C185-H187 PolarHBondContact O-ND1 2.89Å |
| 188 | E | 77.2 | Confident | 61.7 | Low | 12 Ų | 12 | 82.9 Ų | 82.9 | 6% | 0.056 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.2 | 173.3 | 68.4 | -168.5 | -178.1 | 0 | 0 | 111.1 | A17 F30 A32 H37 V168 T169 | A17-E188 PolarHBondContact N-OE1 2.85Å; F30-E188 PolarHBondContact N-O 2.78Å; F30-E188 PolarHBondContact O-N 2.51Å; A32-E188 HydrophobicContact CB-CB 4Å; A32-E188 HydrophobicContact CB-CG 4Å; H37-E188 IonicContact CD2-OE2 3.77Å; H37-E188 PolarHBondContact CD2-OE2 3.08Å; H37-E188 IonicContact CE1-OE2 2.66Å; H37-E188 IonicContact NE2-OE2 3.62Å; H37-E188 PolarHBondContact NE2-OE2 2.97Å; V168-E188 CarbonylContact O-C 3.53Å; V168-E188 VanDerWaalsContact O-CA 3.27Å; V168-E188 WeakPolarHBondContact O-CA 3.3Å; T169-E188 HydrophobicContact CG2-CB 3.88Å |
| 189 | M | 70.8 | Confident | 63.2 | Low | 29 Ų | 29 | 73.4 Ų | 73.4 | 14% | 0.143 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 135.5 | 175.6 | -173.1 | 176.2 | 176.7 | 0 | 0 | 110.8 | R28 F167 V168 E191 | R28-M189 HydrophobicContact CB-CE 3.55Å; F167-M189 CarbonylContact C-O 3.51Å; F167-M189 WeakPolarHBondContact CA-O 3.38Å; V168-M189 PolarHBondContact N-O 2.9Å; V168-M189 PolarHBondContact O-N 3.16Å; M189-E191 HydrophobicContact CE-CB 3.89Å; M189-E191 HydrophobicContact CE-CG 3.62Å; M189-E191 WeakPolarHBondContact CE-OE1 3.36Å; M189-E191 HydrophobicContact CG-CB 4.13Å; M189-E191 HydrophobicContact SD-CB 4.21Å; M189-E191 HydrophobicContact SD-CG 4.36Å; M189-E191 VanDerWaalsContact SD-OE2 3.4Å |
| 190 | E | 68.8 | Low | 64.8 | Low | 86 Ų | 86 | 78.3 Ų | 78.3 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 108.5 | 171 | -173.4 | 170.6 | -154 | 0 | 0 | 108 | Y20 R165 | Y20-E190 PolarHBondContact OH-OE2 3Å; R165-E190 VanDerWaalsContact CG-OE1 3.23Å; R165-E190 WeakPolarHBondContact CG-OE1 3.41Å |
| 191 | E | 58.1 | Low | 66.6 | Low | 93 Ų | 93 | 71.6 Ų | 71.6 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | trans | -147.6 | 154.5 | -170.7 | -156.5 | 171.1 | -148.7 | 0 | 0 | 115.3 | M189 T193 | M189-E191 HydrophobicContact CE-CB 3.89Å; M189-E191 HydrophobicContact CE-CG 3.62Å; M189-E191 WeakPolarHBondContact CE-OE1 3.36Å; M189-E191 HydrophobicContact CG-CB 4.13Å; M189-E191 HydrophobicContact SD-CB 4.21Å; M189-E191 HydrophobicContact SD-CG 4.36Å; M189-E191 VanDerWaalsContact SD-OE2 3.4Å; E191-T193 PolarHBondContact O-N 3.3Å | ||
| 192 | F | 52 | Low | 67.9 | Low | 214 Ų | 214 | 67.6 Ų | 67.6 | 94% | 0.939 | 33% | 0.326 | S | S | * | . | trans | -88 | 78.9 | 169.2 | -66.4 | -92.9 | 0 | 0 | 0 | 111 | ||||
| 193 | T | 52.4 | Low | 68.7 | Low | 69 Ų | 69 | 66.8 Ų | 66.8 | 42% | 0.423 | 32% | 0.322 | S | S | . | . | trans | -106.7 | 159.8 | 175.9 | -35.3 | 0 | 0 | 0 | 0 | 111.5 | E191 Y195 | E191-T193 PolarHBondContact O-N 3.3Å; T193-Y195 WeakPolarHBondContact CB-OH 3.29Å; T193-Y195 WeakPolarHBondContact O-CD2 3.43Å; T193-Y195 WeakPolarHBondContact O-CE2 3.49Å; T193-Y195 PolarHBondContact O-N 3.43Å; T193-Y195 PolarHBondContact OG1-OH 3.23Å | ||
| 194 | V | 53.1 | Low | 69.5 | Low | 147 Ų | 147 | 69 Ų | 69 | 89% | 0.891 | 33% | 0.329 | S | S | * | . | trans | -79.9 | 114.8 | 172.5 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 195 | Y | 63.6 | Low | 69.2 | Low | 126 Ų | 126 | 65.7 Ų | 65.7 | 49% | 0.494 | 32% | 0.315 | S | S | . | . | trans | -112.4 | 154 | 177.9 | -57 | -85.4 | 0 | 0 | 0 | 112.3 | V168 T193 K197 | V168-Y195 HydrophobicContact CG2-CE1 3.98Å; V168-Y195 WeakPolarHBondContact CG2-OH 3.31Å; T193-Y195 WeakPolarHBondContact CB-OH 3.29Å; T193-Y195 WeakPolarHBondContact O-CD2 3.43Å; T193-Y195 WeakPolarHBondContact O-CE2 3.49Å; T193-Y195 PolarHBondContact O-N 3.43Å; T193-Y195 PolarHBondContact OG1-OH 3.23Å; Y195-K197 PolarHBondContact O-N 3.34Å | ||
| 196 | T | 68 | Low | 68.1 | Low | 54 Ų | 54 | 68.8 Ų | 68.8 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | trans | -64 | 118.5 | 166.3 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | I132 V198 Y201 | I132-T196 HydrophobicContact CB-CG2 4.2Å; I132-T196 HydrophobicContact CD1-CG2 4.33Å; T196-V198 PolarHBondContact O-N 2.8Å; T196-Y201 HydrophobicContact CG2-CD2 3.96Å; T196-Y201 HydrophobicContact CG2-CE2 3.29Å | ||
| 197 | K | 75 | Confident | 66.8 | Low | 67 Ų | 67 | 73.3 Ų | 73.3 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | trans | -70.6 | 90.3 | -178 | -170.9 | 170.6 | -176.8 | 167.4 | 0 | 111.6 | E158 Y195 S199 R200 Y201 | E158-K197 WeakPolarHBondContact O-CE 3.32Å; E158-K197 PolarHBondContact O-NZ 2.99Å; Y195-K197 PolarHBondContact O-N 3.34Å; K197-S199 PolarHBondContact O-N 2.84Å; K197-S199 VanDerWaalsContact O-N 3.15Å; K197-R200 HydrophobicContact CB-CG 4.43Å; K197-R200 HydrophobicContact CD-CG 4.07Å; K197-R200 HydrophobicContact CG-CG 4.17Å; K197-R200 WeakPolarHBondContact O-CB 3.31Å; K197-R200 PolarHBondContact O-N 2.78Å; K197-Y201 VanDerWaalsContact O-CD2 3.29Å; K197-Y201 WeakPolarHBondContact O-CD2 3.22Å | ||
| 198 | V | 74.7 | Confident | 65.8 | Low | 37 Ų | 37 | 72.3 Ų | 72.3 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -53.6 | -34.8 | -175.6 | -179.8 | 0 | 0 | 0 | 0 | 113.1 | L71 I132 L152 P153 T196 R200 Y201 L202 M205 | L71-V198 HydrophobicContact CD2-CG1 4.18Å; L71-V198 HydrophobicContact CD2-CG2 4.02Å; I132-V198 HydrophobicContact CD1-CG2 4.47Å; L152-V198 HydrophobicContact CD2-CG1 3.63Å; P153-V198 HydrophobicContact CG-CB 4.35Å; P153-V198 HydrophobicContact CG-CG1 4.37Å; T196-V198 PolarHBondContact O-N 2.8Å; V198-R200 PolarHBondContact O-N 2.93Å; V198-Y201 WeakPolarHBondContact O-CA 3.24Å; V198-Y201 PolarHBondContact O-N 2.91Å; V198-L202 PolarHBondContact O-N 3Å; V198-M205 HydrophobicContact CG1-SD 4.07Å |
| 199 | S | 73 | Confident | 65 | Low | 17 Ų | 17 | 73.6 Ų | 73.6 | 12% | 0.119 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -58.4 | -30.5 | 178.3 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | E157 K197 Y201 L202 | E157-S199 PolarHBondContact O-OG 2.74Å; K197-S199 PolarHBondContact O-N 2.84Å; K197-S199 VanDerWaalsContact O-N 3.15Å; S199-Y201 VanDerWaalsContact C-N 3.27Å; S199-Y201 PolarHBondContact O-N 2.84Å; S199-L202 PolarHBondContact O-N 3.04Å |
| 200 | R | 76.2 | Confident | 65.2 | Low | 193 Ų | 193 | 72.6 Ų | 72.6 | 73% | 0.728 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -72.1 | -20.7 | 174.5 | -69.9 | -172.4 | 173.8 | 175.7 | 0.2 | 113.7 | K197 V198 | K197-R200 HydrophobicContact CB-CG 4.43Å; K197-R200 HydrophobicContact CD-CG 4.07Å; K197-R200 HydrophobicContact CG-CG 4.17Å; K197-R200 WeakPolarHBondContact O-CB 3.31Å; K197-R200 PolarHBondContact O-N 2.78Å; V198-R200 PolarHBondContact O-N 2.93Å |
| 201 | Y | 74.8 | Confident | 65.5 | Low | 39 Ų | 39 | 68.5 Ų | 68.5 | 15% | 0.153 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -97.9 | -5.4 | -179.1 | -64 | -87.3 | 0 | 0 | 0 | 112.2 | A121 N130 I132 T196 K197 V198 S199 D203 W204 M205 | A121-Y201 HydrophobicContact CB-CE1 4.47Å; N130-Y201 WeakPolarHBondContact CA-OH 3.31Å; N130-Y201 HydrophobicContact CB-CE1 4.3Å; N130-Y201 PolarHBondContact OD1-OH 2.86Å; N130-Y201 VanDerWaalsContact OD1-OH 3.05Å; I132-Y201 HydrophobicContact CD1-CD2 4.14Å; I132-Y201 HydrophobicContact CD1-CG 4.09Å; I132-Y201 HydrophobicContact CG2-CD1 3.69Å; I132-Y201 HydrophobicContact CG2-CD2 4.47Å; I132-Y201 HydrophobicContact CG2-CE1 3.71Å; I132-Y201 HydrophobicContact CG2-CG 4.08Å; T196-Y201 HydrophobicContact CG2-CD2 3.96Å; T196-Y201 HydrophobicContact CG2-CE2 3.29Å; K197-Y201 VanDerWaalsContact O-CD2 3.29Å; K197-Y201 WeakPolarHBondContact O-CD2 3.22Å; V198-Y201 WeakPolarHBondContact O-CA 3.24Å; V198-Y201 PolarHBondContact O-N 2.91Å; S199-Y201 VanDerWaalsContact C-N 3.27Å; S199-Y201 PolarHBondContact O-N 2.84Å; Y201-D203 PolarHBondContact O-N 2.76Å; Y201-W204 HydrophobicContact CD1-CE3 4.24Å; Y201-W204 CarbonylContact O-C 3.58Å; Y201-W204 WeakPolarHBondContact O-CA 3.06Å; Y201-W204 WeakPolarHBondContact O-CB 3.34Å; Y201-W204 PolarHBondContact O-N 2.76Å; Y201-M205 WeakPolarHBondContact O-CB 3.18Å; Y201-M205 VanDerWaalsContact O-CG 3.23Å; Y201-M205 WeakPolarHBondContact O-CG 3.29Å; Y201-M205 PolarHBondContact O-N 2.84Å |
| 202 | L | 70.7 | Confident | 66.5 | Low | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.5 | -37.8 | -178.6 | -68.3 | 169.5 | 0 | 0 | 0 | 112.8 | L152 P153 I155 V198 S199 M205 R206 | L152-L202 HydrophobicContact CB-CD2 4.26Å; P153-L202 WeakPolarHBondContact O-CD1 3.03Å; I155-L202 HydrophobicContact CG1-CB 4.13Å; I155-L202 HydrophobicContact CG1-CD1 3.75Å; V198-L202 PolarHBondContact O-N 3Å; S199-L202 PolarHBondContact O-N 3.04Å; L202-M205 HydrophobicContact CD2-SD 4.46Å; L202-R206 VanDerWaalsContact O-CB 3.3Å; L202-R206 WeakPolarHBondContact O-CB 3.41Å; L202-R206 WeakPolarHBondContact O-CD 3.27Å; L202-R206 WeakPolarHBondContact O-CG 3.31Å; L202-R206 PolarHBondContact O-N 3.2Å |
| 203 | D | 63.6 | Low | 67.7 | Low | 76 Ų | 76 | 58 Ų | 58 | 41% | 0.406 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 174.8 | -173.5 | 60.7 | 0 | 0 | 0 | 112.2 | Y201 K207 | Y201-D203 PolarHBondContact O-N 2.76Å; D203-K207 VanDerWaalsContact CG-NZ 3.34Å; D203-K207 VanDerWaalsContact O-CB 3.28Å; D203-K207 WeakPolarHBondContact O-CB 3.26Å; D203-K207 VanDerWaalsContact O-CG 3.22Å; D203-K207 WeakPolarHBondContact O-CG 3.36Å; D203-K207 PolarHBondContact O-N 3.18Å; D203-K207 WeakPolarHBondContact OD1-CE 3.29Å; D203-K207 IonicContact OD1-NZ 2.64Å; D203-K207 PolarHBondContact OD1-NZ 3.34Å; D203-K207 VanDerWaalsContact OD2-CE 3.27Å; D203-K207 WeakPolarHBondContact OD2-CE 3.43Å; D203-K207 IonicContact OD2-NZ 3.19Å; D203-K207 PolarHBondContact OD2-NZ 3.05Å |
| 204 | W | 70.4 | Confident | 68.6 | Low | 54 Ų | 54 | 60 Ų | 60 | 21% | 0.205 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 170.9 | 166.1 | 81.8 | 0 | 0 | 0 | 111.2 | I119 P120 A121 I132 I134 Y201 R206 K207 A208 | I119-W204 HydrophobicContact CG2-CZ2 4.2Å; P120-W204 VanDerWaalsContact C-CZ2 3.48Å; A121-W204 VanDerWaalsContact CA-CZ2 3.47Å; A121-W204 HydrophobicContact CB-CD2 4.27Å; A121-W204 HydrophobicContact CB-CH2 4.04Å; A121-W204 HydrophobicContact CB-CZ2 3.72Å; A121-W204 HydrophobicContact CB-CZ3 4.45Å; I132-W204 HydrophobicContact CG1-CZ3 4.39Å; I132-W204 HydrophobicContact CG2-CH2 4.43Å; I132-W204 HydrophobicContact CG2-CZ3 4.11Å; I134-W204 HydrophobicContact CD1-CH2 4.08Å; I134-W204 HydrophobicContact CD1-CZ3 4Å; I134-W204 HydrophobicContact CG1-CH2 3.9Å; I134-W204 HydrophobicContact CG1-CZ3 4.03Å; Y201-W204 HydrophobicContact CD1-CE3 4.24Å; Y201-W204 CarbonylContact O-C 3.58Å; Y201-W204 WeakPolarHBondContact O-CA 3.06Å; Y201-W204 WeakPolarHBondContact O-CB 3.34Å; Y201-W204 PolarHBondContact O-N 2.76Å; W204-R206 VanDerWaalsContact C-N 3.33Å; W204-R206 PolarHBondContact O-N 2.86Å; W204-K207 CarbonylContact O-C 3.57Å; W204-K207 PolarHBondContact O-N 3.08Å; W204-A208 WeakPolarHBondContact O-CA 3.24Å; W204-A208 WeakPolarHBondContact O-CB 3.43Å; W204-A208 PolarHBondContact O-N 3.09Å |
| 205 | M | 66.8 | Low | 69.8 | Low | 11 Ų | 11 | 55.9 Ų | 55.9 | 5% | 0.054 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 178.5 | -63.7 | 178.7 | 68.5 | 0 | 0 | 111 | I59 L71 I134 L152 V198 Y201 L202 | I59-M205 HydrophobicContact CD1-CE 3.62Å; L71-M205 HydrophobicContact CD1-CE 3.83Å; L71-M205 HydrophobicContact CD1-SD 4.36Å; I134-M205 HydrophobicContact CD1-CB 4.1Å; I134-M205 HydrophobicContact CD1-CE 4.2Å; I134-M205 HydrophobicContact CD1-CG 3.97Å; L152-M205 HydrophobicContact CD1-CE 3.8Å; L152-M205 HydrophobicContact CD2-CE 4.02Å; L152-M205 HydrophobicContact CD2-SD 4.39Å; V198-M205 HydrophobicContact CG1-SD 4.07Å; Y201-M205 WeakPolarHBondContact O-CB 3.18Å; Y201-M205 VanDerWaalsContact O-CG 3.23Å; Y201-M205 WeakPolarHBondContact O-CG 3.29Å; Y201-M205 PolarHBondContact O-N 2.84Å; L202-M205 HydrophobicContact CD2-SD 4.46Å |
| 206 | R | 57.5 | Low | 70.5 | Confident | 92 Ų | 92 | 53.9 Ų | 53.9 | 35% | 0.347 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.2 | -56 | 172.1 | -79 | 170.1 | -170.4 | -165.5 | -1.1 | 111.3 | W61 L202 W204 A208 | W61-R206 HydrophobicContact CH2-CG 3.72Å; W61-R206 HydrophobicContact CZ2-CG 3.37Å; L202-R206 VanDerWaalsContact O-CB 3.3Å; L202-R206 WeakPolarHBondContact O-CB 3.41Å; L202-R206 WeakPolarHBondContact O-CD 3.27Å; L202-R206 WeakPolarHBondContact O-CG 3.31Å; L202-R206 PolarHBondContact O-N 3.2Å; W204-R206 VanDerWaalsContact C-N 3.33Å; W204-R206 PolarHBondContact O-N 2.86Å; R206-A208 VanDerWaalsContact C-N 3.31Å; R206-A208 PolarHBondContact O-N 3.11Å |
| 207 | K | 56.2 | Low | 70.8 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 43% | 0.43 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.3 | -20.2 | -175.9 | -68.2 | 172.8 | 176.3 | 167.3 | 0 | 113.5 | D203 W204 I209 K465 | D203-K207 VanDerWaalsContact CG-NZ 3.34Å; D203-K207 VanDerWaalsContact O-CB 3.28Å; D203-K207 WeakPolarHBondContact O-CB 3.26Å; D203-K207 VanDerWaalsContact O-CG 3.22Å; D203-K207 WeakPolarHBondContact O-CG 3.36Å; D203-K207 PolarHBondContact O-N 3.18Å; D203-K207 WeakPolarHBondContact OD1-CE 3.29Å; D203-K207 IonicContact OD1-NZ 2.64Å; D203-K207 PolarHBondContact OD1-NZ 3.34Å; D203-K207 VanDerWaalsContact OD2-CE 3.27Å; D203-K207 WeakPolarHBondContact OD2-CE 3.43Å; D203-K207 IonicContact OD2-NZ 3.19Å; D203-K207 PolarHBondContact OD2-NZ 3.05Å; W204-K207 CarbonylContact O-C 3.57Å; W204-K207 PolarHBondContact O-N 3.08Å; K207-I209 PolarHBondContact O-N 2.73Å; K207-K465 WeakPolarHBondContact O-CD 3.25Å; K207-K465 WeakPolarHBondContact O-CE 3.48Å; K207-K465 PolarHBondContact O-NZ 3.43Å |
| 208 | A | 59.4 | Low | 70.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -11.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114 | I119 W204 R206 K212 | I119-A208 HydrophobicContact CG2-CB 4.1Å; W204-A208 WeakPolarHBondContact O-CA 3.24Å; W204-A208 WeakPolarHBondContact O-CB 3.43Å; W204-A208 PolarHBondContact O-N 3.09Å; R206-A208 VanDerWaalsContact C-N 3.31Å; R206-A208 PolarHBondContact O-N 3.11Å; A208-K212 WeakPolarHBondContact O-CD 3.31Å; A208-K212 WeakPolarHBondContact O-CE 3.33Å; A208-K212 PolarHBondContact O-NZ 3.29Å |
| 209 | I | 60.3 | Low | 69.5 | Low | 39 Ų | 39 | 51.7 Ų | 51.7 | 20% | 0.2 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -100.5 | -35.4 | -167.3 | -54.4 | 176 | 0 | 0 | 0 | 112.9 | K207 | K207-I209 PolarHBondContact O-N 2.73Š|
| 210 | C | 75.6 | Confident | 68.1 | Low | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.054 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 155.1 | 179.5 | 66.5 | 0 | 0 | 0 | 0 | 112.8 | K212 D261 C375 | C210-K212 VanDerWaalsContact C-N 3.31Å; C210-K212 PolarHBondContact O-N 3.15Å; C210-D261 HydrophobicContact CB-CB 3.85Å; C210-C375 HydrophobicContact CB-CB 4.13Å; C210-C375 WeakPolarHBondContact CB-SG 3.39Å; C210-C375 PolarHBondContact O-SG 3.34Å; C210-C375 WeakPolarHBondContact SG-CB 3.15Å; C210-C375 CovalentContact SG-SG 2.04Å; C210-C375 PolarHBondContact SG-SG 3.2Å |
| 211 | G | 75.5 | Confident | 66.4 | Low | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 22.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | P213 G373 Y466 | G211-P213 WeakPolarHBondContact O-CD 3.45Å; G211-G373 PolarHBondContact N-O 3.23Å; G211-Y466 PolarHBondContact O-N 2.98Å |
| 212 | K | 77.4 | Confident | 64.4 | Low | 61 Ų | 61 | 67.1 Ų | 67.1 | 27% | 0.265 | 31% | 0.31 | S | S | . | . | trans | -117.5 | 85 | -179.5 | -71.5 | -167.3 | 177.7 | -177.9 | 0 | 111.9 | A208 C210 Q372 K465 | A208-K212 WeakPolarHBondContact O-CD 3.31Å; A208-K212 WeakPolarHBondContact O-CE 3.33Å; A208-K212 PolarHBondContact O-NZ 3.29Å; C210-K212 VanDerWaalsContact C-N 3.31Å; C210-K212 PolarHBondContact O-N 3.15Å; K212-Q372 PolarHBondContact O-OE1 2.87Å; K212-K465 HydrophobicContact CG-CG 4.17Å | ||
| 213 | P | 78.4 | Confident | 62.4 | Low | 27 Ų | 27 | 77.7 Ų | 77.7 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | trans | -64.8 | 143.2 | -176.7 | 30.7 | -35 | 0 | 0 | 0 | 111.2 | G211 F215 S237 P239 W240 Y466 | G211-P213 WeakPolarHBondContact O-CD 3.45Å; P213-F215 VanDerWaalsContact C-N 3.28Å; P213-F215 WeakPolarHBondContact CB-O 3.42Å; P213-S237 VanDerWaalsContact CB-O 3.27Å; P213-S237 WeakPolarHBondContact CB-O 3.45Å; P213-P239 HydrophobicContact CB-CG 3.88Å; P213-W240 HydrophobicContact CB-CH2 4.16Å; P213-W240 HydrophobicContact CB-CZ3 4.25Å; P213-W240 HydrophobicContact CG-CH2 3.89Å; P213-W240 HydrophobicContact CG-CZ3 4.3Å; P213-Y466 HydrophobicContact CG-CD2 4.12Å; P213-Y466 HydrophobicContact CG-CE2 4Å | ||
| 214 | Y | 70.5 | Confident | 60.7 | Low | 110 Ų | 110 | 78.9 Ų | 78.9 | 43% | 0.431 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -67.1 | -32.7 | 175.1 | -175 | -93.1 | 0 | 0 | 0 | 111.8 | H117 K369 | H117-Y214 AromaticContact CE1-CD2 3.74Å; H117-Y214 AromaticContact NE2-CD2 3.5Å; H117-Y214 WeakPolarHBondContact NE2-CD2 3.3Å; Y214-K369 HydrophobicContact CG-CB 4.41Å |
| 215 | F | 79.2 | Confident | 58.6 | Low | 61 Ų | 61 | 83.6 Ų | 83.6 | 27% | 0.268 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -105.3 | 122.2 | 176.2 | -53.7 | -80.3 | 0 | 0 | 0 | 109.3 | P213 V234 H236 S237 Y370 | P213-F215 VanDerWaalsContact C-N 3.28Å; P213-F215 WeakPolarHBondContact CB-O 3.42Å; F215-V234 HydrophobicContact CB-CG1 4.48Å; F215-H236 HydrophobicContact CD2-CB 3.79Å; F215-H236 HydrophobicContact CE2-CB 3.95Å; F215-S237 VanDerWaalsContact O-CA 3.29Å; F215-S237 WeakPolarHBondContact O-CA 3.4Å; F215-S237 WeakPolarHBondContact O-CB 3.44Å; F215-Y370 HydrophobicContact CE2-CD1 4.05Å; F215-Y370 HydrophobicContact CE2-CE1 4.15Å; F215-Y370 HydrophobicContact CZ-CE1 4.34Å |
| 216 | D | 76.7 | Confident | 56.6 | Low | 83 Ų | 83 | 93.5 Ų | 93.5 | 44% | 0.444 | 43% | 0.426 | S | S | . | . | trans | -66.9 | 130.6 | 177 | -177.1 | -0.3 | 0 | 0 | 0 | 110 | S218 R389 | D216-S218 PolarHBondContact O-N 3.42Å; D216-S218 PolarHBondContact OD1-N 2.93Å; D216-S218 PolarHBondContact OD1-OG 3.35Å; D216-S218 WeakPolarHBondContact OD2-CB 3.22Å; D216-S218 PolarHBondContact OD2-OG 2.04Å; D216-R389 IonicContact OD1-NH1 3.42Å | ||
| 217 | P | 74.9 | Confident | 55.3 | Low | 0 Ų | 0 | 96.3 Ų | 96.3 | 0% | 0 | 45% | 0.447 | C | S | . | . | trans | -69.3 | -5.3 | 173.7 | 26.1 | -34.7 | 0 | 0 | 0 | 114.5 | F391 Q419 Y466 | P217-F391 HydrophobicContact CG-CE2 4.3Å; P217-Q419 PolarHBondContact O-NE2 2.89Å; P217-Q419 VanDerWaalsContact O-NE2 3.13Å; P217-Y466 HydrophobicContact CG-CE2 4.19Å; P217-Y466 WeakPolarHBondContact CG-OH 3.5Å | ||
| 218 | S | 67.4 | Low | 54.5 | Low | 43 Ų | 43 | 96.1 Ų | 96.1 | 30% | 0.301 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -58.9 | 126.7 | 175.2 | 66.4 | 0 | 0 | 0 | 0 | 112.6 | D216 E220 | D216-S218 PolarHBondContact O-N 3.42Å; D216-S218 PolarHBondContact OD1-N 2.93Å; D216-S218 PolarHBondContact OD1-OG 3.35Å; D216-S218 WeakPolarHBondContact OD2-CB 3.22Å; D216-S218 PolarHBondContact OD2-OG 2.04Å; S218-E220 PolarHBondContact O-N 3.25Å |
| 219 | P | 54.4 | Low | 53.8 | Low | 69 Ų | 69 | 105.1 Ų | 105.1 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 125 | 177.1 | 23.8 | -29.1 | 0 | 0 | 0 | 110.3 | Y221 F231 | P219-Y221 PolarHBondContact O-N 2.79Å; P219-F231 HydrophobicContact CB-CD2 4.49Å; P219-F231 HydrophobicContact CB-CE2 3.94Å; P219-F231 HydrophobicContact CG-CE2 3.94Å; P219-F231 HydrophobicContact CG-CZ 4.14Å |
| 220 | E | 44.9 | Very low | 53.5 | Low | 192 Ų | 192 | 105.2 Ų | 105.2 | 90% | 0.897 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 125.3 | 162.8 | -90.4 | -172 | 159.3 | 0 | 0 | 108.8 | S218 K222 | S218-E220 PolarHBondContact O-N 3.25Å; E220-K222 PolarHBondContact O-N 2.91Å |
| 221 | Y | 39.2 | Very low | 53.3 | Low | 200 Ų | 200 | 108 Ų | 108 | 78% | 0.784 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -45.3 | 102.7 | 177.9 | -89.2 | -104.9 | 0 | 0 | 0 | 112.9 | P219 W223 | P219-Y221 PolarHBondContact O-N 2.79Å; Y221-W223 AromaticContact CD1-NE1 3.73Å; Y221-W223 AromaticContact CE1-NE1 3.78Å |
| 222 | K | 34 | Very low | 53.3 | Low | 182 Ų | 182 | 111.8 Ų | 111.8 | 79% | 0.791 | 53% | 0.525 | S | S | * | . | trans | -144.6 | 99.1 | 141.9 | -76.7 | -166.2 | 179 | 169.1 | 0 | 109.1 | E220 T224 | E220-K222 PolarHBondContact O-N 2.91Å; K222-T224 VanDerWaalsContact C-N 3.26Å; K222-T224 HydrophobicContact CB-CG2 4.45Å; K222-T224 PolarHBondContact O-N 2.63Å | ||
| 223 | W | 28.9 | Very low | 53.4 | Low | 225 Ų | 225 | 109 Ų | 109 | 85% | 0.852 | 51% | 0.513 | S | S | * | . | trans | -57.3 | 89.5 | 165.3 | -65.1 | 87.4 | 0 | 0 | 0 | 108.8 | Y221 | Y221-W223 AromaticContact CD1-NE1 3.73Å; Y221-W223 AromaticContact CE1-NE1 3.78Å | ||
| 224 | T | 28 | Very low | 53.6 | Low | 100 Ų | 100 | 109.9 Ų | 109.9 | 61% | 0.613 | 52% | 0.518 | S | S | * | . | trans | -115.5 | 123.9 | 166.6 | 60.2 | 0 | 0 | 0 | 0 | 106.9 | K222 R226 | K222-T224 VanDerWaalsContact C-N 3.26Å; K222-T224 HydrophobicContact CB-CG2 4.45Å; K222-T224 PolarHBondContact O-N 2.63Å; T224-R226 PolarHBondContact O-N 3.19Å | ||
| 225 | N | 25.6 | Very low | 54.2 | Low | 154 Ų | 154 | 107.7 Ų | 107.7 | 82% | 0.824 | 52% | 0.517 | S | S | * | . | trans | -66.3 | 67.2 | -169.1 | -67.2 | -32.4 | 0 | 0 | 0 | 113.2 | ||||
| 226 | R | 24.5 | Very low | 54.5 | Low | 218 Ų | 218 | 106.4 Ų | 106.4 | 82% | 0.823 | 51% | 0.512 | S | S | * | . | trans | -108.8 | 81.5 | 169.2 | -67.2 | -168.8 | -159.1 | -168.5 | 6.4 | 110.9 | T224 | T224-R226 PolarHBondContact O-N 3.19Š| ||
| 227 | I | 30.1 | Very low | 54.9 | Low | 152 Ų | 152 | 102.5 Ų | 102.5 | 78% | 0.779 | 49% | 0.492 | S | S | * | . | -6.8 | 130.7 | 127 | -62.1 | 172 | 0 | 0 | 0 | 112.7 | |||||
| 228 | I | 39.3 | Very low | 55.7 | Low | 95 Ų | 95 | 102.8 Ų | 102.8 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | S | Bend | cis | -123.2 | 82.2 | 0.7 | -54.7 | -178.6 | 0 | 0 | 0 | 108.3 | G230 E400 | I228-G230 PolarHBondContact O-N 2.94Å; I228-E400 HydrophobicContact CD1-CG 4.15Å |
| 229 | R | 45.3 | Very low | 56.7 | Low | 189 Ų | 189 | 100.9 Ų | 100.9 | 71% | 0.713 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 62.9 | -15 | 158.8 | -67.8 | -169.1 | 177.5 | 178.6 | 1.3 | 122.6 | F420 | R229-F420 HydrophobicContact CB-CD2 4.37Å; R229-F420 HydrophobicContact CB-CE2 3.82Å; R229-F420 WeakPolarHBondContact O-CD2 3.19Å |
| 230 | G | 54.8 | Low | 58.6 | Low | 40 Ų | 40 | 97.6 Ų | 97.6 | 41% | 0.412 | 46% | 0.458 | S | S | . | . | trans | -76.9 | 147.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I228 | I228-G230 PolarHBondContact O-N 2.94Š| ||
| 231 | F | 70.6 | Confident | 60.9 | Low | 66 Ų | 66 | 88.8 Ų | 88.8 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154.4 | 171.4 | 51.5 | -78.4 | 0 | 0 | 0 | 110.9 | P219 A233 Q418 Q419 | P219-F231 HydrophobicContact CB-CD2 4.49Å; P219-F231 HydrophobicContact CB-CE2 3.94Å; P219-F231 HydrophobicContact CG-CE2 3.94Å; P219-F231 HydrophobicContact CG-CZ 4.14Å; F231-A233 PolarHBondContact O-N 3.11Å; F231-A233 VanDerWaalsContact O-N 3.14Å; F231-Q418 VanDerWaalsContact C-OE1 3.32Å; F231-Q418 PolarHBondContact O-OE1 2.95Å; F231-Q419 HydrophobicContact CD2-CG 3.76Å; F231-Q419 HydrophobicContact CE1-CG 4.36Å; F231-Q419 HydrophobicContact CE2-CG 3.59Å; F231-Q419 HydrophobicContact CG-CG 4.27Å; F231-Q419 HydrophobicContact CZ-CG 3.88Å; F231-Q419 PolarHBondContact N-O 2.92Å; F231-Q419 PolarHBondContact O-N 3.3Å |
| 232 | N | 75.8 | Confident | 63.5 | Low | 80 Ų | 80 | 79.2 Ų | 79.2 | 43% | 0.428 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 125.8 | 173.7 | -67.5 | 2.2 | 0 | 0 | 0 | 108.2 | E416 Q418 | N232-E416 VanDerWaalsContact ND2-CD 3.3Å; N232-E416 PolarHBondContact ND2-OE2 3.2Å; N232-Q418 PolarHBondContact OD1-NE2 2.9Å; N232-Q418 PolarHBondContact OD1-OE1 2.84Å |
| 233 | A | 79.6 | Confident | 66.2 | Low | 2 Ų | 2 | 70.9 Ų | 70.9 | 2% | 0.017 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 141.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | F231 H325 L417 Q419 | F231-A233 PolarHBondContact O-N 3.11Å; F231-A233 VanDerWaalsContact O-N 3.14Å; A233-H325 PolarHBondContact O-CE1 3.1Å; A233-L417 HydrophobicContact CB-CB 4.26Å; A233-L417 HydrophobicContact CB-CD2 4.06Å; A233-L417 HydrophobicContact CB-CG 4.06Å; A233-L417 WeakPolarHBondContact CB-O 3.26Å; A233-L417 PolarHBondContact N-O 3.45Å; A233-Q419 HydrophobicContact CB-CB 4.05Å; A233-Q419 HydrophobicContact CB-CG 4.06Å |
| 234 | V | 82.9 | Confident | 69.1 | Low | 46 Ų | 46 | 60.1 Ų | 60.1 | 28% | 0.279 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 129.7 | 168.2 | 174.8 | 0 | 0 | 0 | 0 | 107 | F215 H236 S237 | F215-V234 HydrophobicContact CB-CG1 4.48Å; V234-H236 PolarHBondContact O-N 3.03Å; V234-H236 VanDerWaalsContact O-N 3.11Å; V234-S237 PolarHBondContact N-OG 3.27Å; V234-S237 VanDerWaalsContact O-CB 3.26Å; V234-S237 WeakPolarHBondContact O-CB 3.46Å; V234-S237 PolarHBondContact O-N 2.85Å; V234-S237 PolarHBondContact O-OG 3.35Å |
| 235 | P | 82.9 | Confident | 72 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 42% | 0.416 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 123 | -175.3 | -29.2 | 31.6 | 0 | 0 | 0 | 112.4 | S237 H325 | P235-S237 PolarHBondContact O-N 3.08Å; P235-H325 VanDerWaalsContact CB-CD2 3.49Å; P235-H325 WeakPolarHBondContact CB-CD2 3.3Å; P235-H325 WeakPolarHBondContact CG-NE2 3.06Å |
| 236 | H | 84 | Confident | 74.6 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 17.5 | 179.3 | -47.6 | -77.8 | 0 | 0 | 0 | 116.3 | F215 V234 H238 G323 Y370 | F215-H236 HydrophobicContact CD2-CB 3.79Å; F215-H236 HydrophobicContact CE2-CB 3.95Å; V234-H236 PolarHBondContact O-N 3.03Å; V234-H236 VanDerWaalsContact O-N 3.11Å; H236-H238 PolarHBondContact O-N 3.39Å; H236-G323 PolarHBondContact CE1-O 3.15Å; H236-G323 VanDerWaalsContact CE1-O 3.23Å; H236-G323 PolarHBondContact ND1-O 3.1Å; H236-Y370 HydrophobicContact CB-CD1 3.88Å; H236-Y370 AromaticContact CD2-CD1 3.62Å; H236-Y370 AromaticContact CD2-CE1 3.93Å; H236-Y370 AromaticContact CG-CD1 3.5Å; H236-Y370 AromaticContact ND1-CD1 3.81Å; H236-Y370 AromaticContact NE2-CD1 3.99Å |
| 237 | S | 86.4 | Confident | 77.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -70.1 | -14.7 | 174.9 | 56.9 | 0 | 0 | 0 | 0 | 115.1 | P213 F215 V234 P235 P239 | P213-S237 VanDerWaalsContact CB-O 3.27Å; P213-S237 WeakPolarHBondContact CB-O 3.45Å; F215-S237 VanDerWaalsContact O-CA 3.29Å; F215-S237 WeakPolarHBondContact O-CA 3.4Å; F215-S237 WeakPolarHBondContact O-CB 3.44Å; V234-S237 PolarHBondContact N-OG 3.27Å; V234-S237 VanDerWaalsContact O-CB 3.26Å; V234-S237 WeakPolarHBondContact O-CB 3.46Å; V234-S237 PolarHBondContact O-N 2.85Å; V234-S237 PolarHBondContact O-OG 3.35Å; P235-S237 PolarHBondContact O-N 3.08Å; S237-P239 VanDerWaalsContact C-CD 3.44Å; S237-P239 VanDerWaalsContact O-CD 3.31Å; S237-P239 WeakPolarHBondContact O-CD 3.32Å |
| 238 | H | 90.4 | Very high | 79.1 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | trans | -118.9 | 70.8 | 175.2 | -63 | -85.1 | 0 | 0 | 0 | 110.7 | H236 W240 Q241 F391 T393 L417 Q419 | H236-H238 PolarHBondContact O-N 3.39Å; H238-W240 AromaticContact ND1-CZ2 3.9Å; H238-W240 AromaticContact ND1-NE1 3.94Å; H238-W240 PolarHBondContact O-N 3.03Å; H238-W240 VanDerWaalsContact O-N 3.1Å; H238-Q241 HydrophobicContact CB-CB 4.42Å; H238-Q241 WeakPolarHBondContact O-CB 3.46Å; H238-Q241 PolarHBondContact O-N 3.06Å; H238-Q241 VanDerWaalsContact O-N 3.08Å; H238-F391 AromaticContact CE1-CG 3.95Å; H238-T393 HydrophobicContact CB-CG2 4.45Å; H238-L417 HydrophobicContact CB-CD2 4.32Å; H238-Q419 PolarHBondContact NE2-OE1 3.09Å | ||
| 239 | P | 90.1 | Very high | 80.2 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.2 | -169.5 | 31.3 | -39.1 | 0 | 0 | 0 | 114.2 | P213 S237 Y370 I371 Q372 | P213-P239 HydrophobicContact CB-CG 3.88Å; S237-P239 VanDerWaalsContact C-CD 3.44Å; S237-P239 VanDerWaalsContact O-CD 3.31Å; S237-P239 WeakPolarHBondContact O-CD 3.32Å; P239-Y370 WeakPolarHBondContact CA-O 3.45Å; P239-Y370 WeakPolarHBondContact CB-O 3.43Å; P239-I371 WeakPolarHBondContact O-CA 3.35Å; P239-Q372 CarbonylContact C-O 3.39Å; P239-Q372 VanDerWaalsContact C-O 3.32Å; P239-Q372 HydrophobicContact CB-CB 4.03Å; P239-Q372 HydrophobicContact CB-CG 4.29Å; P239-Q372 HydrophobicContact CG-CB 3.94Å; P239-Q372 HydrophobicContact CG-CG 4.35Å; P239-Q372 PolarHBondContact O-N 3.2Å; P239-Q372 VanDerWaalsContact O-N 3.09Å |
| 240 | W | 92.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.5 | 174.4 | 44 | 75.4 | 0 | 0 | 0 | 113.9 | P213 H238 A242 L259 Q372 I374 A459 Y466 | P213-W240 HydrophobicContact CB-CH2 4.16Å; P213-W240 HydrophobicContact CB-CZ3 4.25Å; P213-W240 HydrophobicContact CG-CH2 3.89Å; P213-W240 HydrophobicContact CG-CZ3 4.3Å; H238-W240 AromaticContact ND1-CZ2 3.9Å; H238-W240 AromaticContact ND1-NE1 3.94Å; H238-W240 PolarHBondContact O-N 3.03Å; H238-W240 VanDerWaalsContact O-N 3.1Å; W240-A242 PolarHBondContact O-N 2.81Å; W240-L259 PolarHBondContact O-N 3.48Å; W240-Q372 WeakPolarHBondContact CA-O 3.44Å; W240-Q372 VanDerWaalsContact CB-O 3.3Å; W240-Q372 WeakPolarHBondContact CB-O 3.39Å; W240-Q372 PolarHBondContact N-O 2.89Å; W240-I374 HydrophobicContact CB-CB 3.79Å; W240-I374 HydrophobicContact CB-CG2 4.24Å; W240-I374 HydrophobicContact CD2-CB 3.82Å; W240-I374 HydrophobicContact CD2-CD1 4.06Å; W240-I374 HydrophobicContact CD2-CG1 4.09Å; W240-I374 HydrophobicContact CE3-CB 4.08Å; W240-I374 HydrophobicContact CE3-CG1 4.34Å; W240-I374 HydrophobicContact CG-CB 3.68Å; W240-I374 HydrophobicContact CG-CD1 4.2Å; W240-I374 HydrophobicContact CG-CG1 4.33Å; W240-I374 HydrophobicContact CG-CG2 4.39Å; W240-I374 HydrophobicContact CZ2-CD1 4.47Å; W240-A459 HydrophobicContact CZ2-CB 4.35Å; W240-Y466 VanDerWaalsContact CH2-CB 3.45Å; W240-Y466 HydrophobicContact CH2-CD1 4.43Å; W240-Y466 AromaticContact CH2-CD2 3.51Å; W240-Y466 HydrophobicContact CH2-CD2 3.51Å; W240-Y466 HydrophobicContact CH2-CE2 4.37Å; W240-Y466 AromaticContact CH2-CG 3.53Å; W240-Y466 HydrophobicContact CH2-CG 3.53Å; W240-Y466 HydrophobicContact CZ2-CD1 4.3Å; W240-Y466 HydrophobicContact CZ2-CD2 4.16Å; W240-Y466 AromaticContact CZ2-CG 3.79Å; W240-Y466 HydrophobicContact CZ2-CG 3.79Å; W240-Y466 HydrophobicContact CZ3-CD2 4.45Å |
| 241 | Q | 93.7 | Very high | 81.4 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 124.1 | -179.9 | -174.9 | 71.3 | 32.4 | 0 | 0 | 110.5 | H238 T393 W395 L417 P457 | H238-Q241 HydrophobicContact CB-CB 4.42Å; H238-Q241 WeakPolarHBondContact O-CB 3.46Å; H238-Q241 PolarHBondContact O-N 3.06Å; H238-Q241 VanDerWaalsContact O-N 3.08Å; Q241-T393 PolarHBondContact OE1-OG1 2.91Å; Q241-W395 HydrophobicContact CG-CH2 3.5Å; Q241-W395 HydrophobicContact CG-CZ3 3.57Å; Q241-L417 HydrophobicContact CB-CD2 4.35Å; Q241-L417 HydrophobicContact CG-CD1 3.89Å; Q241-L417 HydrophobicContact CG-CD2 4.17Å; Q241-P457 VanDerWaalsContact OE1-CG 3.32Å |
| 242 | A | 92.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 143.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | W240 G257 V271 V320 F322 | W240-A242 PolarHBondContact O-N 2.81Å; A242-G257 PolarHBondContact N-O 3.25Å; A242-G257 PolarHBondContact O-N 3.35Å; A242-V271 HydrophobicContact CB-CG1 4.04Å; A242-V320 HydrophobicContact CB-CG1 3.96Å; A242-F322 HydrophobicContact CB-CD1 3.99Å; A242-F322 HydrophobicContact CB-CE1 3.63Å; A242-F322 HydrophobicContact CB-CZ 4.45Å |
| 243 | L | 92 | Very high | 81.3 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.7 | 170.1 | 174.9 | 62.9 | 0 | 0 | 0 | 108.5 | Y245 V320 Y321 V324 L327 W395 | L243-Y245 HydrophobicContact CD1-CE2 4.47Å; L243-Y245 HydrophobicContact CD2-CD2 4.39Å; L243-Y245 HydrophobicContact CD2-CE2 3.55Å; L243-Y245 HydrophobicContact CG-CD2 4.26Å; L243-Y245 HydrophobicContact CG-CE2 3.86Å; L243-V320 WeakPolarHBondContact O-CA 3.08Å; L243-Y321 PolarHBondContact N-O 3.43Å; L243-Y321 PolarHBondContact O-N 2.98Å; L243-V324 HydrophobicContact CD2-CG1 4.37Å; L243-L327 HydrophobicContact CD2-CD2 3.6Å; L243-W395 HydrophobicContact CB-CE3 4.37Å; L243-W395 HydrophobicContact CB-CH2 3.96Å; L243-W395 HydrophobicContact CB-CZ3 3.74Å; L243-W395 HydrophobicContact CD1-CD2 4.38Å; L243-W395 HydrophobicContact CD1-CE3 3.82Å; L243-W395 HydrophobicContact CD1-CZ3 4.07Å; L243-W395 HydrophobicContact CG-CZ3 4.41Å |
| 244 | I | 90.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.6 | -177.4 | -55.7 | 168.5 | 0 | 0 | 0 | 108.4 | I246 K254 C255 G256 V271 T273 V318 D319 V320 L359 | I244-I246 HydrophobicContact CG2-CD1 4.17Å; I244-I246 HydrophobicContact CG2-CG1 3.95Å; I244-K254 WeakPolarHBondContact O-CA 3.48Å; I244-C255 HydrophobicContact CB-CB 4.3Å; I244-C255 PolarHBondContact N-O 3.22Å; I244-C255 PolarHBondContact O-N 2.85Å; I244-G256 WeakPolarHBondContact CD1-O 3.28Å; I244-V271 HydrophobicContact CD1-CG1 4.47Å; I244-T273 HydrophobicContact CD1-CG2 3.99Å; I244-V318 HydrophobicContact CG2-CG1 3.6Å; I244-D319 WeakPolarHBondContact CA-O 3.39Å; I244-V320 HydrophobicContact CG1-CG1 4.23Å; I244-V320 HydrophobicContact CG1-CG2 4.3Å; I244-L359 HydrophobicContact CD1-CD1 3.67Å; I244-L359 HydrophobicContact CG1-CD1 4.28Å; I244-L359 HydrophobicContact CG2-CD1 4.4Å |
| 245 | Y | 87.5 | Confident | 81.6 | Confident | 52 Ų | 52 | 38 Ų | 38 | 20% | 0.204 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.7 | 171.2 | -80.1 | -73 | 0 | 0 | 0 | 109.8 | L243 V252 S253 K254 V318 D319 Y321 | L243-Y245 HydrophobicContact CD1-CE2 4.47Å; L243-Y245 HydrophobicContact CD2-CD2 4.39Å; L243-Y245 HydrophobicContact CD2-CE2 3.55Å; L243-Y245 HydrophobicContact CG-CD2 4.26Å; L243-Y245 HydrophobicContact CG-CE2 3.86Å; Y245-V252 HydrophobicContact CD1-CG1 3.43Å; Y245-V252 VanDerWaalsContact CD1-CG1 3.43Å; Y245-V252 HydrophobicContact CE1-CG1 4Å; Y245-V252 HydrophobicContact CG-CG1 4.42Å; Y245-S253 WeakPolarHBondContact CA-O 3.2Å; Y245-K254 HydrophobicContact CD1-CG 3.82Å; Y245-K254 HydrophobicContact CE1-CD 3.88Å; Y245-K254 VanDerWaalsContact CE1-CE 3.42Å; Y245-K254 HydrophobicContact CE1-CG 3.43Å; Y245-K254 VanDerWaalsContact CE1-CG 3.43Å; Y245-K254 WeakPolarHBondContact OH-CE 3.46Å; Y245-V318 WeakPolarHBondContact O-CA 3.29Å; Y245-D319 PolarHBondContact N-O 3.09Å; Y245-D319 PolarHBondContact O-N 3.18Å; Y245-Y321 AromaticContact CD2-CD2 3.84Å; Y245-Y321 HydrophobicContact CD2-CD2 3.84Å; Y245-Y321 AromaticContact CD2-CE2 3.72Å; Y245-Y321 HydrophobicContact CD2-CE2 3.72Å; Y245-Y321 HydrophobicContact CE2-CD2 4.34Å; Y245-Y321 HydrophobicContact CE2-CE2 4.35Å |
| 246 | I | 81.4 | Confident | 81.8 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.9 | -178.9 | -56.8 | 174 | 0 | 0 | 0 | 107.4 | I244 I248 V252 S253 C277 V278 A313 D317 V318 | I244-I246 HydrophobicContact CG2-CD1 4.17Å; I244-I246 HydrophobicContact CG2-CG1 3.95Å; I246-I248 HydrophobicContact CG2-CD1 3.93Å; I246-I248 HydrophobicContact CG2-CG1 4.01Å; I246-V252 CarbonylContact O-C 3.55Å; I246-V252 WeakPolarHBondContact O-CA 3.25Å; I246-S253 PolarHBondContact N-O 3.02Å; I246-S253 PolarHBondContact O-N 3.01Å; I246-C277 WeakPolarHBondContact CD1-O 3.36Å; I246-V278 HydrophobicContact CD1-CG1 4.05Å; I246-A313 HydrophobicContact CG2-CB 3.96Å; I246-D317 WeakPolarHBondContact CA-O 3.3Å; I246-V318 HydrophobicContact CG1-CG1 4.22Å; I246-V318 HydrophobicContact CG1-CG2 4.14Å; I246-V318 HydrophobicContact CG2-CG2 4.41Å |
| 247 | T | 81 | Confident | 82.2 | Confident | 56 Ų | 56 | 33.3 Ų | 33.3 | 34% | 0.344 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 99.6 | -173.8 | -52.5 | 0 | 0 | 0 | 0 | 109.9 | L251 V252 D317 | T247-L251 WeakPolarHBondContact CA-O 3.28Å; T247-V252 HydrophobicContact CG2-CG2 4.06Å; T247-D317 PolarHBondContact N-O 3.09Å; T247-D317 WeakPolarHBondContact O-CB 3.08Å |
| 248 | I | 67 | Low | 82.6 | Confident | 25 Ų | 25 | 33.2 Ų | 33.2 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 121.3 | 178.6 | -59.6 | 171.5 | 0 | 0 | 0 | 107.8 | I246 G250 L251 D280 D282 A313 | I246-I248 HydrophobicContact CG2-CD1 3.93Å; I246-I248 HydrophobicContact CG2-CG1 4.01Å; I248-G250 PolarHBondContact O-N 2.93Å; I248-L251 PolarHBondContact N-O 3.26Å; I248-L251 WeakPolarHBondContact O-CB 3.48Å; I248-L251 PolarHBondContact O-N 2.83Å; I248-D280 HydrophobicContact CD1-CB 4.18Å; I248-D282 HydrophobicContact CG2-CB 4.36Å; I248-A313 HydrophobicContact CD1-CB 4.11Å |
| 249 | N | 62.6 | Low | 82.8 | Confident | 127 Ų | 127 | 33 Ų | 33 | 68% | 0.679 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 31 | 179.4 | -64.4 | -35.4 | 0 | 0 | 0 | 115.2 | L251 D282 | N249-L251 VanDerWaalsContact C-N 3.31Å; N249-D282 PolarHBondContact ND2-OD2 2.64Å |
| 250 | G | 65.5 | Low | 82.7 | Confident | 63 Ų | 63 | 32.8 Ų | 32.8 | 65% | 0.649 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -5.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I248 | I248-G250 PolarHBondContact O-N 2.93Š|
| 251 | L | 60.9 | Low | 82 | Confident | 121 Ų | 121 | 33.1 Ų | 33.1 | 63% | 0.634 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124.4 | 168.3 | -72.1 | 163.2 | 0 | 0 | 0 | 109.1 | T247 I248 N249 | T247-L251 WeakPolarHBondContact CA-O 3.28Å; I248-L251 PolarHBondContact N-O 3.26Å; I248-L251 WeakPolarHBondContact O-CB 3.48Å; I248-L251 PolarHBondContact O-N 2.83Å; N249-L251 VanDerWaalsContact C-N 3.31Å |
| 252 | V | 69.4 | Low | 80.7 | Confident | 85 Ų | 85 | 35.4 Ų | 35.4 | 52% | 0.515 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111.3 | -179.7 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | Y245 I246 T247 | Y245-V252 HydrophobicContact CD1-CG1 3.43Å; Y245-V252 VanDerWaalsContact CD1-CG1 3.43Å; Y245-V252 HydrophobicContact CE1-CG1 4Å; Y245-V252 HydrophobicContact CG-CG1 4.42Å; I246-V252 CarbonylContact O-C 3.55Å; I246-V252 WeakPolarHBondContact O-CA 3.25Å; T247-V252 HydrophobicContact CG2-CG2 4.06Å |
| 253 | S | 74.9 | Confident | 79 | Confident | 68 Ų | 68 | 37.6 Ų | 37.6 | 48% | 0.476 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 155 | 171.3 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | Y245 I246 | Y245-S253 WeakPolarHBondContact CA-O 3.2Å; I246-S253 PolarHBondContact N-O 3.02Å; I246-S253 PolarHBondContact O-N 3.01Å |
| 254 | K | 80.3 | Confident | 77 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 30% | 0.296 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.6 | 179.2 | -68.4 | 179.2 | -171.2 | 169 | 0 | 110.9 | I244 Y245 | I244-K254 WeakPolarHBondContact O-CA 3.48Å; Y245-K254 HydrophobicContact CD1-CG 3.82Å; Y245-K254 HydrophobicContact CE1-CD 3.88Å; Y245-K254 VanDerWaalsContact CE1-CE 3.42Å; Y245-K254 HydrophobicContact CE1-CG 3.43Å; Y245-K254 VanDerWaalsContact CE1-CG 3.43Å; Y245-K254 WeakPolarHBondContact OH-CE 3.46Å |
| 255 | C | 87 | Confident | 75.4 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 158.9 | 171.5 | -87.4 | 0 | 0 | 0 | 0 | 112.2 | I244 C277 | I244-C255 HydrophobicContact CB-CB 4.3Å; I244-C255 PolarHBondContact N-O 3.22Å; I244-C255 PolarHBondContact O-N 2.85Å; C255-C277 HydrophobicContact CB-CB 3.67Å; C255-C277 WeakPolarHBondContact CB-SG 3.45Å; C255-C277 WeakPolarHBondContact SG-CB 3.15Å; C255-C277 CovalentContact SG-SG 2.04Å; C255-C277 PolarHBondContact SG-SG 2.93Å |
| 256 | G | 87.9 | Confident | 73.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 160.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I244 T273 S454 G455 | I244-G256 WeakPolarHBondContact CD1-O 3.28Å; G256-T273 PolarHBondContact O-OG1 2.63Å; G256-S454 PolarHBondContact N-O 3.35Å; G256-G455 VanDerWaalsContact C-C 3.42Å; G256-G455 CarbonylContact C-O 3.55Å; G256-G455 CarbonylContact O-C 3.31Å; G256-G455 WeakPolarHBondContact O-CA 3.4Å |
| 257 | G | 92.9 | Very high | 73 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 170.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | A242 L272 G455 | A242-G257 PolarHBondContact N-O 3.25Å; A242-G257 PolarHBondContact O-N 3.35Å; G257-L272 CarbonylContact C-O 3.52Å; G257-L272 VanDerWaalsContact CA-O 3.28Å; G257-L272 WeakPolarHBondContact CA-O 3.36Å; G257-G455 WeakPolarHBondContact CA-O 3.33Å |
| 258 | S | 95 | Very high | 72.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.1 | -179.2 | -50.4 | 0 | 0 | 0 | 0 | 110.1 | I260 V271 L272 P457 | S258-I260 PolarHBondContact O-N 2.89Å; S258-V271 CarbonylContact O-C 3.52Å; S258-V271 VanDerWaalsContact O-CA 3.32Å; S258-V271 WeakPolarHBondContact O-CA 3.24Å; S258-L272 PolarHBondContact N-O 3.42Å; S258-L272 PolarHBondContact O-N 2.8Å; S258-P457 VanDerWaalsContact OG-CB 3.31Å; S258-P457 WeakPolarHBondContact OG-CB 3.39Å |
| 259 | L | 93.3 | Very high | 73.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 114 | 168.2 | -175 | 61.9 | 0 | 0 | 0 | 108.5 | W240 V271 F322 V365 Y367 I371 G373 I374 | W240-L259 PolarHBondContact O-N 3.48Å; L259-V271 HydrophobicContact CD1-CG2 4.35Å; L259-F322 HydrophobicContact CB-CD1 4.12Å; L259-F322 HydrophobicContact CB-CE1 3.84Å; L259-F322 HydrophobicContact CD1-CE1 3.86Å; L259-F322 HydrophobicContact CD1-CZ 4.17Å; L259-F322 HydrophobicContact CD2-CD1 4.06Å; L259-F322 HydrophobicContact CD2-CE1 4.22Å; L259-F322 HydrophobicContact CG-CD1 4.48Å; L259-F322 HydrophobicContact CG-CE1 4.19Å; L259-V365 HydrophobicContact CD1-CB 4.43Å; L259-V365 HydrophobicContact CD1-CG2 4.17Å; L259-V365 HydrophobicContact CD2-CB 4.22Å; L259-V365 HydrophobicContact CD2-CG1 4.1Å; L259-Y367 HydrophobicContact CD2-CD1 4.39Å; L259-Y367 HydrophobicContact CD2-CE1 3.79Å; L259-Y367 HydrophobicContact CG-CE1 4.42Å; L259-I371 HydrophobicContact CD2-CG2 3.82Å; L259-G373 VanDerWaalsContact O-CA 3.31Å; L259-G373 WeakPolarHBondContact O-CA 3.28Å; L259-I374 PolarHBondContact O-N 3.33Å |
| 260 | I | 88.7 | Confident | 74.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -98.2 | 135.3 | -176.4 | 53.5 | 162.8 | 0 | 0 | 0 | 111.1 | S258 W262 S268 L270 L272 I374 L376 L468 M500 | S258-I260 PolarHBondContact O-N 2.89Å; I260-W262 HydrophobicContact CD1-CB 4.36Å; I260-W262 HydrophobicContact CD1-CE3 4.18Å; I260-W262 PolarHBondContact O-N 2.9Å; I260-S268 WeakPolarHBondContact O-CB 3.36Å; I260-S268 PolarHBondContact O-OG 2.94Å; I260-L270 HydrophobicContact CD1-CB 3.85Å; I260-L270 HydrophobicContact CD1-CD1 4.34Å; I260-L270 HydrophobicContact CG1-CB 3.72Å; I260-L270 WeakPolarHBondContact CG1-O 3.41Å; I260-L270 PolarHBondContact N-O 2.81Å; I260-L272 HydrophobicContact CD1-CD1 4.34Å; I260-L272 HydrophobicContact CD1-CG 4.05Å; I260-L272 HydrophobicContact CG2-CB 4.3Å; I260-L272 HydrophobicContact CG2-CD1 3.78Å; I260-L272 HydrophobicContact CG2-CG 3.92Å; I260-I374 HydrophobicContact CG2-CG2 4.38Å; I260-L376 HydrophobicContact CB-CD2 4.49Å; I260-L376 HydrophobicContact CD1-CD1 4.39Å; I260-L376 HydrophobicContact CG2-CD2 3.98Å; I260-L468 HydrophobicContact CG2-CD2 3.88Å; I260-M500 HydrophobicContact CD1-CE 3.33Å |
| 261 | D | 77.8 | Confident | 75.9 | Confident | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | trans | -87.7 | 88.1 | 168.1 | -154.8 | -20.7 | 0 | 0 | 0 | 109.3 | C210 D264 R265 Y367 I374 | C210-D261 HydrophobicContact CB-CB 3.85Å; D261-D264 VanDerWaalsContact OD1-CA 3.25Å; D261-D264 WeakPolarHBondContact OD1-CA 3.41Å; D261-D264 PolarHBondContact OD1-N 3.34Å; D261-D264 VanDerWaalsContact OD1-N 3.08Å; D261-R265 PolarHBondContact OD1-N 2.96Å; D261-Y367 WeakPolarHBondContact OD2-CE2 3.4Å; D261-Y367 PolarHBondContact OD2-OH 2.77Å; D261-I374 PolarHBondContact N-O 2.86Å; D261-I374 VanDerWaalsContact N-O 3.09Å | ||
| 262 | W | 67.3 | Low | 77.5 | Confident | 54 Ų | 54 | 26.3 Ų | 26.3 | 21% | 0.205 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -78 | -32.6 | -174.9 | -178.4 | -97.3 | 0 | 0 | 0 | 113.3 | I260 L270 L376 L497 M500 K501 | I260-W262 HydrophobicContact CD1-CB 4.36Å; I260-W262 HydrophobicContact CD1-CE3 4.18Å; I260-W262 PolarHBondContact O-N 2.9Å; W262-L270 HydrophobicContact CB-CD1 3.94Å; W262-L270 HydrophobicContact CG-CD1 4.06Å; W262-L376 HydrophobicContact CD2-CD1 4.39Å; W262-L376 HydrophobicContact CE3-CD1 3.26Å; W262-L376 HydrophobicContact CZ3-CD1 3.57Å; W262-L497 HydrophobicContact CZ3-CD2 4.25Å; W262-M500 HydrophobicContact CE3-CE 3.5Å; W262-M500 VanDerWaalsContact CE3-CE 3.5Å; W262-M500 HydrophobicContact CH2-CB 3.43Å; W262-M500 VanDerWaalsContact CH2-CB 3.43Å; W262-M500 HydrophobicContact CH2-CE 4.31Å; W262-M500 HydrophobicContact CZ2-CB 4.26Å; W262-M500 HydrophobicContact CZ3-CB 3.61Å; W262-M500 HydrophobicContact CZ3-CE 3.31Å; W262-M500 HydrophobicContact CZ3-CG 4.33Å; W262-M500 HydrophobicContact CZ3-SD 3.84Å; W262-K501 HydrophobicContact CH2-CG 3.73Å; W262-K501 HydrophobicContact CZ2-CB 4.19Å; W262-K501 HydrophobicContact CZ2-CG 3.44Å; W262-K501 VanDerWaalsContact CZ2-CG 3.44Å |
| 263 | D | 55.7 | Low | 78.6 | Confident | 45 Ų | 45 | 22.2 Ų | 22.2 | 24% | 0.241 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -116.9 | 9.5 | -171.2 | -70.1 | -43.9 | 0 | 0 | 0 | 113.5 | R265 | D263-R265 HydrophobicContact CB-CB 4.48Å; D263-R265 HydrophobicContact CB-CG 3.76Å; D263-R265 VanDerWaalsContact CG-NH2 3.28Å; D263-R265 WeakPolarHBondContact O-CG 3.44Å; D263-R265 PolarHBondContact O-N 2.84Å; D263-R265 IonicContact OD1-NH2 3.08Å; D263-R265 IonicContact OD2-CZ 3.89Å; D263-R265 VanDerWaalsContact OD2-CZ 3.3Å; D263-R265 IonicContact OD2-NE 2.89Å; D263-R265 PolarHBondContact OD2-NE 3.24Å; D263-R265 IonicContact OD2-NH2 3.64Å; D263-R265 PolarHBondContact OD2-NH2 3.02Å |
| 264 | D | 51.2 | Low | 79.2 | Confident | 47 Ų | 47 | 19 Ų | 19 | 25% | 0.251 | 9% | 0.093 | S | C | . | . | S | Bend | trans | 51.7 | 35.6 | -172.2 | -60.8 | -39.4 | 0 | 0 | 0 | 112.6 | D261 | D261-D264 VanDerWaalsContact OD1-CA 3.25Å; D261-D264 WeakPolarHBondContact OD1-CA 3.41Å; D261-D264 PolarHBondContact OD1-N 3.34Å; D261-D264 VanDerWaalsContact OD1-N 3.08Å |
| 265 | R | 55.7 | Low | 79.3 | Confident | 61 Ų | 61 | 15.8 Ų | 15.8 | 23% | 0.23 | 8% | 0.079 | C | C | . | . | trans | -102.4 | 133.5 | 179 | -62.3 | -167.6 | -112.2 | -156.9 | -6.7 | 105.9 | D261 D263 S267 | D261-R265 PolarHBondContact OD1-N 2.96Å; D263-R265 HydrophobicContact CB-CB 4.48Å; D263-R265 HydrophobicContact CB-CG 3.76Å; D263-R265 VanDerWaalsContact CG-NH2 3.28Å; D263-R265 WeakPolarHBondContact O-CG 3.44Å; D263-R265 PolarHBondContact O-N 2.84Å; D263-R265 IonicContact OD1-NH2 3.08Å; D263-R265 IonicContact OD2-CZ 3.89Å; D263-R265 VanDerWaalsContact OD2-CZ 3.3Å; D263-R265 IonicContact OD2-NE 2.89Å; D263-R265 PolarHBondContact OD2-NE 3.24Å; D263-R265 IonicContact OD2-NH2 3.64Å; D263-R265 PolarHBondContact OD2-NH2 3.02Å; R265-S267 CarbonylContact O-C 3.15Å; R265-S267 PolarHBondContact O-N 3.38Å | ||
| 266 | N | 55 | Low | 79.1 | Confident | 52 Ų | 52 | 17.8 Ų | 17.8 | 28% | 0.278 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -49.7 | 10.3 | 175.9 | -83.4 | -30.7 | 0 | 0 | 0 | 116.6 | K136 Y367 | K136-N266 PolarHBondContact NZ-OD1 3.21Å; K136-N266 VanDerWaalsContact NZ-OD1 3.16Å; N266-Y367 VanDerWaalsContact O-CB 3.29Å; N266-Y367 WeakPolarHBondContact O-CB 2.99Å; N266-Y367 WeakPolarHBondContact O-CD2 3.39Å |
| 267 | S | 63.5 | Low | 78.8 | Confident | 30 Ų | 30 | 18.2 Ų | 18.2 | 21% | 0.21 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 141 | 172.4 | 57 | 0 | 0 | 0 | 0 | 110 | R265 K364 V365 | R265-S267 CarbonylContact O-C 3.15Å; R265-S267 PolarHBondContact O-N 3.38Å; S267-K364 VanDerWaalsContact OG-CD 3.26Å; S267-K364 WeakPolarHBondContact OG-CD 3.18Å; S267-V365 VanDerWaalsContact CA-O 3.27Å; S267-V365 WeakPolarHBondContact CA-O 3.38Å; S267-V365 WeakPolarHBondContact CB-O 3.42Å |
| 268 | S | 76.5 | Confident | 78.2 | Confident | 6 Ų | 6 | 18.2 Ų | 18.2 | 4% | 0.042 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 150.4 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | I260 L270 V365 Y367 | I260-S268 WeakPolarHBondContact O-CB 3.36Å; I260-S268 PolarHBondContact O-OG 2.94Å; S268-L270 PolarHBondContact OG-N 3.41Å; S268-V365 WeakPolarHBondContact O-CB 3.49Å; S268-V365 PolarHBondContact O-N 3.21Å; S268-Y367 VanDerWaalsContact CB-OH 3.32Å; S268-Y367 WeakPolarHBondContact CB-OH 3.11Å |
| 269 | D | 81 | Confident | 77.1 | Confident | 15 Ų | 15 | 19.5 Ų | 19.5 | 8% | 0.08 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 19.4 | 173.8 | 55.2 | 4.2 | 0 | 0 | 0 | 111.8 | K360 L361 K364 N561 | D269-K360 IonicContact OD1-NZ 3.62Å; D269-K360 PolarHBondContact OD1-NZ 3.3Å; D269-K360 WeakPolarHBondContact OD2-CE 3.31Å; D269-K360 IonicContact OD2-NZ 3.4Å; D269-K360 PolarHBondContact OD2-NZ 3.09Å; D269-L361 HydrophobicContact CB-CB 4.2Å; D269-L361 WeakPolarHBondContact O-CG 3.45Å; D269-L361 PolarHBondContact O-N 3.22Å; D269-K364 HydrophobicContact CB-CG 4Å; D269-N561 PolarHBondContact OD2-ND2 3.26Å |
| 270 | L | 88.4 | Confident | 75.8 | Confident | 7 Ų | 7 | 20.7 Ų | 20.7 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.4 | -178.5 | -64.2 | 174.9 | 0 | 0 | 0 | 111.2 | I260 W262 S268 I358 K360 I504 | I260-L270 HydrophobicContact CD1-CB 3.85Å; I260-L270 HydrophobicContact CD1-CD1 4.34Å; I260-L270 HydrophobicContact CG1-CB 3.72Å; I260-L270 WeakPolarHBondContact CG1-O 3.41Å; I260-L270 PolarHBondContact N-O 2.81Å; W262-L270 HydrophobicContact CB-CD1 3.94Å; W262-L270 HydrophobicContact CG-CD1 4.06Å; S268-L270 PolarHBondContact OG-N 3.41Å; L270-I358 HydrophobicContact CD2-CG2 3.78Å; L270-K360 HydrophobicContact CD2-CD 3.47Å; L270-K360 VanDerWaalsContact CD2-CD 3.47Å; L270-I504 HydrophobicContact CD1-CD1 4.09Å; L270-I504 HydrophobicContact CD2-CD1 4.25Å |
| 271 | V | 92.7 | Very high | 74.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.5 | 173.6 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | A242 I244 S258 L259 V320 F322 I358 L359 L361 | A242-V271 HydrophobicContact CB-CG1 4.04Å; I244-V271 HydrophobicContact CD1-CG1 4.47Å; S258-V271 CarbonylContact O-C 3.52Å; S258-V271 VanDerWaalsContact O-CA 3.32Å; S258-V271 WeakPolarHBondContact O-CA 3.24Å; L259-V271 HydrophobicContact CD1-CG2 4.35Å; V271-V320 HydrophobicContact CG2-CG1 4.31Å; V271-F322 HydrophobicContact CG2-CE1 3.76Å; V271-F322 HydrophobicContact CG2-CZ 3.53Å; V271-I358 WeakPolarHBondContact O-CA 3.34Å; V271-L359 HydrophobicContact CB-CB 4.25Å; V271-L359 PolarHBondContact N-O 2.81Å; V271-L359 PolarHBondContact O-N 3.3Å; V271-L361 HydrophobicContact CG2-CD1 4.06Å; V271-L361 HydrophobicContact CG2-CD2 4.19Å; V271-L361 HydrophobicContact CG2-CG 4.34Å |
| 272 | L | 93.3 | Very high | 73 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 135.8 | 168.1 | -74.5 | -178.4 | 0 | 0 | 0 | 110.6 | G257 S258 I260 I356 A357 I358 L376 L468 I471 V493 M500 | G257-L272 CarbonylContact C-O 3.52Å; G257-L272 VanDerWaalsContact CA-O 3.28Å; G257-L272 WeakPolarHBondContact CA-O 3.36Å; S258-L272 PolarHBondContact N-O 3.42Å; S258-L272 PolarHBondContact O-N 2.8Å; I260-L272 HydrophobicContact CD1-CD1 4.34Å; I260-L272 HydrophobicContact CD1-CG 4.05Å; I260-L272 HydrophobicContact CG2-CB 4.3Å; I260-L272 HydrophobicContact CG2-CD1 3.78Å; I260-L272 HydrophobicContact CG2-CG 3.92Å; L272-I356 HydrophobicContact CD1-CD1 4.46Å; L272-I356 HydrophobicContact CD2-CD1 4.06Å; L272-I356 HydrophobicContact CD2-CG1 4.15Å; L272-A357 WeakPolarHBondContact CA-O 3.29Å; L272-I358 HydrophobicContact CD2-CB 4.49Å; L272-I358 HydrophobicContact CD2-CG1 3.66Å; L272-L376 HydrophobicContact CD1-CD2 4.31Å; L272-L468 HydrophobicContact CD1-CD2 3.95Å; L272-I471 HydrophobicContact CB-CD1 3.88Å; L272-I471 HydrophobicContact CD1-CD1 4.27Å; L272-V493 HydrophobicContact CD1-CG1 4.43Å; L272-M500 HydrophobicContact CD1-CE 3.7Å; L272-M500 HydrophobicContact CD1-SD 3.97Å; L272-M500 HydrophobicContact CD2-CE 3.82Å; L272-M500 HydrophobicContact CD2-SD 4.18Å; L272-M500 HydrophobicContact CG-CE 4Å |
| 273 | T | 92.4 | Very high | 72.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 179.6 | 174.4 | -171 | 0 | 0 | 0 | 0 | 109.8 | I244 G256 I356 A357 L359 | I244-T273 HydrophobicContact CD1-CG2 3.99Å; G256-T273 PolarHBondContact O-OG1 2.63Å; T273-I356 CarbonylContact O-C 3.52Å; T273-I356 WeakPolarHBondContact O-CA 3.37Å; T273-A357 HydrophobicContact CG2-CB 4.2Å; T273-A357 PolarHBondContact N-O 3.17Å; T273-A357 PolarHBondContact O-N 3.06Å; T273-L359 HydrophobicContact CG2-CD1 4.06Å; T273-L359 HydrophobicContact CG2-CD2 4.31Å; T273-L359 HydrophobicContact CG2-CG 4.04Å |
| 274 | A | 87.7 | Confident | 71.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -76.5 | 143.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110 | H276 C277 I471 | A274-H276 VanDerWaalsContact C-N 3.26Å; A274-H276 WeakPolarHBondContact CB-ND1 3.06Å; A274-H276 PolarHBondContact O-N 2.96Å; A274-C277 WeakPolarHBondContact O-CB 3.31Å; A274-C277 PolarHBondContact O-N 3.02Å; A274-I471 HydrophobicContact CB-CG2 4.36Å | ||
| 275 | A | 83 | Confident | 71.2 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -62.2 | -38.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C277 V278 I279 F347 D355 A357 | A275-C277 PolarHBondContact O-N 3.04Å; A275-C277 VanDerWaalsContact O-N 3.13Å; A275-V278 VanDerWaalsContact O-CG2 3.24Å; A275-V278 WeakPolarHBondContact O-CG2 3.49Å; A275-V278 PolarHBondContact O-N 3.18Å; A275-I279 WeakPolarHBondContact O-CG1 3.49Å; A275-F347 HydrophobicContact CB-CB 4.02Å; A275-F347 HydrophobicContact CB-CD2 4.03Å; A275-F347 HydrophobicContact CB-CG 4.15Å; A275-D355 WeakPolarHBondContact CA-OD1 3.42Å; A275-D355 PolarHBondContact N-OD1 2.93Å; A275-A357 HydrophobicContact CB-CB 4.46Å |
| 276 | H | 81.7 | Confident | 70.2 | Confident | 49 Ų | 49 | 35.4 Ų | 35.4 | 23% | 0.227 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63.8 | -19.5 | -179.8 | 82.3 | -97.1 | 0 | 0 | 0 | 114.3 | A274 V278 I279 F347 D355 S454 S473 | A274-H276 VanDerWaalsContact C-N 3.26Å; A274-H276 WeakPolarHBondContact CB-ND1 3.06Å; A274-H276 PolarHBondContact O-N 2.96Å; H276-V278 VanDerWaalsContact C-N 3.28Å; H276-V278 PolarHBondContact O-N 3.35Å; H276-I279 HydrophobicContact CB-CD1 4.39Å; H276-F347 HydrophobicContact CB-CZ 4.33Å; H276-D355 IonicContact CE1-OD2 4Å; H276-D355 IonicContact CG-OD1 2.81Å; H276-D355 IonicContact CG-OD2 3.5Å; H276-D355 PolarHBondContact N-OD1 3.11Å; H276-D355 IonicContact ND1-OD1 3.05Å; H276-D355 PolarHBondContact ND1-OD1 3.17Å; H276-D355 IonicContact ND1-OD2 3.76Å; H276-D355 PolarHBondContact ND1-OD2 3.03Å; H276-S454 PolarHBondContact CE1-OG 3.29Å; H276-S454 WeakPolarHBondContact NE2-CB 3.43Å; H276-S454 PolarHBondContact NE2-OG 2.8Å; H276-S454 VanDerWaalsContact NE2-OG 3.08Å; H276-S473 PolarHBondContact CE1-O 3.41Å |
| 277 | C | 82.1 | Confident | 69.3 | Low | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -65 | -36.3 | 174 | -78.1 | 0 | 0 | 0 | 0 | 111.3 | I246 C255 A274 A275 S454 | I246-C277 WeakPolarHBondContact CD1-O 3.36Å; C255-C277 HydrophobicContact CB-CB 3.67Å; C255-C277 WeakPolarHBondContact CB-SG 3.45Å; C255-C277 WeakPolarHBondContact SG-CB 3.15Å; C255-C277 CovalentContact SG-SG 2.04Å; C255-C277 PolarHBondContact SG-SG 2.93Å; A274-C277 WeakPolarHBondContact O-CB 3.31Å; A274-C277 PolarHBondContact O-N 3.02Å; A275-C277 PolarHBondContact O-N 3.04Å; A275-C277 VanDerWaalsContact O-N 3.13Å; C277-S454 PolarHBondContact SG-O 3.04Å |
| 278 | V | 79.6 | Confident | 68 | Low | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -105.8 | 16.1 | -171.3 | -68.6 | 0 | 0 | 0 | 0 | 114 | I246 A275 H276 L312 A313 I342 A357 L359 | I246-V278 HydrophobicContact CD1-CG1 4.05Å; A275-V278 VanDerWaalsContact O-CG2 3.24Å; A275-V278 WeakPolarHBondContact O-CG2 3.49Å; A275-V278 PolarHBondContact O-N 3.18Å; H276-V278 VanDerWaalsContact C-N 3.28Å; H276-V278 PolarHBondContact O-N 3.35Å; V278-L312 HydrophobicContact CG2-CD2 4.28Å; V278-L312 CarbonylContact O-C 3.15Å; V278-L312 VanDerWaalsContact O-CA 3.3Å; V278-L312 WeakPolarHBondContact O-CA 3.46Å; V278-A313 PolarHBondContact O-N 3.2Å; V278-I342 HydrophobicContact CB-CD1 4.21Å; V278-I342 HydrophobicContact CB-CG2 3.85Å; V278-I342 HydrophobicContact CG1-CD1 4.26Å; V278-I342 HydrophobicContact CG1-CG2 4.29Å; V278-I342 HydrophobicContact CG2-CG2 3.55Å; V278-A357 HydrophobicContact CG2-CB 3.87Å; V278-L359 HydrophobicContact CG1-CD2 3.91Å |
| 279 | I | 72.2 | Confident | 66.1 | Low | 27 Ų | 27 | 43.2 Ų | 43.2 | 14% | 0.138 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 134 | 172.7 | -67.7 | 171.4 | 0 | 0 | 0 | 109.2 | A275 H276 T281 V310 F347 | A275-I279 WeakPolarHBondContact O-CG1 3.49Å; H276-I279 HydrophobicContact CB-CD1 4.39Å; I279-T281 PolarHBondContact O-N 2.84Å; I279-V310 HydrophobicContact CB-CG1 4.33Å; I279-V310 HydrophobicContact CD1-CG1 3.85Å; I279-V310 HydrophobicContact CG1-CG1 3.8Å; I279-V310 HydrophobicContact CG2-CG1 3.63Å; I279-F347 HydrophobicContact CD1-CD1 3.61Å; I279-F347 HydrophobicContact CD1-CE1 3.56Å; I279-F347 HydrophobicContact CD1-CG 4.42Å; I279-F347 HydrophobicContact CD1-CZ 4.34Å |
| 280 | D | 65.8 | Low | 64 | Low | 24 Ų | 24 | 50.1 Ų | 50.1 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | trans | -80.1 | 102.2 | 169.6 | 179.2 | 4 | 0 | 0 | 0 | 109.4 | I248 D282 P311 | I248-D280 HydrophobicContact CD1-CB 4.18Å; D280-D282 VanDerWaalsContact C-N 3.3Å; D280-D282 WeakPolarHBondContact OD1-CB 3.37Å; D280-D282 PolarHBondContact OD1-N 2.68Å; D280-P311 HydrophobicContact CB-CB 4.3Å; D280-P311 PolarHBondContact N-O 3.37Å | ||
| 281 | T | 55.3 | Low | 61.6 | Low | 62 Ų | 62 | 57 Ų | 57 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | trans | -76.5 | -15.8 | -179 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | I279 W291 | I279-T281 PolarHBondContact O-N 2.84Å; T281-W291 HydrophobicContact CG2-CH2 3.59Å; T281-W291 HydrophobicContact CG2-CZ2 4.45Å; T281-W291 HydrophobicContact CG2-CZ3 4.22Å | ||
| 282 | D | 53.7 | Low | 59 | Low | 37 Ų | 37 | 64.2 Ų | 64.2 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -80.7 | -24.8 | -168.1 | -120.7 | 16.2 | 0 | 0 | 0 | 112.6 | I248 N249 D280 F284 G285 | I248-D282 HydrophobicContact CG2-CB 4.36Å; N249-D282 PolarHBondContact ND2-OD2 2.64Å; D280-D282 VanDerWaalsContact C-N 3.3Å; D280-D282 WeakPolarHBondContact OD1-CB 3.37Å; D280-D282 PolarHBondContact OD1-N 2.68Å; D282-F284 PolarHBondContact O-N 3.29Å; D282-G285 PolarHBondContact O-N 3.19Å; D282-G285 VanDerWaalsContact O-N 3.08Å |
| 283 | Q | 48.6 | Very low | 56.5 | Low | 146 Ų | 146 | 68.8 Ų | 68.8 | 68% | 0.682 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -60.1 | -13 | 176.3 | -79.5 | -158.1 | 5.2 | 0 | 0 | 114.2 | P311 | Q283-P311 HydrophobicContact CB-CG 4.2Å; Q283-P311 HydrophobicContact CG-CB 4.45Å |
| 284 | F | 48.5 | Very low | 54.1 | Low | 59 Ų | 59 | 69.6 Ų | 69.6 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -94.6 | 5.7 | 178.8 | -63.8 | -79.4 | 0 | 0 | 0 | 114.8 | D282 L294 V298 L301 P311 | D282-F284 PolarHBondContact O-N 3.29Å; F284-L294 HydrophobicContact CB-CD1 2.98Å; F284-L294 HydrophobicContact CB-CG 4.42Å; F284-L294 HydrophobicContact CD1-CD1 3.94Å; F284-L294 HydrophobicContact CD2-CD1 3.56Å; F284-L294 HydrophobicContact CD2-CG 4.43Å; F284-L294 HydrophobicContact CG-CD1 3.21Å; F284-L294 HydrophobicContact CG-CG 4.34Å; F284-V298 HydrophobicContact CD1-CG2 3.98Å; F284-V298 HydrophobicContact CE1-CG2 3.29Å; F284-V298 HydrophobicContact CE2-CG2 4.23Å; F284-V298 HydrophobicContact CZ-CG2 3.44Å; F284-V298 VanDerWaalsContact CZ-CG2 3.44Å; F284-L301 HydrophobicContact CE1-CD1 4.34Å; F284-P311 HydrophobicContact CE2-CG 3.83Å; F284-P311 HydrophobicContact CZ-CG 4.2Å |
| 285 | G | 37.6 | Very low | 51.9 | Low | 46 Ų | 46 | 70.5 Ų | 70.5 | 47% | 0.474 | 36% | 0.362 | S | S | . | . | trans | 93.5 | 129.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D282 S287 | D282-G285 PolarHBondContact O-N 3.19Å; D282-G285 VanDerWaalsContact O-N 3.08Å; G285-S287 PolarHBondContact O-N 3.17Å | ||
| 286 | K | 35.9 | Very low | 50.1 | Low | 174 Ų | 174 | 77.3 Ų | 77.3 | 76% | 0.757 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 34.1 | -168.1 | -67.6 | -174.3 | 169.8 | -177.3 | 0 | 117.4 | ||
| 287 | S | 35.2 | Very low | 48.5 | Very low | 107 Ų | 107 | 79.9 Ų | 79.9 | 75% | 0.748 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.1 | -3.3 | -168.8 | -172.9 | 0 | 0 | 0 | 0 | 118.3 | G285 | G285-S287 PolarHBondContact O-N 3.17Š|
| 288 | T | 36.5 | Very low | 46.8 | Very low | 54 Ų | 54 | 79.9 Ų | 79.9 | 33% | 0.331 | 40% | 0.4 | S | S | . | . | trans | -106.7 | 96.3 | -177.5 | 58.9 | 0 | 0 | 0 | 0 | 110.3 | R290 E293 | T288-R290 PolarHBondContact O-N 2.62Å; T288-E293 HydrophobicContact CG2-CB 4.03Å; T288-E293 WeakPolarHBondContact CG2-OE2 3.24Å | ||
| 289 | S | 36.8 | Very low | 45.1 | Very low | 91 Ų | 91 | 82.2 Ų | 82.2 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -64 | 21.3 | 165 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | Y407 | S289-Y407 VanDerWaalsContact O-CE2 3.3Å; S289-Y407 WeakPolarHBondContact O-CE2 3.08Å |
| 290 | R | 36.9 | Very low | 44 | Very low | 160 Ų | 160 | 88.5 Ų | 88.5 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | trans | -134.6 | 106.7 | 178 | -85.3 | -176.6 | 171.4 | 165.3 | -4 | 109.4 | T288 E292 E293 | T288-R290 PolarHBondContact O-N 2.62Å; R290-E292 PolarHBondContact O-N 2.68Å; R290-E293 PolarHBondContact O-N 2.81Å | ||
| 291 | W | 38.4 | Very low | 43 | Very low | 152 Ų | 152 | 91.4 Ų | 91.4 | 58% | 0.576 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -50.9 | -25 | 167.6 | -80 | 102 | 0 | 0 | 0 | 113.3 | T281 E293 L294 A295 Y407 | T281-W291 HydrophobicContact CG2-CH2 3.59Å; T281-W291 HydrophobicContact CG2-CZ2 4.45Å; T281-W291 HydrophobicContact CG2-CZ3 4.22Å; W291-E293 PolarHBondContact O-N 3.39Å; W291-L294 HydrophobicContact CE3-CD2 3.61Å; W291-L294 HydrophobicContact CH2-CD2 4.47Å; W291-L294 HydrophobicContact CZ3-CD2 3.47Å; W291-L294 VanDerWaalsContact CZ3-CD2 3.47Å; W291-A295 WeakPolarHBondContact O-CB 3.48Å; W291-A295 PolarHBondContact O-N 2.8Å; W291-A295 VanDerWaalsContact O-N 3.13Å; W291-Y407 VanDerWaalsContact CD1-OH 3.24Å; W291-Y407 PolarHBondContact NE1-OH 3.3Å |
| 292 | E | 37.8 | Very low | 42.5 | Very low | 150 Ų | 150 | 91.6 Ų | 91.6 | 70% | 0.701 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.7 | -35.4 | 174.7 | -63.6 | 174.9 | 151.6 | 0 | 0 | 113.4 | R290 Y296 | R290-E292 PolarHBondContact O-N 2.68Å; E292-Y296 PolarHBondContact O-N 2.8Å; E292-Y296 VanDerWaalsContact O-N 3.13Å |
| 293 | E | 41.4 | Very low | 42.2 | Very low | 97 Ų | 97 | 98 Ų | 98 | 45% | 0.453 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -79.1 | -31.3 | 179.5 | -92.7 | -174.1 | 146 | 0 | 0 | 113 | T288 R290 W291 Y296 H297 | T288-E293 HydrophobicContact CG2-CB 4.03Å; T288-E293 WeakPolarHBondContact CG2-OE2 3.24Å; R290-E293 PolarHBondContact O-N 2.81Å; W291-E293 PolarHBondContact O-N 3.39Å; E293-Y296 PolarHBondContact O-N 3.2Å; E293-H297 PolarHBondContact O-N 3.37Å; E293-H297 PolarHBondContact O-ND1 3.17Å; E293-H297 VanDerWaalsContact O-ND1 3.09Å |
| 294 | L | 41 | Very low | 42.3 | Very low | 16 Ų | 16 | 99.5 Ų | 99.5 | 8% | 0.084 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.5 | -52.1 | 171.6 | -172 | 73.2 | 0 | 0 | 0 | 110.4 | F284 W291 Y296 H297 V298 | F284-L294 HydrophobicContact CB-CD1 2.98Å; F284-L294 HydrophobicContact CB-CG 4.42Å; F284-L294 HydrophobicContact CD1-CD1 3.94Å; F284-L294 HydrophobicContact CD2-CD1 3.56Å; F284-L294 HydrophobicContact CD2-CG 4.43Å; F284-L294 HydrophobicContact CG-CD1 3.21Å; F284-L294 HydrophobicContact CG-CG 4.34Å; W291-L294 HydrophobicContact CE3-CD2 3.61Å; W291-L294 HydrophobicContact CH2-CD2 4.47Å; W291-L294 HydrophobicContact CZ3-CD2 3.47Å; W291-L294 VanDerWaalsContact CZ3-CD2 3.47Å; L294-Y296 PolarHBondContact O-N 2.77Å; L294-H297 PolarHBondContact O-N 3.33Å; L294-V298 WeakPolarHBondContact O-CG2 3.4Å; L294-V298 PolarHBondContact O-N 3.36Å |
| 295 | A | 42.2 | Very low | 42 | Very low | 19 Ų | 19 | 100.7 Ų | 100.7 | 16% | 0.157 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -57.9 | -35.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | W291 N299 F350 | W291-A295 WeakPolarHBondContact O-CB 3.48Å; W291-A295 PolarHBondContact O-N 2.8Å; W291-A295 VanDerWaalsContact O-N 3.13Å; A295-N299 WeakPolarHBondContact O-CB 3.46Å; A295-N299 PolarHBondContact O-N 2.93Å; A295-N299 VanDerWaalsContact O-N 3.08Å; A295-F350 HydrophobicContact CB-CE2 4.43Å |
| 296 | Y | 45.8 | Very low | 42.2 | Very low | 144 Ų | 144 | 103.9 Ų | 103.9 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.8 | -42.8 | 174 | -174.9 | -99.8 | 0 | 0 | 0 | 113.1 | E292 E293 L294 N299 R300 | E292-Y296 PolarHBondContact O-N 2.8Å; E292-Y296 VanDerWaalsContact O-N 3.13Å; E293-Y296 PolarHBondContact O-N 3.2Å; L294-Y296 PolarHBondContact O-N 2.77Å; Y296-N299 PolarHBondContact O-N 2.77Å; Y296-R300 PolarHBondContact O-N 2.98Å |
| 297 | H | 46.9 | Very low | 42.5 | Very low | 103 Ų | 103 | 104.4 Ų | 104.4 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 178.2 | -86.4 | 88.5 | 0 | 0 | 0 | 112.7 | E293 L294 N299 R300 L301 | E293-H297 PolarHBondContact O-N 3.37Å; E293-H297 PolarHBondContact O-ND1 3.17Å; E293-H297 VanDerWaalsContact O-ND1 3.09Å; L294-H297 PolarHBondContact O-N 3.33Å; H297-N299 VanDerWaalsContact C-N 3.33Å; H297-N299 PolarHBondContact O-N 3.28Å; H297-R300 WeakPolarHBondContact O-CB 3.17Å; H297-R300 PolarHBondContact O-N 2.79Å; H297-L301 PolarHBondContact O-N 3.25Å |
| 298 | V | 46.1 | Very low | 42.8 | Very low | 10 Ų | 10 | 102.3 Ų | 102.3 | 6% | 0.061 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 176.2 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | F284 L294 R300 L301 I302 E349 | F284-V298 HydrophobicContact CD1-CG2 3.98Å; F284-V298 HydrophobicContact CE1-CG2 3.29Å; F284-V298 HydrophobicContact CE2-CG2 4.23Å; F284-V298 HydrophobicContact CZ-CG2 3.44Å; F284-V298 VanDerWaalsContact CZ-CG2 3.44Å; L294-V298 WeakPolarHBondContact O-CG2 3.4Å; L294-V298 PolarHBondContact O-N 3.36Å; V298-R300 VanDerWaalsContact C-N 3.28Å; V298-R300 PolarHBondContact O-N 3.14Å; V298-L301 CarbonylContact O-C 3.47Å; V298-L301 WeakPolarHBondContact O-CA 3.49Å; V298-L301 WeakPolarHBondContact O-CB 3.3Å; V298-L301 PolarHBondContact O-N 3.21Å; V298-I302 HydrophobicContact CG1-CD1 3.54Å; V298-I302 HydrophobicContact CG1-CG1 4Å; V298-I302 WeakPolarHBondContact O-CG1 3.24Å; V298-I302 PolarHBondContact O-N 3.18Å; V298-E349 WeakPolarHBondContact CB-OE2 3.4Å; V298-E349 WeakPolarHBondContact CG1-OE2 3.33Å; V298-E349 WeakPolarHBondContact CG2-OE2 3.31Å |
| 299 | N | 45.7 | Very low | 43.3 | Very low | 48 Ų | 48 | 103.8 Ų | 103.8 | 26% | 0.257 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -36.8 | 177 | -159.7 | -1.3 | 0 | 0 | 0 | 112.3 | A295 Y296 H297 L301 K303 F350 | A295-N299 WeakPolarHBondContact O-CB 3.46Å; A295-N299 PolarHBondContact O-N 2.93Å; A295-N299 VanDerWaalsContact O-N 3.08Å; Y296-N299 PolarHBondContact O-N 2.77Å; H297-N299 VanDerWaalsContact C-N 3.33Å; H297-N299 PolarHBondContact O-N 3.28Å; N299-L301 VanDerWaalsContact C-N 3.32Å; N299-K303 WeakPolarHBondContact O-CB 3.43Å; N299-K303 PolarHBondContact O-N 3.07Å; N299-F350 HydrophobicContact CB-CE2 3.98Å; N299-F350 WeakPolarHBondContact ND2-CE2 3.17Å; N299-F350 WeakPolarHBondContact ND2-CZ 3.32Å |
| 300 | R | 48.6 | Very low | 44.3 | Very low | 159 Ų | 159 | 101.7 Ų | 101.7 | 60% | 0.6 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.5 | -31.8 | 175.4 | -145.6 | -179.8 | -163.7 | -176.8 | 5.5 | 112.2 | Y296 H297 V298 K304 | Y296-R300 PolarHBondContact O-N 2.98Å; H297-R300 WeakPolarHBondContact O-CB 3.17Å; H297-R300 PolarHBondContact O-N 2.79Å; V298-R300 VanDerWaalsContact C-N 3.28Å; V298-R300 PolarHBondContact O-N 3.14Å; R300-K304 WeakPolarHBondContact O-CB 3.42Å; R300-K304 WeakPolarHBondContact O-CG 3.46Å; R300-K304 PolarHBondContact O-N 3Å |
| 301 | L | 45.2 | Very low | 45.5 | Very low | 85 Ų | 85 | 95.2 Ų | 95.2 | 45% | 0.445 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -76 | -47.9 | 175.5 | -72.5 | 167 | 0 | 0 | 0 | 111.8 | F284 H297 V298 N299 K304 N305 | F284-L301 HydrophobicContact CE1-CD1 4.34Å; H297-L301 PolarHBondContact O-N 3.25Å; V298-L301 CarbonylContact O-C 3.47Å; V298-L301 WeakPolarHBondContact O-CA 3.49Å; V298-L301 WeakPolarHBondContact O-CB 3.3Å; V298-L301 PolarHBondContact O-N 3.21Å; N299-L301 VanDerWaalsContact C-N 3.32Å; L301-K304 CarbonylContact O-C 3.58Å; L301-K304 PolarHBondContact O-N 2.76Å; L301-K304 VanDerWaalsContact O-N 3.13Å; L301-N305 PolarHBondContact O-N 2.66Å |
| 302 | I | 43.8 | Very low | 46.9 | Very low | 66 Ų | 66 | 90.5 Ų | 90.5 | 34% | 0.338 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | -179.8 | -64.9 | 176.8 | 0 | 0 | 0 | 111.3 | V298 K304 N305 | V298-I302 HydrophobicContact CG1-CD1 3.54Å; V298-I302 HydrophobicContact CG1-CG1 4Å; V298-I302 WeakPolarHBondContact O-CG1 3.24Å; V298-I302 PolarHBondContact O-N 3.18Å; I302-K304 PolarHBondContact O-N 2.92Å; I302-N305 CarbonylContact O-C 3.59Å; I302-N305 PolarHBondContact O-N 3.4Å |
| 303 | K | 48.2 | Very low | 48.7 | Very low | 173 Ų | 173 | 83.6 Ų | 83.6 | 75% | 0.752 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.8 | -30.9 | 173.9 | -83.1 | -174.1 | 176.7 | 178.6 | 0 | 112.9 | N299 | N299-K303 WeakPolarHBondContact O-CB 3.43Å; N299-K303 PolarHBondContact O-N 3.07Å |
| 304 | K | 49.2 | Very low | 50.4 | Low | 177 Ų | 177 | 83.8 Ų | 83.8 | 77% | 0.77 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -81 | -31.4 | 176.2 | -84.4 | -174 | 171.4 | -174.2 | 0 | 112.6 | R300 L301 I302 | R300-K304 WeakPolarHBondContact O-CB 3.42Å; R300-K304 WeakPolarHBondContact O-CG 3.46Å; R300-K304 PolarHBondContact O-N 3Å; L301-K304 CarbonylContact O-C 3.58Å; L301-K304 PolarHBondContact O-N 2.76Å; L301-K304 VanDerWaalsContact O-N 3.13Å; I302-K304 PolarHBondContact O-N 2.92Å |
| 305 | N | 42.2 | Very low | 52.2 | Low | 84 Ų | 84 | 84.3 Ų | 84.3 | 45% | 0.449 | 43% | 0.427 | S | S | . | . | trans | -151.6 | 103.2 | 177.2 | -166.1 | -4 | 0 | 0 | 0 | 110.6 | L301 I302 K307 V308 | L301-N305 PolarHBondContact O-N 2.66Å; I302-N305 CarbonylContact O-C 3.59Å; I302-N305 PolarHBondContact O-N 3.4Å; N305-K307 PolarHBondContact O-N 2.86Å; N305-K307 PolarHBondContact OD1-N 3.41Å; N305-V308 HydrophobicContact CB-CG2 4Å; N305-V308 WeakPolarHBondContact O-CG2 3.37Å; N305-V308 PolarHBondContact O-N 2.63Å | ||
| 306 | P | 42.6 | Very low | 54 | Low | 113 Ų | 113 | 90.6 Ų | 90.6 | 73% | 0.734 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -7.5 | -179.5 | -23 | 31.8 | 0 | 0 | 0 | 115 | ||
| 307 | K | 41.4 | Very low | 55.8 | Low | 185 Ų | 185 | 86.3 Ų | 86.3 | 80% | 0.804 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 4.5 | -179.7 | -62.7 | -174.8 | 177.9 | -177.8 | 0 | 114.2 | N305 A309 | N305-K307 PolarHBondContact O-N 2.86Å; N305-K307 PolarHBondContact OD1-N 3.41Å; K307-A309 PolarHBondContact O-N 3.18Å; K307-A309 VanDerWaalsContact O-N 3.08Å |
| 308 | V | 43.2 | Very low | 57.7 | Low | 63 Ų | 63 | 81.4 Ų | 81.4 | 38% | 0.382 | 42% | 0.417 | S | S | . | . | trans | -70.1 | 106.3 | 178.3 | 178 | 0 | 0 | 0 | 0 | 108.7 | N305 | N305-V308 HydrophobicContact CB-CG2 4Å; N305-V308 WeakPolarHBondContact O-CG2 3.37Å; N305-V308 PolarHBondContact O-N 2.63Å | ||
| 309 | A | 46.1 | Very low | 59.7 | Low | 85 Ų | 85 | 82.8 Ų | 82.8 | 70% | 0.702 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 137.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | K307 | K307-A309 PolarHBondContact O-N 3.18Å; K307-A309 VanDerWaalsContact O-N 3.08Å |
| 310 | V | 57.4 | Low | 61.9 | Low | 47 Ų | 47 | 80.5 Ų | 80.5 | 29% | 0.285 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 127.7 | 169.6 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | I279 L312 | I279-V310 HydrophobicContact CB-CG1 4.33Å; I279-V310 HydrophobicContact CD1-CG1 3.85Å; I279-V310 HydrophobicContact CG1-CG1 3.8Å; I279-V310 HydrophobicContact CG2-CG1 3.63Å; V310-L312 PolarHBondContact O-N 2.55Å |
| 311 | P | 61.9 | Low | 64 | Low | 23 Ų | 23 | 75.2 Ų | 75.2 | 15% | 0.149 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 126.3 | 179.3 | 24.7 | -31.3 | 0 | 0 | 0 | 109.5 | D280 Q283 F284 | D280-P311 HydrophobicContact CB-CB 4.3Å; D280-P311 PolarHBondContact N-O 3.37Å; Q283-P311 HydrophobicContact CB-CG 4.2Å; Q283-P311 HydrophobicContact CG-CB 4.45Å; F284-P311 HydrophobicContact CE2-CG 3.83Å; F284-P311 HydrophobicContact CZ-CG 4.2Å |
| 312 | L | 69 | Low | 66.2 | Low | 54 Ų | 54 | 71.1 Ų | 71.1 | 28% | 0.283 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -96.4 | 152.5 | 175.6 | -62.9 | 168.1 | 0 | 0 | 0 | 109.1 | V278 V310 I342 P344 | V278-L312 HydrophobicContact CG2-CD2 4.28Å; V278-L312 CarbonylContact O-C 3.15Å; V278-L312 VanDerWaalsContact O-CA 3.3Å; V278-L312 WeakPolarHBondContact O-CA 3.46Å; V310-L312 PolarHBondContact O-N 2.55Å; L312-I342 HydrophobicContact CD1-CG2 4.28Å; L312-I342 HydrophobicContact CD2-CG2 4.4Å; L312-P344 HydrophobicContact CD1-CG 3.73Å; L312-P344 HydrophobicContact CD2-CB 4.11Å; L312-P344 HydrophobicContact CD2-CG 3.99Å; L312-P344 HydrophobicContact CG-CG 4.39Å |
| 313 | A | 74.9 | Confident | 68.3 | Low | 4 Ų | 4 | 68.2 Ų | 68.2 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 148.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I246 I248 V278 V318 I342 | I246-A313 HydrophobicContact CG2-CB 3.96Å; I248-A313 HydrophobicContact CD1-CB 4.11Å; V278-A313 PolarHBondContact O-N 3.2Å; A313-V318 HydrophobicContact CB-CG2 4Å; A313-I342 WeakPolarHBondContact O-CD1 3.44Å |
| 314 | N | 76.1 | Confident | 70.2 | Confident | 101 Ų | 101 | 61 Ų | 61 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 142.6 | 171.8 | -56.3 | -61.5 | 0 | 0 | 0 | 109 | E316 D317 | N314-E316 PolarHBondContact O-N 2.87Å; N314-E316 VanDerWaalsContact O-N 3.08Å; N314-D317 WeakPolarHBondContact CB-OD2 3.25Å; N314-D317 PolarHBondContact ND2-OD2 2.9Å; N314-D317 WeakPolarHBondContact O-CB 3.32Å; N314-D317 PolarHBondContact O-N 3.31Å |
| 315 | P | 79.5 | Confident | 71.8 | Confident | 28 Ų | 28 | 53 Ų | 53 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -53.8 | -31.1 | 176.9 | -26.7 | 33.8 | 0 | 0 | 0 | 114.1 | D317 V318 V339 I342 | P315-D317 VanDerWaalsContact C-N 3.28Å; P315-D317 PolarHBondContact O-N 2.91Å; P315-V318 PolarHBondContact O-N 3.01Å; P315-V339 HydrophobicContact CB-CB 4.39Å; P315-V339 HydrophobicContact CB-CG1 4.23Å; P315-V339 VanDerWaalsContact CB-O 3.29Å; P315-V339 WeakPolarHBondContact CB-O 3.47Å; P315-I342 HydrophobicContact CG-CG1 4.37Å |
| 316 | E | 79.5 | Confident | 73.7 | Confident | 150 Ų | 150 | 52.8 Ų | 52.8 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -69.8 | -23.7 | 178.3 | -59.2 | -177.3 | -177.2 | 0 | 0 | 113.2 | N314 V318 Y509 | N314-E316 PolarHBondContact O-N 2.87Å; N314-E316 VanDerWaalsContact O-N 3.08Å; E316-V318 VanDerWaalsContact C-N 3.26Å; E316-Y509 PolarHBondContact OE1-OH 2.88Å |
| 317 | D | 84.9 | Confident | 75.4 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -83.9 | -4 | 176.6 | -62.3 | -37.6 | 0 | 0 | 0 | 112.1 | I246 T247 N314 P315 | I246-D317 WeakPolarHBondContact CA-O 3.3Å; T247-D317 PolarHBondContact N-O 3.09Å; T247-D317 WeakPolarHBondContact O-CB 3.08Å; N314-D317 WeakPolarHBondContact CB-OD2 3.25Å; N314-D317 PolarHBondContact ND2-OD2 2.9Å; N314-D317 WeakPolarHBondContact O-CB 3.32Å; N314-D317 PolarHBondContact O-N 3.31Å; P315-D317 VanDerWaalsContact C-N 3.28Å; P315-D317 PolarHBondContact O-N 2.91Å |
| 318 | V | 86.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.1 | -175.1 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | I244 Y245 I246 A313 P315 E316 V339 I342 L359 | I244-V318 HydrophobicContact CG2-CG1 3.6Å; Y245-V318 WeakPolarHBondContact O-CA 3.29Å; I246-V318 HydrophobicContact CG1-CG1 4.22Å; I246-V318 HydrophobicContact CG1-CG2 4.14Å; I246-V318 HydrophobicContact CG2-CG2 4.41Å; A313-V318 HydrophobicContact CB-CG2 4Å; P315-V318 PolarHBondContact O-N 3.01Å; E316-V318 VanDerWaalsContact C-N 3.26Å; V318-V339 HydrophobicContact CB-CB 4.27Å; V318-V339 HydrophobicContact CB-CG2 4Å; V318-V339 HydrophobicContact CG1-CB 4.46Å; V318-V339 HydrophobicContact CG1-CG2 3.69Å; V318-I342 HydrophobicContact CG2-CD1 3.77Å; V318-L359 HydrophobicContact CG1-CD1 4.36Å |
| 319 | D | 86.7 | Confident | 77.3 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 21% | 0.214 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.2 | 176.6 | -81.1 | -39 | 0 | 0 | 0 | 111.4 | I244 Y245 Y321 K336 | I244-D319 WeakPolarHBondContact CA-O 3.39Å; Y245-D319 PolarHBondContact N-O 3.09Å; Y245-D319 PolarHBondContact O-N 3.18Å; D319-Y321 HydrophobicContact CB-CE2 3.82Å; D319-K336 WeakPolarHBondContact OD1-CE 3.37Å; D319-K336 IonicContact OD1-NZ 3.96Å; D319-K336 PolarHBondContact OD1-NZ 2.98Å; D319-K336 WeakPolarHBondContact OD2-CE 3.04Å; D319-K336 IonicContact OD2-NZ 2.8Å; D319-K336 PolarHBondContact OD2-NZ 2.9Å |
| 320 | V | 93.5 | Very high | 77.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.6 | 179.7 | -167.5 | 0 | 0 | 0 | 0 | 111.2 | A242 L243 I244 V271 F322 K336 R337 V339 L359 L361 | A242-V320 HydrophobicContact CB-CG1 3.96Å; L243-V320 WeakPolarHBondContact O-CA 3.08Å; I244-V320 HydrophobicContact CG1-CG1 4.23Å; I244-V320 HydrophobicContact CG1-CG2 4.3Å; V271-V320 HydrophobicContact CG2-CG1 4.31Å; V320-F322 HydrophobicContact CB-CE2 4.34Å; V320-F322 HydrophobicContact CB-CZ 4.34Å; V320-F322 HydrophobicContact CG1-CE1 4.04Å; V320-F322 HydrophobicContact CG1-CE2 3.82Å; V320-F322 HydrophobicContact CG1-CZ 3.45Å; V320-F322 VanDerWaalsContact CG1-CZ 3.45Å; V320-K336 CarbonylContact O-C 3.56Å; V320-K336 WeakPolarHBondContact O-CA 3.49Å; V320-R337 PolarHBondContact N-O 3.08Å; V320-R337 VanDerWaalsContact N-O 3.08Å; V320-R337 PolarHBondContact O-N 3.36Å; V320-V339 HydrophobicContact CG2-CG2 3.55Å; V320-L359 HydrophobicContact CG2-CD1 4.1Å; V320-L361 HydrophobicContact CB-CD2 4.17Å; V320-L361 HydrophobicContact CG2-CD2 4.04Å |
| 321 | Y | 92.4 | Very high | 77.9 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 18% | 0.184 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138 | 179.1 | -63.9 | -97.9 | 0 | 0 | 0 | 111.3 | L243 Y245 D319 Q335 K336 | L243-Y321 PolarHBondContact N-O 3.43Å; L243-Y321 PolarHBondContact O-N 2.98Å; Y245-Y321 AromaticContact CD2-CD2 3.84Å; Y245-Y321 HydrophobicContact CD2-CD2 3.84Å; Y245-Y321 AromaticContact CD2-CE2 3.72Å; Y245-Y321 HydrophobicContact CD2-CE2 3.72Å; Y245-Y321 HydrophobicContact CE2-CD2 4.34Å; Y245-Y321 HydrophobicContact CE2-CE2 4.35Å; D319-Y321 HydrophobicContact CB-CE2 3.82Å; Y321-Q335 WeakPolarHBondContact CA-O 3.32Å; Y321-K336 HydrophobicContact CD1-CB 3.98Å; Y321-K336 HydrophobicContact CD1-CG 4.21Å; Y321-K336 HydrophobicContact CE1-CB 3.81Å; Y321-K336 HydrophobicContact CE1-CD 3.88Å; Y321-K336 HydrophobicContact CE1-CG 3.79Å; Y321-K336 HydrophobicContact CE2-CG 4.44Å |
| 322 | F | 91.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 156 | 176.7 | -53.5 | -83.5 | 0 | 0 | 0 | 111 | A242 L259 V271 V320 V324 R334 Q335 R337 L361 V365 I371 | A242-F322 HydrophobicContact CB-CD1 3.99Å; A242-F322 HydrophobicContact CB-CE1 3.63Å; A242-F322 HydrophobicContact CB-CZ 4.45Å; L259-F322 HydrophobicContact CB-CD1 4.12Å; L259-F322 HydrophobicContact CB-CE1 3.84Å; L259-F322 HydrophobicContact CD1-CE1 3.86Å; L259-F322 HydrophobicContact CD1-CZ 4.17Å; L259-F322 HydrophobicContact CD2-CD1 4.06Å; L259-F322 HydrophobicContact CD2-CE1 4.22Å; L259-F322 HydrophobicContact CG-CD1 4.48Å; L259-F322 HydrophobicContact CG-CE1 4.19Å; V271-F322 HydrophobicContact CG2-CE1 3.76Å; V271-F322 HydrophobicContact CG2-CZ 3.53Å; V320-F322 HydrophobicContact CB-CE2 4.34Å; V320-F322 HydrophobicContact CB-CZ 4.34Å; V320-F322 HydrophobicContact CG1-CE1 4.04Å; V320-F322 HydrophobicContact CG1-CE2 3.82Å; V320-F322 HydrophobicContact CG1-CZ 3.45Å; V320-F322 VanDerWaalsContact CG1-CZ 3.45Å; F322-V324 PolarHBondContact O-N 3.23Å; F322-R334 VanDerWaalsContact O-CA 3.22Å; F322-R334 WeakPolarHBondContact O-CA 3.21Å; F322-Q335 WeakPolarHBondContact CD2-O 3.37Å; F322-Q335 PolarHBondContact N-O 2.83Å; F322-Q335 PolarHBondContact O-N 3.27Å; F322-R337 HydrophobicContact CE2-CB 4.16Å; F322-R337 HydrophobicContact CE2-CG 4Å; F322-L361 HydrophobicContact CE2-CD1 3.76Å; F322-L361 HydrophobicContact CZ-CD1 3.58Å; F322-V365 HydrophobicContact CB-CG1 4.45Å; F322-V365 HydrophobicContact CD2-CG1 4.03Å; F322-V365 HydrophobicContact CD2-CG2 3.71Å; F322-V365 HydrophobicContact CE2-CG2 3.43Å; F322-V365 VanDerWaalsContact CE2-CG2 3.43Å; F322-V365 HydrophobicContact CG-CG1 4.18Å; F322-V365 HydrophobicContact CG-CG2 4.4Å; F322-V365 HydrophobicContact CZ-CG2 3.88Å; F322-I371 HydrophobicContact CB-CD1 3.85Å; F322-I371 HydrophobicContact CB-CG1 3.97Å; F322-I371 HydrophobicContact CB-CG2 3.89Å; F322-I371 HydrophobicContact CG-CG2 4.48Å |
| 323 | G | 87 | Confident | 78.5 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 76.9 | 10.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H236 T333 | H236-G323 PolarHBondContact CE1-O 3.15Å; H236-G323 VanDerWaalsContact CE1-O 3.23Å; H236-G323 PolarHBondContact ND1-O 3.1Å; G323-T333 PolarHBondContact O-OG1 3.02Å |
| 324 | V | 87.2 | Confident | 78.9 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 13% | 0.127 | 31% | 0.313 | C | S | . | . | trans | -80.5 | 124.1 | 179.4 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | L243 F322 L327 R334 W395 | L243-V324 HydrophobicContact CD2-CG1 4.37Å; F322-V324 PolarHBondContact O-N 3.23Å; V324-L327 HydrophobicContact CG1-CD2 4.4Å; V324-R334 HydrophobicContact CG2-CB 4.3Å; V324-W395 HydrophobicContact CB-CH2 4.42Å; V324-W395 HydrophobicContact CB-CZ2 4.09Å; V324-W395 HydrophobicContact CG1-CZ2 4.01Å; V324-W395 WeakPolarHBondContact O-CZ2 3.48Å | ||
| 325 | H | 83.6 | Confident | 79.5 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -112.3 | -49.5 | 168.2 | 175.7 | 54.1 | 0 | 0 | 0 | 110.6 | A233 P235 E416 L417 | A233-H325 PolarHBondContact O-CE1 3.1Å; P235-H325 VanDerWaalsContact CB-CD2 3.49Å; P235-H325 WeakPolarHBondContact CB-CD2 3.3Å; P235-H325 WeakPolarHBondContact CG-NE2 3.06Å; H325-E416 IonicContact NE2-OE2 2.93Å; H325-E416 CarbonylContact O-C 3.51Å; H325-E416 WeakPolarHBondContact O-CA 3.22Å; H325-L417 PolarHBondContact O-N 3.24Å |
| 326 | H | 82.2 | Confident | 79.9 | Confident | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.366 | 30% | 0.304 | S | S | . | . | B | Isolated β-bridge | trans | -99.6 | 132.9 | 169.7 | -77.4 | 57.1 | 0 | 0 | 0 | 110.8 | K328 G329 K415 E416 | H326-K328 PolarHBondContact O-N 2.81Å; H326-G329 PolarHBondContact O-N 3.22Å; H326-G329 VanDerWaalsContact O-N 3.16Å; H326-K415 CarbonylContact C-O 3.6Å; H326-K415 WeakPolarHBondContact CA-O 3.25Å; H326-E416 WeakPolarHBondContact CE1-CG 3.27Å; H326-E416 IonicContact CE1-OE1 2.63Å; H326-E416 IonicContact CE1-OE2 2.66Å; H326-E416 VanDerWaalsContact NE2-CD 3.31Å; H326-E416 WeakPolarHBondContact NE2-CG 3.29Å; H326-E416 IonicContact NE2-OE1 2.85Å; H326-E416 PolarHBondContact NE2-OE1 3.24Å; H326-E416 VanDerWaalsContact NE2-OE1 3.15Å |
| 327 | L | 77.6 | Confident | 80.4 | Confident | 47 Ų | 47 | 54.5 Ų | 54.5 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.2 | 174.9 | -66.6 | 177.2 | 0 | 0 | 0 | 113.1 | L243 V324 W395 P414 K415 | L243-L327 HydrophobicContact CD2-CD2 3.6Å; V324-L327 HydrophobicContact CG1-CD2 4.4Å; L327-W395 HydrophobicContact CD1-CG 4.44Å; L327-W395 HydrophobicContact CD2-CD2 4.44Å; L327-W395 HydrophobicContact CD2-CG 4.2Å; L327-W395 HydrophobicContact CG-CG 4.43Å; L327-P414 WeakPolarHBondContact CD1-O 3.25Å; L327-K415 PolarHBondContact N-O 3.42Å |
| 328 | K | 68.5 | Low | 80.5 | Confident | 197 Ų | 197 | 54 Ų | 54 | 86% | 0.857 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 21.9 | 175.4 | -74.8 | -169.5 | 173.6 | -173 | 0 | 113.8 | H326 | H326-K328 PolarHBondContact O-N 2.81Š|
| 329 | G | 56.5 | Low | 80.4 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | trans | -84.9 | 171.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | H326 | H326-G329 PolarHBondContact O-N 3.22Å; H326-G329 VanDerWaalsContact O-N 3.16Å | ||
| 330 | P | 59 | Low | 79.8 | Confident | 95 Ų | 95 | 53.8 Ų | 53.8 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | trans | -58.9 | 139 | -179.1 | 21.9 | -31.4 | 0 | 0 | 0 | 113.3 | D332 | P330-D332 PolarHBondContact O-N 2.6Š| ||
| 331 | E | 57 | Low | 79 | Confident | 122 Ų | 122 | 55.3 Ų | 55.3 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -53.8 | -30.9 | 178.1 | -80.7 | -100.9 | -175.5 | 0 | 0 | 113.2 | T333 R334 | E331-T333 PolarHBondContact O-N 3.19Å; E331-R334 WeakPolarHBondContact O-CG 3.09Å; E331-R334 PolarHBondContact O-N 3.28Å; E331-R334 IonicContact OE1-CZ 2.7Å; E331-R334 IonicContact OE1-NE 3.71Å; E331-R334 IonicContact OE1-NH2 3.98Å; E331-R334 PolarHBondContact OE1-NH2 2.98Å; E331-R334 IonicContact OE2-CZ 2.58Å; E331-R334 IonicContact OE2-NE 3.99Å; E331-R334 PolarHBondContact OE2-NE 2.85Å; E331-R334 IonicContact OE2-NH2 3.69Å; E331-R334 PolarHBondContact OE2-NH2 3.42Å |
| 332 | D | 66 | Low | 78.4 | Confident | 153 Ų | 153 | 54.1 Ų | 54.1 | 82% | 0.818 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -65.3 | -20.7 | -163.5 | -52.9 | -20.2 | 0 | 0 | 0 | 114.4 | P330 | P330-D332 PolarHBondContact O-N 2.6Š|
| 333 | T | 77 | Confident | 77.7 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 14% | 0.135 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -92.4 | -21.7 | 177.6 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | G323 E331 Y370 | G323-T333 PolarHBondContact O-OG1 3.02Å; E331-T333 PolarHBondContact O-N 3.19Å; T333-Y370 HydrophobicContact CG2-CD2 3.81Å; T333-Y370 HydrophobicContact CG2-CE1 4.39Å; T333-Y370 HydrophobicContact CG2-CE2 3.63Å; T333-Y370 HydrophobicContact CG2-CG 4.23Å |
| 334 | R | 83.7 | Confident | 77.1 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 34% | 0.336 | 29% | 0.294 | S | S | . | . | trans | -86.6 | 142.7 | -171.6 | 57.5 | 165.5 | 176.4 | -151.7 | -1.3 | 112.4 | F322 V324 E331 | F322-R334 VanDerWaalsContact O-CA 3.22Å; F322-R334 WeakPolarHBondContact O-CA 3.21Å; V324-R334 HydrophobicContact CG2-CB 4.3Å; E331-R334 WeakPolarHBondContact O-CG 3.09Å; E331-R334 PolarHBondContact O-N 3.28Å; E331-R334 IonicContact OE1-CZ 2.7Å; E331-R334 IonicContact OE1-NE 3.71Å; E331-R334 IonicContact OE1-NH2 3.98Å; E331-R334 PolarHBondContact OE1-NH2 2.98Å; E331-R334 IonicContact OE2-CZ 2.58Å; E331-R334 IonicContact OE2-NE 3.99Å; E331-R334 PolarHBondContact OE2-NE 2.85Å; E331-R334 IonicContact OE2-NH2 3.69Å; E331-R334 PolarHBondContact OE2-NH2 3.42Å | ||
| 335 | Q | 88.2 | Confident | 76.1 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.2 | 166.7 | -70.9 | -174.1 | 55.7 | 0 | 0 | 109.4 | Y321 F322 N366 I371 | Y321-Q335 WeakPolarHBondContact CA-O 3.32Å; F322-Q335 WeakPolarHBondContact CD2-O 3.37Å; F322-Q335 PolarHBondContact N-O 2.83Å; F322-Q335 PolarHBondContact O-N 3.27Å; Q335-N366 PolarHBondContact NE2-O 2.95Å; Q335-I371 HydrophobicContact CB-CD1 3.91Å; Q335-I371 HydrophobicContact CG-CD1 3.72Å |
| 336 | K | 89.8 | Confident | 75.2 | Confident | 91 Ų | 91 | 61.1 Ų | 61.1 | 40% | 0.396 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 139.6 | 169.4 | -173.1 | -178.8 | -179.5 | 173.2 | 0 | 110 | D319 V320 Y321 | D319-K336 WeakPolarHBondContact OD1-CE 3.37Å; D319-K336 IonicContact OD1-NZ 3.96Å; D319-K336 PolarHBondContact OD1-NZ 2.98Å; D319-K336 WeakPolarHBondContact OD2-CE 3.04Å; D319-K336 IonicContact OD2-NZ 2.8Å; D319-K336 PolarHBondContact OD2-NZ 2.9Å; V320-K336 CarbonylContact O-C 3.56Å; V320-K336 WeakPolarHBondContact O-CA 3.49Å; Y321-K336 HydrophobicContact CD1-CB 3.98Å; Y321-K336 HydrophobicContact CD1-CG 4.21Å; Y321-K336 HydrophobicContact CE1-CB 3.81Å; Y321-K336 HydrophobicContact CE1-CD 3.88Å; Y321-K336 HydrophobicContact CE1-CG 3.79Å; Y321-K336 HydrophobicContact CE2-CG 4.44Å |
| 337 | R | 89 | Confident | 73.8 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 5% | 0.053 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.4 | 167 | -67.4 | -63.3 | -178 | -84.3 | -1.5 | 109.8 | V320 F322 L361 D362 R363 K364 V365 | V320-R337 PolarHBondContact N-O 3.08Å; V320-R337 VanDerWaalsContact N-O 3.08Å; V320-R337 PolarHBondContact O-N 3.36Å; F322-R337 HydrophobicContact CE2-CB 4.16Å; F322-R337 HydrophobicContact CE2-CG 4Å; R337-L361 HydrophobicContact CB-CB 4.08Å; R337-L361 HydrophobicContact CB-CD1 3.96Å; R337-L361 HydrophobicContact CB-CD2 3.97Å; R337-L361 HydrophobicContact CB-CG 4.21Å; R337-L361 HydrophobicContact CG-CB 4.47Å; R337-L361 HydrophobicContact CG-CD1 4Å; R337-D362 WeakPolarHBondContact CD-OD1 3.34Å; R337-R363 WeakPolarHBondContact CD-O 3.05Å; R337-R363 PolarHBondContact NE-O 3.37Å; R337-K364 PolarHBondContact NE-O 2.71Å; R337-K364 PolarHBondContact NH2-O 3Å; R337-V365 HydrophobicContact CG-CG2 3.79Å |
| 338 | A | 86.7 | Confident | 72.8 | Confident | 45 Ų | 45 | 60.5 Ų | 60.5 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 148.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109 | L361 D362 | A338-L361 CarbonylContact O-C 3.47Å; A338-L361 WeakPolarHBondContact O-CA 3.38Å; A338-D362 HydrophobicContact CB-CB 4.36Å; A338-D362 PolarHBondContact N-OD1 2.86Å; A338-D362 PolarHBondContact O-N 3.42Å |
| 339 | V | 84.2 | Confident | 71.9 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 135.3 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | P315 V318 V320 H341 I342 L359 L361 | P315-V339 HydrophobicContact CB-CB 4.39Å; P315-V339 HydrophobicContact CB-CG1 4.23Å; P315-V339 VanDerWaalsContact CB-O 3.29Å; P315-V339 WeakPolarHBondContact CB-O 3.47Å; V318-V339 HydrophobicContact CB-CB 4.27Å; V318-V339 HydrophobicContact CB-CG2 4Å; V318-V339 HydrophobicContact CG1-CB 4.46Å; V318-V339 HydrophobicContact CG1-CG2 3.69Å; V320-V339 HydrophobicContact CG2-CG2 3.55Å; V339-H341 VanDerWaalsContact CG1-O 3.31Å; V339-H341 WeakPolarHBondContact CG1-O 3.5Å; V339-I342 HydrophobicContact CG1-CG1 3.87Å; V339-L359 HydrophobicContact CG1-CB 4.13Å; V339-L359 HydrophobicContact CG1-CD2 4.43Å; V339-L359 HydrophobicContact CG2-CB 4.21Å; V339-L359 HydrophobicContact CG2-CD1 4.28Å; V339-L361 HydrophobicContact CG2-CD2 4.42Å |
| 340 | T | 74.4 | Confident | 71.4 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -34.8 | 173.8 | 58.1 | 0 | 0 | 0 | 0 | 112 | K360 D362 Y509 | T340-K360 PolarHBondContact N-O 3.44Å; T340-K360 PolarHBondContact OG1-O 3.02Å; T340-D362 HydrophobicContact CG2-CB 3.93Å; T340-Y509 VanDerWaalsContact O-CD2 3.31Å; T340-Y509 WeakPolarHBondContact O-CD2 3.28Å; T340-Y509 VanDerWaalsContact O-CE2 3.32Å; T340-Y509 WeakPolarHBondContact O-CE2 2.99Å |
| 341 | H | 77.5 | Confident | 71.1 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 15% | 0.148 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 139.1 | 179.3 | -58.2 | 73.5 | 0 | 0 | 0 | 110 | V339 I343 K360 K507 Q667 | V339-H341 VanDerWaalsContact CG1-O 3.31Å; V339-H341 WeakPolarHBondContact CG1-O 3.5Å; H341-I343 HydrophobicContact CB-CG1 4.48Å; H341-K360 HydrophobicContact CB-CB 3.99Å; H341-K360 PolarHBondContact N-O 2.8Å; H341-K360 PolarHBondContact O-N 2.93Å; H341-K507 PolarHBondContact NE2-O 3.26Å; H341-Q667 PolarHBondContact CE1-NE2 3Å; H341-Q667 VanDerWaalsContact CE1-NE2 3.3Å; H341-Q667 PolarHBondContact NE2-NE2 3.04Å |
| 342 | I | 79.4 | Confident | 71.1 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.5 | 169.6 | -56.1 | -176.6 | 0 | 0 | 0 | 106.8 | V278 L312 A313 P315 V318 V339 P344 L359 | V278-I342 HydrophobicContact CB-CD1 4.21Å; V278-I342 HydrophobicContact CB-CG2 3.85Å; V278-I342 HydrophobicContact CG1-CD1 4.26Å; V278-I342 HydrophobicContact CG1-CG2 4.29Å; V278-I342 HydrophobicContact CG2-CG2 3.55Å; L312-I342 HydrophobicContact CD1-CG2 4.28Å; L312-I342 HydrophobicContact CD2-CG2 4.4Å; A313-I342 WeakPolarHBondContact O-CD1 3.44Å; P315-I342 HydrophobicContact CG-CG1 4.37Å; V318-I342 HydrophobicContact CG2-CD1 3.77Å; V339-I342 HydrophobicContact CG1-CG1 3.87Å; I342-P344 WeakPolarHBondContact O-CD 3.46Å; I342-L359 HydrophobicContact CB-CD2 4.28Å; I342-L359 HydrophobicContact CG1-CD2 3.93Å; I342-L359 HydrophobicContact CG2-CD2 3.94Å |
| 343 | I | 78 | Confident | 70.9 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 95 | -179.1 | -56.6 | 161.9 | 0 | 0 | 0 | 108.1 | H341 A357 I358 W499 A503 K507 | H341-I343 HydrophobicContact CB-CG1 4.48Å; I343-A357 CarbonylContact O-C 3.47Å; I343-A357 WeakPolarHBondContact O-CA 3.26Å; I343-I358 HydrophobicContact CB-CB 4.26Å; I343-I358 PolarHBondContact N-O 2.05Å; I343-I358 PolarHBondContact O-N 2.81Å; I343-W499 HydrophobicContact CG2-CZ2 3.96Å; I343-A503 HydrophobicContact CG2-CB 4Å; I343-K507 HydrophobicContact CG1-CD 4.43Å; I343-K507 VanDerWaalsContact CG2-NZ 3.25Å |
| 344 | P | 74 | Confident | 70.7 | Confident | 42 Ų | 42 | 50.8 Ų | 50.8 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 151.9 | 177.8 | 35.6 | -39.2 | 0 | 0 | 0 | 111 | L312 I342 W499 | L312-P344 HydrophobicContact CD1-CG 3.73Å; L312-P344 HydrophobicContact CD2-CB 4.11Å; L312-P344 HydrophobicContact CD2-CG 3.99Å; L312-P344 HydrophobicContact CG-CG 4.39Å; I342-P344 WeakPolarHBondContact O-CD 3.46Å; P344-W499 WeakPolarHBondContact O-CZ2 3.04Å |
| 345 | G | 66.9 | Low | 70.5 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | trans | -63.1 | 171.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F347 I356 | G345-F347 PolarHBondContact O-N 2.78Å; G345-I356 PolarHBondContact N-O 2.81Å | ||
| 346 | I | 64.4 | Low | 70.5 | Confident | 124 Ų | 124 | 45.1 Ų | 45.1 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | trans | -73.6 | 74.8 | 175.1 | -53.5 | 175.7 | 0 | 0 | 0 | 108.1 | H348 | I346-H348 PolarHBondContact O-CD2 2.57Å; I346-H348 VanDerWaalsContact O-CD2 3.28Å; I346-H348 PolarHBondContact O-N 2.98Å | ||
| 347 | F | 52.4 | Low | 70.4 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | trans | -67.4 | 122.6 | -175.9 | -179.5 | -106.9 | 0 | 0 | 0 | 110.1 | A275 H276 I279 G345 E349 K352 K353 D355 | A275-F347 HydrophobicContact CB-CB 4.02Å; A275-F347 HydrophobicContact CB-CD2 4.03Å; A275-F347 HydrophobicContact CB-CG 4.15Å; H276-F347 HydrophobicContact CB-CZ 4.33Å; I279-F347 HydrophobicContact CD1-CD1 3.61Å; I279-F347 HydrophobicContact CD1-CE1 3.56Å; I279-F347 HydrophobicContact CD1-CG 4.42Å; I279-F347 HydrophobicContact CD1-CZ 4.34Å; G345-F347 PolarHBondContact O-N 2.78Å; F347-E349 HydrophobicContact CE1-CB 4.2Å; F347-E349 HydrophobicContact CE1-CG 4.31Å; F347-K352 HydrophobicContact CE2-CB 4.22Å; F347-K352 HydrophobicContact CE2-CG 4.26Å; F347-K352 HydrophobicContact CZ-CG 4.23Å; F347-K353 WeakPolarHBondContact CA-O 3.42Å; F347-D355 HydrophobicContact CD2-CB 4.05Å; F347-D355 HydrophobicContact CE2-CB 3.93Å | ||
| 348 | H | 55.5 | Low | 70.3 | Confident | 86 Ų | 86 | 40.2 Ų | 40.2 | 40% | 0.398 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -108.9 | 113.6 | 173.2 | -72.4 | -77.3 | 0 | 0 | 0 | 109.2 | I346 F350 N351 K352 K353 | I346-H348 PolarHBondContact O-CD2 2.57Å; I346-H348 VanDerWaalsContact O-CD2 3.28Å; I346-H348 PolarHBondContact O-N 2.98Å; H348-F350 VanDerWaalsContact C-N 3.32Å; H348-F350 PolarHBondContact O-N 2.7Å; H348-N351 WeakPolarHBondContact CB-OD1 3.42Å; H348-N351 PolarHBondContact O-N 2.77Å; H348-N351 PolarHBondContact O-OD1 2.03Å; H348-N351 VanDerWaalsContact O-OD1 3.06Å; H348-K352 VanDerWaalsContact O-CA 3.29Å; H348-K352 WeakPolarHBondContact O-CA 3.42Å; H348-K352 PolarHBondContact O-N 3.26Å; H348-K353 HydrophobicContact CB-CB 4.37Å; H348-K353 PolarHBondContact N-O 2.88Å; H348-K353 PolarHBondContact O-N 3.02Å |
| 349 | E | 50.7 | Low | 70.4 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -37.5 | -169.9 | -160.9 | -179.9 | -166.8 | 0 | 0 | 113.5 | V298 F347 N351 | V298-E349 WeakPolarHBondContact CB-OE2 3.4Å; V298-E349 WeakPolarHBondContact CG1-OE2 3.33Å; V298-E349 WeakPolarHBondContact CG2-OE2 3.31Å; F347-E349 HydrophobicContact CE1-CB 4.2Å; F347-E349 HydrophobicContact CE1-CG 4.31Å; E349-N351 PolarHBondContact O-N 3.09Å |
| 350 | F | 45.5 | Very low | 70.4 | Confident | 153 Ų | 153 | 38.6 Ų | 38.6 | 67% | 0.671 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -33.5 | -175.5 | -107.4 | -90.4 | 0 | 0 | 0 | 114.8 | A295 N299 H348 | A295-F350 HydrophobicContact CB-CE2 4.43Å; N299-F350 HydrophobicContact CB-CE2 3.98Å; N299-F350 WeakPolarHBondContact ND2-CE2 3.17Å; N299-F350 WeakPolarHBondContact ND2-CZ 3.32Å; H348-F350 VanDerWaalsContact C-N 3.32Å; H348-F350 PolarHBondContact O-N 2.7Å |
| 351 | N | 52.3 | Low | 70.9 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 31% | 0.31 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 2.6 | -179.2 | 58.5 | -4.1 | 0 | 0 | 0 | 112.5 | H348 E349 K353 | H348-N351 WeakPolarHBondContact CB-OD1 3.42Å; H348-N351 PolarHBondContact O-N 2.77Å; H348-N351 PolarHBondContact O-OD1 2.03Å; H348-N351 VanDerWaalsContact O-OD1 3.06Å; E349-N351 PolarHBondContact O-N 3.09Å; N351-K353 HydrophobicContact CB-CB 4.36Å; N351-K353 VanDerWaalsContact ND2-CB 3.29Å; N351-K353 WeakPolarHBondContact ND2-CB 3.37Å; N351-K353 PolarHBondContact O-N 2.87Å; N351-K353 WeakPolarHBondContact OD1-CB 3.06Å; N351-K353 PolarHBondContact OD1-N 3.28Å |
| 352 | K | 57.1 | Low | 71 | Confident | 70 Ų | 70 | 39 Ų | 39 | 30% | 0.304 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.7 | 32.4 | -168.1 | -68.8 | -167 | 168.8 | -165.2 | 0 | 112 | F347 H348 D355 M439 F474 | F347-K352 HydrophobicContact CE2-CB 4.22Å; F347-K352 HydrophobicContact CE2-CG 4.26Å; F347-K352 HydrophobicContact CZ-CG 4.23Å; H348-K352 VanDerWaalsContact O-CA 3.29Å; H348-K352 WeakPolarHBondContact O-CA 3.42Å; H348-K352 PolarHBondContact O-N 3.26Å; K352-D355 WeakPolarHBondContact O-CB 3.44Å; K352-M439 WeakPolarHBondContact O-CE 3.47Å; K352-F474 HydrophobicContact CB-CD1 3.83Å; K352-F474 HydrophobicContact CB-CE1 3.56Å; K352-F474 HydrophobicContact CB-CZ 4.35Å; K352-F474 HydrophobicContact CD-CB 3.92Å; K352-F474 HydrophobicContact CD-CD1 3.35Å; K352-F474 HydrophobicContact CD-CD2 4.46Å; K352-F474 HydrophobicContact CD-CE1 3.92Å; K352-F474 HydrophobicContact CD-CG 3.68Å; K352-F474 HydrophobicContact CG-CD1 4.17Å; K352-F474 HydrophobicContact CG-CE1 4.27Å |
| 353 | K | 62.4 | Low | 71 | Confident | 62 Ų | 62 | 45 Ų | 45 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -70.4 | 141.8 | -179.7 | 177.1 | -175.4 | 169.8 | -164.2 | 0 | 108.4 | F347 H348 N351 D355 | F347-K353 WeakPolarHBondContact CA-O 3.42Å; H348-K353 HydrophobicContact CB-CB 4.37Å; H348-K353 PolarHBondContact N-O 2.88Å; H348-K353 PolarHBondContact O-N 3.02Å; N351-K353 HydrophobicContact CB-CB 4.36Å; N351-K353 VanDerWaalsContact ND2-CB 3.29Å; N351-K353 WeakPolarHBondContact ND2-CB 3.37Å; N351-K353 PolarHBondContact O-N 2.87Å; N351-K353 WeakPolarHBondContact OD1-CB 3.06Å; N351-K353 PolarHBondContact OD1-N 3.28Å; K353-D355 VanDerWaalsContact C-N 3.26Å; K353-D355 PolarHBondContact O-N 2.92Å |
| 354 | D | 72.3 | Confident | 71.1 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 38.1 | 179.7 | -48.5 | -36.1 | 0 | 0 | 0 | 112.7 | I356 Y496 | D354-I356 PolarHBondContact O-N 3.28Å; D354-Y496 VanDerWaalsContact CA-OH 3.3Å; D354-Y496 WeakPolarHBondContact CA-OH 3.13Å; D354-Y496 HydrophobicContact CB-CE1 3.8Å; D354-Y496 VanDerWaalsContact OD1-CE1 3.28Å; D354-Y496 WeakPolarHBondContact OD1-CE1 3.25Å; D354-Y496 VanDerWaalsContact OD1-CZ 3.28Å; D354-Y496 PolarHBondContact OD1-OH 2.93Å |
| 355 | D | 80.6 | Confident | 71.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -71.7 | 72 | 173.2 | -169.9 | 22.2 | 0 | 0 | 0 | 111.6 | A275 H276 F347 K352 K353 S473 T491 | A275-D355 WeakPolarHBondContact CA-OD1 3.42Å; A275-D355 PolarHBondContact N-OD1 2.93Å; H276-D355 IonicContact CE1-OD2 4Å; H276-D355 IonicContact CG-OD1 2.81Å; H276-D355 IonicContact CG-OD2 3.5Å; H276-D355 PolarHBondContact N-OD1 3.11Å; H276-D355 IonicContact ND1-OD1 3.05Å; H276-D355 PolarHBondContact ND1-OD1 3.17Å; H276-D355 IonicContact ND1-OD2 3.76Å; H276-D355 PolarHBondContact ND1-OD2 3.03Å; F347-D355 HydrophobicContact CD2-CB 4.05Å; F347-D355 HydrophobicContact CE2-CB 3.93Å; K352-D355 WeakPolarHBondContact O-CB 3.44Å; K353-D355 VanDerWaalsContact C-N 3.26Å; K353-D355 PolarHBondContact O-N 2.92Å; D355-S473 WeakPolarHBondContact CB-OG 3.21Å; D355-S473 WeakPolarHBondContact OD2-CA 3.38Å; D355-S473 WeakPolarHBondContact OD2-CB 3.43Å; D355-S473 PolarHBondContact OD2-OG 3.03Å; D355-T491 WeakPolarHBondContact O-CB 3.5Å; D355-T491 PolarHBondContact O-OG1 2.77Å | ||
| 356 | I | 87.9 | Confident | 72.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -146.1 | 140.7 | 178.3 | -175.2 | 166.5 | 0 | 0 | 0 | 109.5 | L272 T273 G345 D354 I471 T491 Y496 W499 | L272-I356 HydrophobicContact CD1-CD1 4.46Å; L272-I356 HydrophobicContact CD2-CD1 4.06Å; L272-I356 HydrophobicContact CD2-CG1 4.15Å; T273-I356 CarbonylContact O-C 3.52Å; T273-I356 WeakPolarHBondContact O-CA 3.37Å; G345-I356 PolarHBondContact N-O 2.81Å; D354-I356 PolarHBondContact O-N 3.28Å; I356-I471 HydrophobicContact CB-CD1 4.32Å; I356-I471 HydrophobicContact CD1-CD1 3.49Å; I356-I471 VanDerWaalsContact CD1-CD1 3.49Å; I356-I471 HydrophobicContact CG1-CD1 3.54Å; I356-T491 HydrophobicContact CB-CG2 4.08Å; I356-T491 HydrophobicContact CG2-CG2 4.43Å; I356-Y496 HydrophobicContact CD1-CD2 4.15Å; I356-Y496 HydrophobicContact CD1-CG 4.01Å; I356-Y496 HydrophobicContact CG2-CD1 3.62Å; I356-Y496 HydrophobicContact CG2-CD2 4.33Å; I356-Y496 HydrophobicContact CG2-CE1 3.8Å; I356-Y496 HydrophobicContact CG2-CE2 4.49Å; I356-Y496 HydrophobicContact CG2-CG 3.92Å; I356-W499 HydrophobicContact CD1-CZ3 4.22Å; I356-W499 HydrophobicContact CG1-CZ3 4.15Å; I356-W499 HydrophobicContact CG2-CH2 4.34Å; I356-W499 HydrophobicContact CG2-CZ3 4.06Å | ||
| 357 | A | 87 | Confident | 72.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 147.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | L272 T273 A275 V278 I343 | L272-A357 WeakPolarHBondContact CA-O 3.29Å; T273-A357 HydrophobicContact CG2-CB 4.2Å; T273-A357 PolarHBondContact N-O 3.17Å; T273-A357 PolarHBondContact O-N 3.06Å; A275-A357 HydrophobicContact CB-CB 4.46Å; V278-A357 HydrophobicContact CG2-CB 3.87Å; I343-A357 CarbonylContact O-C 3.47Å; I343-A357 WeakPolarHBondContact O-CA 3.26Å |
| 358 | I | 87 | Confident | 73.9 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.9 | 171.1 | -57.6 | 161.1 | 0 | 0 | 0 | 107.9 | L270 V271 L272 I343 W499 M500 A503 | L270-I358 HydrophobicContact CD2-CG2 3.78Å; V271-I358 WeakPolarHBondContact O-CA 3.34Å; L272-I358 HydrophobicContact CD2-CB 4.49Å; L272-I358 HydrophobicContact CD2-CG1 3.66Å; I343-I358 HydrophobicContact CB-CB 4.26Å; I343-I358 PolarHBondContact N-O 2.05Å; I343-I358 PolarHBondContact O-N 2.81Å; I358-W499 HydrophobicContact CD1-CE3 4.29Å; I358-W499 HydrophobicContact CD1-CH2 3.64Å; I358-W499 HydrophobicContact CD1-CZ2 4.24Å; I358-W499 HydrophobicContact CD1-CZ3 3.66Å; I358-W499 HydrophobicContact CG1-CH2 3.65Å; I358-W499 HydrophobicContact CG1-CZ3 3.77Å; I358-M500 HydrophobicContact CD1-CB 4.23Å; I358-M500 HydrophobicContact CD1-CG 3.92Å; I358-M500 HydrophobicContact CG1-CG 4.43Å; I358-A503 HydrophobicContact CD1-CB 4.16Å |
| 359 | L | 88.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.5 | 167.6 | -48.1 | -179 | 0 | 0 | 0 | 109 | I244 V271 T273 V278 V318 V320 V339 I342 | I244-L359 HydrophobicContact CD1-CD1 3.67Å; I244-L359 HydrophobicContact CG1-CD1 4.28Å; I244-L359 HydrophobicContact CG2-CD1 4.4Å; V271-L359 HydrophobicContact CB-CB 4.25Å; V271-L359 PolarHBondContact N-O 2.81Å; V271-L359 PolarHBondContact O-N 3.3Å; T273-L359 HydrophobicContact CG2-CD1 4.06Å; T273-L359 HydrophobicContact CG2-CD2 4.31Å; T273-L359 HydrophobicContact CG2-CG 4.04Å; V278-L359 HydrophobicContact CG1-CD2 3.91Å; V318-L359 HydrophobicContact CG1-CD1 4.36Å; V320-L359 HydrophobicContact CG2-CD1 4.1Å; V339-L359 HydrophobicContact CG1-CB 4.13Å; V339-L359 HydrophobicContact CG1-CD2 4.43Å; V339-L359 HydrophobicContact CG2-CB 4.21Å; V339-L359 HydrophobicContact CG2-CD1 4.28Å; I342-L359 HydrophobicContact CB-CD2 4.28Å; I342-L359 HydrophobicContact CG1-CD2 3.93Å; I342-L359 HydrophobicContact CG2-CD2 3.94Å |
| 360 | K | 84.6 | Confident | 76.3 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 118.3 | 172.8 | -174.2 | 66.7 | -178.9 | -178.8 | 0 | 109.8 | D269 L270 T340 H341 N561 | D269-K360 IonicContact OD1-NZ 3.62Å; D269-K360 PolarHBondContact OD1-NZ 3.3Å; D269-K360 WeakPolarHBondContact OD2-CE 3.31Å; D269-K360 IonicContact OD2-NZ 3.4Å; D269-K360 PolarHBondContact OD2-NZ 3.09Å; L270-K360 HydrophobicContact CD2-CD 3.47Å; L270-K360 VanDerWaalsContact CD2-CD 3.47Å; T340-K360 PolarHBondContact N-O 3.44Å; T340-K360 PolarHBondContact OG1-O 3.02Å; H341-K360 HydrophobicContact CB-CB 3.99Å; H341-K360 PolarHBondContact N-O 2.8Å; H341-K360 PolarHBondContact O-N 2.93Å; K360-N561 WeakPolarHBondContact CE-ND2 3.45Å; K360-N561 WeakPolarHBondContact CE-OD1 3.39Å; K360-N561 PolarHBondContact NZ-ND2 2.68Å; K360-N561 PolarHBondContact NZ-OD1 3.3Å |
| 361 | L | 86.2 | Confident | 78.3 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 155 | -179.6 | -52.3 | 178.6 | 0 | 0 | 0 | 111.7 | D269 V271 V320 F322 R337 A338 V339 R363 V365 | D269-L361 HydrophobicContact CB-CB 4.2Å; D269-L361 WeakPolarHBondContact O-CG 3.45Å; D269-L361 PolarHBondContact O-N 3.22Å; V271-L361 HydrophobicContact CG2-CD1 4.06Å; V271-L361 HydrophobicContact CG2-CD2 4.19Å; V271-L361 HydrophobicContact CG2-CG 4.34Å; V320-L361 HydrophobicContact CB-CD2 4.17Å; V320-L361 HydrophobicContact CG2-CD2 4.04Å; F322-L361 HydrophobicContact CE2-CD1 3.76Å; F322-L361 HydrophobicContact CZ-CD1 3.58Å; R337-L361 HydrophobicContact CB-CB 4.08Å; R337-L361 HydrophobicContact CB-CD1 3.96Å; R337-L361 HydrophobicContact CB-CD2 3.97Å; R337-L361 HydrophobicContact CB-CG 4.21Å; R337-L361 HydrophobicContact CG-CB 4.47Å; R337-L361 HydrophobicContact CG-CD1 4Å; A338-L361 CarbonylContact O-C 3.47Å; A338-L361 WeakPolarHBondContact O-CA 3.38Å; V339-L361 HydrophobicContact CG2-CD2 4.42Å; L361-R363 VanDerWaalsContact C-N 3.25Å; L361-R363 PolarHBondContact O-N 3.48Å; L361-V365 HydrophobicContact CD1-CG2 3.54Å |
| 362 | D | 78.1 | Confident | 79.9 | Confident | 65 Ų | 65 | 39.1 Ų | 39.1 | 35% | 0.348 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | -32.5 | 178.2 | 70.9 | -53.5 | 0 | 0 | 0 | 113.9 | R337 A338 T340 | R337-D362 WeakPolarHBondContact CD-OD1 3.34Å; A338-D362 HydrophobicContact CB-CB 4.36Å; A338-D362 PolarHBondContact N-OD1 2.86Å; A338-D362 PolarHBondContact O-N 3.42Å; T340-D362 HydrophobicContact CG2-CB 3.93Å |
| 363 | R | 79.4 | Confident | 81.3 | Confident | 145 Ų | 145 | 35.9 Ų | 35.9 | 55% | 0.547 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 158.7 | 177.4 | 64.7 | -172.7 | 177.3 | -108.4 | 10.5 | 110.4 | R337 L361 | R337-R363 WeakPolarHBondContact CD-O 3.05Å; R337-R363 PolarHBondContact NE-O 3.37Å; L361-R363 VanDerWaalsContact C-N 3.25Å; L361-R363 PolarHBondContact O-N 3.48Å |
| 364 | K | 79.8 | Confident | 82.7 | Confident | 61 Ų | 61 | 32.9 Ų | 32.9 | 27% | 0.265 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 144.1 | 178.3 | -59.3 | -166.5 | 170.3 | -157.7 | 0 | 112.6 | S267 D269 R337 | S267-K364 VanDerWaalsContact OG-CD 3.26Å; S267-K364 WeakPolarHBondContact OG-CD 3.18Å; D269-K364 HydrophobicContact CB-CG 4Å; R337-K364 PolarHBondContact NE-O 2.71Å; R337-K364 PolarHBondContact NH2-O 3Å |
| 365 | V | 83.7 | Confident | 83.4 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 126.8 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | L259 S267 S268 F322 R337 L361 Y367 I371 | L259-V365 HydrophobicContact CD1-CB 4.43Å; L259-V365 HydrophobicContact CD1-CG2 4.17Å; L259-V365 HydrophobicContact CD2-CB 4.22Å; L259-V365 HydrophobicContact CD2-CG1 4.1Å; S267-V365 VanDerWaalsContact CA-O 3.27Å; S267-V365 WeakPolarHBondContact CA-O 3.38Å; S267-V365 WeakPolarHBondContact CB-O 3.42Å; S268-V365 WeakPolarHBondContact O-CB 3.49Å; S268-V365 PolarHBondContact O-N 3.21Å; F322-V365 HydrophobicContact CB-CG1 4.45Å; F322-V365 HydrophobicContact CD2-CG1 4.03Å; F322-V365 HydrophobicContact CD2-CG2 3.71Å; F322-V365 HydrophobicContact CE2-CG2 3.43Å; F322-V365 VanDerWaalsContact CE2-CG2 3.43Å; F322-V365 HydrophobicContact CG-CG1 4.18Å; F322-V365 HydrophobicContact CG-CG2 4.4Å; F322-V365 HydrophobicContact CZ-CG2 3.88Å; R337-V365 HydrophobicContact CG-CG2 3.79Å; L361-V365 HydrophobicContact CD1-CG2 3.54Å; V365-Y367 PolarHBondContact O-N 2.94Å; V365-I371 HydrophobicContact CG1-CG2 3.51Å |
| 366 | N | 78.4 | Confident | 83.7 | Confident | 103 Ų | 103 | 34.1 Ų | 34.1 | 55% | 0.551 | 16% | 0.157 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 118.4 | 179.9 | -64.4 | -29.7 | 0 | 0 | 0 | 108.6 | Q335 | Q335-N366 PolarHBondContact NE2-O 2.95Å |
| 367 | Y | 78.9 | Confident | 83.5 | Confident | 35 Ų | 35 | 34.7 Ų | 34.7 | 14% | 0.137 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 142 | 176.2 | -65.6 | -5.7 | 0 | 0 | 0 | 111 | L259 D261 N266 S268 V365 I371 G373 | L259-Y367 HydrophobicContact CD2-CD1 4.39Å; L259-Y367 HydrophobicContact CD2-CE1 3.79Å; L259-Y367 HydrophobicContact CG-CE1 4.42Å; D261-Y367 WeakPolarHBondContact OD2-CE2 3.4Å; D261-Y367 PolarHBondContact OD2-OH 2.77Å; N266-Y367 VanDerWaalsContact O-CB 3.29Å; N266-Y367 WeakPolarHBondContact O-CB 2.99Å; N266-Y367 WeakPolarHBondContact O-CD2 3.39Å; S268-Y367 VanDerWaalsContact CB-OH 3.32Å; S268-Y367 WeakPolarHBondContact CB-OH 3.11Å; V365-Y367 PolarHBondContact O-N 2.94Å; Y367-I371 CarbonylContact C-O 3.59Å; Y367-I371 WeakPolarHBondContact CA-O 3.44Å; Y367-I371 WeakPolarHBondContact CB-O 2.96Å; Y367-G373 VanDerWaalsContact CZ-N 3.33Å |
| 368 | N | 76.6 | Confident | 82.9 | Confident | 61 Ų | 61 | 37.8 Ų | 37.8 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | trans | -150 | -168.7 | 175.3 | 63.7 | 32.8 | 0 | 0 | 0 | 109.1 | Y370 I371 Q372 | N368-Y370 PolarHBondContact O-N 2.62Å; N368-Y370 VanDerWaalsContact O-N 3.15Å; N368-Y370 WeakPolarHBondContact OD1-CA 3.28Å; N368-Y370 WeakPolarHBondContact OD1-CB 3.39Å; N368-Y370 PolarHBondContact OD1-N 2.98Å; N368-I371 PolarHBondContact N-O 3.41Å; N368-I371 PolarHBondContact O-N 2.73Å; N368-I371 VanDerWaalsContact O-O 3.05Å; N368-I371 PolarHBondContact OD1-N 2.9Å; N368-Q372 WeakPolarHBondContact O-CG 2.93Å | ||
| 369 | K | 73.9 | Confident | 81.9 | Confident | 102 Ų | 102 | 41 Ų | 41 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -61.7 | -18.4 | 178.8 | 55.6 | 167 | 158.7 | 164.8 | 0 | 114.9 | Y214 | Y214-K369 HydrophobicContact CG-CB 4.41Š|
| 370 | Y | 81.6 | Confident | 80.7 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 20% | 0.2 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -109.3 | -16 | -176.3 | -47 | -61.6 | 0 | 0 | 0 | 113.5 | F215 H236 P239 T333 N368 | F215-Y370 HydrophobicContact CE2-CD1 4.05Å; F215-Y370 HydrophobicContact CE2-CE1 4.15Å; F215-Y370 HydrophobicContact CZ-CE1 4.34Å; H236-Y370 HydrophobicContact CB-CD1 3.88Å; H236-Y370 AromaticContact CD2-CD1 3.62Å; H236-Y370 AromaticContact CD2-CE1 3.93Å; H236-Y370 AromaticContact CG-CD1 3.5Å; H236-Y370 AromaticContact ND1-CD1 3.81Å; H236-Y370 AromaticContact NE2-CD1 3.99Å; P239-Y370 WeakPolarHBondContact CA-O 3.45Å; P239-Y370 WeakPolarHBondContact CB-O 3.43Å; T333-Y370 HydrophobicContact CG2-CD2 3.81Å; T333-Y370 HydrophobicContact CG2-CE1 4.39Å; T333-Y370 HydrophobicContact CG2-CE2 3.63Å; T333-Y370 HydrophobicContact CG2-CG 4.23Å; N368-Y370 PolarHBondContact O-N 2.62Å; N368-Y370 VanDerWaalsContact O-N 3.15Å; N368-Y370 WeakPolarHBondContact OD1-CA 3.28Å; N368-Y370 WeakPolarHBondContact OD1-CB 3.39Å; N368-Y370 PolarHBondContact OD1-N 2.98Å |
| 371 | I | 87.5 | Confident | 79.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -135.4 | 119.1 | -173.6 | -58.6 | 166.1 | 0 | 0 | 0 | 109.5 | P239 L259 F322 Q335 V365 Y367 N368 | P239-I371 WeakPolarHBondContact O-CA 3.35Å; L259-I371 HydrophobicContact CD2-CG2 3.82Å; F322-I371 HydrophobicContact CB-CD1 3.85Å; F322-I371 HydrophobicContact CB-CG1 3.97Å; F322-I371 HydrophobicContact CB-CG2 3.89Å; F322-I371 HydrophobicContact CG-CG2 4.48Å; Q335-I371 HydrophobicContact CB-CD1 3.91Å; Q335-I371 HydrophobicContact CG-CD1 3.72Å; V365-I371 HydrophobicContact CG1-CG2 3.51Å; Y367-I371 CarbonylContact C-O 3.59Å; Y367-I371 WeakPolarHBondContact CA-O 3.44Å; Y367-I371 WeakPolarHBondContact CB-O 2.96Å; N368-I371 PolarHBondContact N-O 3.41Å; N368-I371 PolarHBondContact O-N 2.73Å; N368-I371 VanDerWaalsContact O-O 3.05Å; N368-I371 PolarHBondContact OD1-N 2.9Å | ||
| 372 | Q | 85.6 | Confident | 78.3 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | trans | -153.3 | 150 | 180 | -62 | -177 | -4.9 | 0 | 0 | 109.8 | K212 P239 W240 N368 | K212-Q372 PolarHBondContact O-OE1 2.87Å; P239-Q372 CarbonylContact C-O 3.39Å; P239-Q372 VanDerWaalsContact C-O 3.32Å; P239-Q372 HydrophobicContact CB-CB 4.03Å; P239-Q372 HydrophobicContact CB-CG 4.29Å; P239-Q372 HydrophobicContact CG-CB 3.94Å; P239-Q372 HydrophobicContact CG-CG 4.35Å; P239-Q372 PolarHBondContact O-N 3.2Å; P239-Q372 VanDerWaalsContact O-N 3.09Å; W240-Q372 WeakPolarHBondContact CA-O 3.44Å; W240-Q372 VanDerWaalsContact CB-O 3.3Å; W240-Q372 WeakPolarHBondContact CB-O 3.39Å; W240-Q372 PolarHBondContact N-O 2.89Å; N368-Q372 WeakPolarHBondContact O-CG 2.93Å | ||
| 373 | G | 88.1 | Confident | 77.3 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 146.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G211 L259 Y367 | G211-G373 PolarHBondContact N-O 3.23Å; L259-G373 VanDerWaalsContact O-CA 3.31Å; L259-G373 WeakPolarHBondContact O-CA 3.28Å; Y367-G373 VanDerWaalsContact CZ-N 3.33Å |
| 374 | I | 90.8 | Very high | 76.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -83.7 | 149.3 | 171.1 | -164.8 | 166.5 | 0 | 0 | 0 | 110.9 | W240 L259 I260 D261 A459 Y466 L468 | W240-I374 HydrophobicContact CB-CB 3.79Å; W240-I374 HydrophobicContact CB-CG2 4.24Å; W240-I374 HydrophobicContact CD2-CB 3.82Å; W240-I374 HydrophobicContact CD2-CD1 4.06Å; W240-I374 HydrophobicContact CD2-CG1 4.09Å; W240-I374 HydrophobicContact CE3-CB 4.08Å; W240-I374 HydrophobicContact CE3-CG1 4.34Å; W240-I374 HydrophobicContact CG-CB 3.68Å; W240-I374 HydrophobicContact CG-CD1 4.2Å; W240-I374 HydrophobicContact CG-CG1 4.33Å; W240-I374 HydrophobicContact CG-CG2 4.39Å; W240-I374 HydrophobicContact CZ2-CD1 4.47Å; L259-I374 PolarHBondContact O-N 3.33Å; I260-I374 HydrophobicContact CG2-CG2 4.38Å; D261-I374 PolarHBondContact N-O 2.86Å; D261-I374 VanDerWaalsContact N-O 3.09Å; I374-A459 HydrophobicContact CD1-CB 3.45Å; I374-A459 VanDerWaalsContact CD1-CB 3.45Å; I374-Y466 VanDerWaalsContact CG1-O 3.24Å; I374-Y466 WeakPolarHBondContact CG1-O 3.49Å; I374-L468 HydrophobicContact CD1-CB 3.98Å; I374-L468 HydrophobicContact CD1-CD1 4.4Å; I374-L468 HydrophobicContact CG1-CB 4.24Å; I374-L468 HydrophobicContact CG2-CB 3.76Å; I374-L468 HydrophobicContact CG2-CD2 4.13Å; I374-L468 HydrophobicContact CG2-CG 4.36Å |
| 375 | C | 87.5 | Confident | 74.8 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 151.3 | 175.8 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | C210 Y466 V467 L468 | C210-C375 HydrophobicContact CB-CB 4.13Å; C210-C375 WeakPolarHBondContact CB-SG 3.39Å; C210-C375 PolarHBondContact O-SG 3.34Å; C210-C375 WeakPolarHBondContact SG-CB 3.15Å; C210-C375 CovalentContact SG-SG 2.04Å; C210-C375 PolarHBondContact SG-SG 3.2Å; C375-Y466 PolarHBondContact N-O 3.02Å; C375-V467 HydrophobicContact CB-CG2 4.21Å; C375-V467 WeakPolarHBondContact O-CA 3.17Å; C375-L468 PolarHBondContact O-N 3.46Å |
| 376 | L | 86.2 | Confident | 73.2 | Confident | 38 Ų | 38 | 55 Ų | 55 | 20% | 0.199 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -95.8 | 150.8 | 172.3 | -68.8 | 172 | 0 | 0 | 0 | 112.1 | I260 W262 L272 L468 V493 L497 M500 | I260-L376 HydrophobicContact CB-CD2 4.49Å; I260-L376 HydrophobicContact CD1-CD1 4.39Å; I260-L376 HydrophobicContact CG2-CD2 3.98Å; W262-L376 HydrophobicContact CD2-CD1 4.39Å; W262-L376 HydrophobicContact CE3-CD1 3.26Å; W262-L376 HydrophobicContact CZ3-CD1 3.57Å; L272-L376 HydrophobicContact CD1-CD2 4.31Å; L376-L468 HydrophobicContact CD2-CD2 4.33Å; L376-V493 HydrophobicContact CD2-CG1 3.85Å; L376-L497 HydrophobicContact CB-CD2 4.15Å; L376-L497 HydrophobicContact CD1-CD2 4.12Å; L376-L497 HydrophobicContact CD2-CD2 4.37Å; L376-L497 HydrophobicContact CG-CD2 4.46Å; L376-M500 HydrophobicContact CD1-CE 4.21Å |
| 377 | P | 83.5 | Confident | 72.1 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 7% | 0.071 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 167.7 | 177.1 | 28.9 | -33.5 | 0 | 0 | 0 | 111.6 | V467 L468 Y469 V493 L497 | P377-V467 HydrophobicContact CB-CG1 3.92Å; P377-V467 HydrophobicContact CG-CG1 4.5Å; P377-L468 VanDerWaalsContact CD-O 3.24Å; P377-L468 WeakPolarHBondContact CD-O 3.43Å; P377-Y469 HydrophobicContact CB-CD1 4.4Å; P377-Y469 HydrophobicContact CB-CE1 4.18Å; P377-V493 HydrophobicContact CG-CB 4.37Å; P377-V493 HydrophobicContact CG-CG1 4.14Å; P377-L497 HydrophobicContact CG-CD1 4.43Å; P377-L497 WeakPolarHBondContact O-CD1 3.48Å |
| 378 | S | 75.2 | Confident | 71.2 | Confident | 65 Ų | 65 | 60.3 Ų | 60.3 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 153.3 | 171.5 | 71 | 0 | 0 | 0 | 0 | 112.3 | D380 E381 | S378-D380 PolarHBondContact O-N 3.02Å; S378-E381 PolarHBondContact N-OE2 2.79Å; S378-E381 VanDerWaalsContact O-CB 3.31Å; S378-E381 WeakPolarHBondContact O-CB 3.39Å; S378-E381 PolarHBondContact O-N 2.9Å; S378-E381 WeakPolarHBondContact OG-CB 3.41Å; S378-E381 PolarHBondContact OG-OE2 3.38Å |
| 379 | I | 65.8 | Low | 71.3 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -42 | -177.3 | -70.3 | 166.4 | 0 | 0 | 0 | 111.5 | E381 L497 D498 | I379-E381 PolarHBondContact O-N 2.96Å; I379-L497 HydrophobicContact CD1-CB 4.44Å; I379-L497 HydrophobicContact CG1-CB 3.95Å; I379-L497 HydrophobicContact CG1-CD1 3.83Å; I379-D498 VanDerWaalsContact CD1-OD1 3.25Å; I379-D498 WeakPolarHBondContact CD1-OD1 3.33Å |
| 380 | D | 62.9 | Low | 71.7 | Confident | 151 Ų | 151 | 55.7 Ų | 55.7 | 81% | 0.807 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 2.8 | -176.1 | -60 | -43.1 | 0 | 0 | 0 | 113.3 | S378 K382 | S378-D380 PolarHBondContact O-N 3.02Å; D380-K382 PolarHBondContact O-N 3.1Å; D380-K382 VanDerWaalsContact O-N 3.1Å |
| 381 | E | 64 | Low | 71.8 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 15% | 0.15 | 28% | 0.275 | C | S | . | . | trans | -72.6 | 108.6 | -173.7 | -153.6 | 170.8 | 144.7 | 0 | 0 | 112 | S378 I379 F383 K462 Y469 | S378-E381 PolarHBondContact N-OE2 2.79Å; S378-E381 VanDerWaalsContact O-CB 3.31Å; S378-E381 WeakPolarHBondContact O-CB 3.39Å; S378-E381 PolarHBondContact O-N 2.9Å; S378-E381 WeakPolarHBondContact OG-CB 3.41Å; S378-E381 PolarHBondContact OG-OE2 3.38Å; I379-E381 PolarHBondContact O-N 2.96Å; E381-F383 PolarHBondContact O-N 3.44Å; E381-K462 IonicContact OE1-NZ 2.9Å; E381-K462 PolarHBondContact OE1-NZ 2.83Å; E381-K462 IonicContact OE2-NZ 2.76Å; E381-K462 PolarHBondContact OE2-NZ 2.87Å; E381-Y469 PolarHBondContact OE1-OH 3.34Å | ||
| 382 | K | 56.2 | Low | 71.7 | Confident | 185 Ų | 185 | 54.4 Ų | 54.4 | 80% | 0.804 | 28% | 0.282 | S | S | * | . | trans | -70.4 | 109.8 | 165.9 | -68.6 | -175.4 | -178.4 | 177.4 | 0 | 108.1 | D380 T384 | D380-K382 PolarHBondContact O-N 3.1Å; D380-K382 VanDerWaalsContact O-N 3.1Å; K382-T384 PolarHBondContact O-N 2.9Å | ||
| 383 | F | 57 | Low | 71.7 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | trans | -59.7 | 99.9 | 169.2 | -173 | -98 | 0 | 0 | 0 | 108.9 | E381 M424 L440 Y469 | E381-F383 PolarHBondContact O-N 3.44Å; F383-M424 HydrophobicContact CE1-CB 4.02Å; F383-M424 HydrophobicContact CE1-CE 4.04Å; F383-M424 HydrophobicContact CZ-CB 3.59Å; F383-M424 HydrophobicContact CZ-CE 3.63Å; F383-M424 HydrophobicContact CZ-CG 3.87Å; F383-L440 HydrophobicContact CD1-CD2 3.91Å; F383-L440 HydrophobicContact CD2-CD2 4.48Å; F383-L440 HydrophobicContact CE1-CD2 4.12Å; F383-L440 HydrophobicContact CE2-CD1 4.46Å; F383-L440 HydrophobicContact CG-CD2 4.09Å; F383-L440 HydrophobicContact CZ-CD2 4.49Å; F383-Y469 AromaticContact CD2-CD1 3.68Å; F383-Y469 HydrophobicContact CD2-CD1 3.68Å; F383-Y469 HydrophobicContact CD2-CE1 4.02Å; F383-Y469 HydrophobicContact CD2-CG 4.34Å; F383-Y469 AromaticContact CE2-CD1 3.96Å; F383-Y469 HydrophobicContact CE2-CD1 3.96Å; F383-Y469 HydrophobicContact CE2-CE1 4.47Å; F383-Y469 HydrophobicContact CE2-CG 4.16Å | ||
| 384 | T | 54.9 | Low | 71.5 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 52% | 0.515 | 28% | 0.277 | S | S | . | . | trans | -82.2 | 153.7 | 166.7 | 42.6 | 0 | 0 | 0 | 0 | 108.6 | K382 Y386 | K382-T384 PolarHBondContact O-N 2.9Å; T384-Y386 VanDerWaalsContact C-N 3.34Å; T384-Y386 WeakPolarHBondContact O-CD2 3.41Å; T384-Y386 PolarHBondContact O-N 3.12Å | ||
| 385 | P | 52.4 | Low | 71 | Confident | 77 Ų | 77 | 53.8 Ų | 53.8 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | trans | -53.2 | 100.8 | 170.1 | -18.1 | 27.3 | 0 | 0 | 0 | 108.6 | K387 D426 | P385-K387 PolarHBondContact O-N 3.36Å; P385-D426 HydrophobicContact CG-CB 3.72Å | ||
| 386 | Y | 50.1 | Low | 70.1 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | trans | -73.5 | 118.5 | -171.2 | -112.8 | -93.6 | 0 | 0 | 0 | 107.4 | T384 G388 K462 | T384-Y386 VanDerWaalsContact C-N 3.34Å; T384-Y386 WeakPolarHBondContact O-CD2 3.41Å; T384-Y386 PolarHBondContact O-N 3.12Å; Y386-G388 PolarHBondContact O-N 3.33Å; Y386-K462 HydrophobicContact CE1-CB 4.16Å; Y386-K462 HydrophobicContact CE1-CG 4.25Å; Y386-K462 WeakPolarHBondContact OH-CD 3.25Å; Y386-K462 WeakPolarHBondContact OH-CE 3.31Å; Y386-K462 WeakPolarHBondContact OH-CG 3.35Å | ||
| 387 | K | 54.7 | Low | 68.9 | Low | 222 Ų | 222 | 53.6 Ų | 53.6 | 97% | 0.965 | 28% | 0.281 | S | S | * | . | trans | -72 | 7.1 | 163.6 | -77.1 | -173.6 | 174.6 | -178.4 | 0 | 112.4 | P385 | P385-K387 PolarHBondContact O-N 3.36Š| ||
| 388 | G | 61.6 | Low | 67.6 | Low | 27 Ų | 27 | 57.3 Ų | 57.3 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -83 | 162.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y386 C390 | Y386-G388 PolarHBondContact O-N 3.33Å; G388-C390 PolarHBondContact O-N 2.9Å |
| 389 | R | 78 | Confident | 66.3 | Low | 65 Ų | 65 | 56.9 Ų | 56.9 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | trans | -75.8 | 114.6 | 177.8 | -56.4 | 176.5 | 62.6 | -153.9 | -2.9 | 109 | D216 F391 E421 L461 | D216-R389 IonicContact OD1-NH1 3.42Å; R389-F391 HydrophobicContact CB-CE2 3.85Å; R389-F391 HydrophobicContact CB-CZ 4.32Å; R389-F391 VanDerWaalsContact NH2-CZ 3.34Å; R389-E421 VanDerWaalsContact CB-OE1 3.31Å; R389-E421 WeakPolarHBondContact CB-OE1 3.07Å; R389-E421 WeakPolarHBondContact CG-OE1 3.46Å; R389-E421 IonicContact NE-OE1 3.52Å; R389-E421 IonicContact NE-OE2 3.12Å; R389-L461 HydrophobicContact CB-CB 4.44Å; R389-L461 PolarHBondContact O-N 3.49Å | ||
| 390 | C | 81.6 | Confident | 65.1 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 133.7 | 174.9 | -65 | 0 | 0 | 0 | 0 | 109.7 | G388 E421 V422 L458 A459 C460 | G388-C390 PolarHBondContact O-N 2.9Å; C390-E421 CarbonylContact O-C 3.47Å; C390-E421 VanDerWaalsContact O-CA 3.27Å; C390-E421 WeakPolarHBondContact O-CA 3.45Å; C390-V422 PolarHBondContact O-N 3.48Å; C390-L458 HydrophobicContact CB-CD1 4.13Å; C390-A459 CarbonylContact C-O 3.59Å; C390-A459 WeakPolarHBondContact CA-O 3.46Å; C390-C460 HydrophobicContact CB-CB 4.05Å; C390-C460 WeakPolarHBondContact CB-SG 3.46Å; C390-C460 WeakPolarHBondContact SG-CB 3.29Å; C390-C460 CovalentContact SG-SG 2.04Å; C390-C460 PolarHBondContact SG-SG 3.38Å |
| 391 | F | 85.2 | Confident | 63.9 | Low | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.8 | 178.3 | -65 | -85.3 | 0 | 0 | 0 | 111.3 | P217 H238 R389 F420 E421 A459 Y466 | P217-F391 HydrophobicContact CG-CE2 4.3Å; H238-F391 AromaticContact CE1-CG 3.95Å; R389-F391 HydrophobicContact CB-CE2 3.85Å; R389-F391 HydrophobicContact CB-CZ 4.32Å; R389-F391 VanDerWaalsContact NH2-CZ 3.34Å; F391-F420 CarbonylContact C-O 3.59Å; F391-F420 VanDerWaalsContact CA-O 3.3Å; F391-F420 WeakPolarHBondContact CA-O 3.41Å; F391-E421 HydrophobicContact CD1-CB 4.04Å; F391-E421 HydrophobicContact CD1-CG 4.4Å; F391-E421 HydrophobicContact CE1-CB 3.61Å; F391-E421 HydrophobicContact CE1-CG 3.85Å; F391-E421 HydrophobicContact CZ-CB 4.2Å; F391-E421 HydrophobicContact CZ-CG 3.92Å; F391-A459 PolarHBondContact N-O 3.09Å; F391-A459 PolarHBondContact O-N 3.18Å; F391-Y466 AromaticContact CD2-CE1 3.83Å; F391-Y466 HydrophobicContact CD2-CE1 3.83Å; F391-Y466 HydrophobicContact CE2-CE1 4.11Å |
| 392 | V | 84 | Confident | 62.4 | Low | 24 Ų | 24 | 65.8 Ų | 65.8 | 15% | 0.145 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133.4 | 167.7 | 175.3 | 0 | 0 | 0 | 0 | 107 | Q419 F420 V422 L458 I472 F490 | V392-Q419 CarbonylContact O-C 3.55Å; V392-Q419 WeakPolarHBondContact O-CA 3.21Å; V392-F420 PolarHBondContact N-O 3.32Å; V392-F420 PolarHBondContact O-N 3.3Å; V392-V422 HydrophobicContact CB-CG2 4.07Å; V392-V422 HydrophobicContact CG2-CG2 3.47Å; V392-V422 VanDerWaalsContact CG2-CG2 3.47Å; V392-L458 HydrophobicContact CG2-CD1 3.6Å; V392-I472 HydrophobicContact CG1-CD1 3.48Å; V392-I472 VanDerWaalsContact CG1-CD1 3.48Å; V392-I472 HydrophobicContact CG1-CG1 4.03Å; V392-F490 HydrophobicContact CG1-CE1 4.44Å; V392-F490 HydrophobicContact CG2-CE1 3.68Å; V392-F490 HydrophobicContact CG2-CZ 3.8Å |
| 393 | T | 86.5 | Confident | 61.2 | Low | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.1 | -173.8 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | H238 Q241 Q418 Q419 P457 | H238-T393 HydrophobicContact CB-CG2 4.45Å; Q241-T393 PolarHBondContact OE1-OG1 2.91Å; T393-Q418 VanDerWaalsContact CA-O 3.3Å; T393-Q418 WeakPolarHBondContact CA-O 3.31Å; T393-Q419 HydrophobicContact CG2-CB 3.71Å; T393-P457 WeakPolarHBondContact OG1-CG 3.1Å |
| 394 | G | 83.8 | Confident | 59.9 | Low | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 179.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L417 Q418 D453 | G394-L417 WeakPolarHBondContact O-CD1 3.37Å; G394-Q418 PolarHBondContact N-O 2.66Å; G394-Q418 PolarHBondContact O-N 3.42Å; G394-D453 VanDerWaalsContact CA-OD1 3.3Å; G394-D453 WeakPolarHBondContact CA-OD1 3.3Å |
| 395 | W | 79.4 | Confident | 58.6 | Low | 6 Ų | 6 | 73.8 Ų | 73.8 | 2% | 0.023 | 39% | 0.39 | C | S | . | . | trans | -111.5 | 25.5 | 175.9 | -67.8 | -88.8 | 0 | 0 | 0 | 111.8 | Q241 L243 V324 L327 L417 G452 | Q241-W395 HydrophobicContact CG-CH2 3.5Å; Q241-W395 HydrophobicContact CG-CZ3 3.57Å; L243-W395 HydrophobicContact CB-CE3 4.37Å; L243-W395 HydrophobicContact CB-CH2 3.96Å; L243-W395 HydrophobicContact CB-CZ3 3.74Å; L243-W395 HydrophobicContact CD1-CD2 4.38Å; L243-W395 HydrophobicContact CD1-CE3 3.82Å; L243-W395 HydrophobicContact CD1-CZ3 4.07Å; L243-W395 HydrophobicContact CG-CZ3 4.41Å; V324-W395 HydrophobicContact CB-CH2 4.42Å; V324-W395 HydrophobicContact CB-CZ2 4.09Å; V324-W395 HydrophobicContact CG1-CZ2 4.01Å; V324-W395 WeakPolarHBondContact O-CZ2 3.48Å; L327-W395 HydrophobicContact CD1-CG 4.44Å; L327-W395 HydrophobicContact CD2-CD2 4.44Å; L327-W395 HydrophobicContact CD2-CG 4.2Å; L327-W395 HydrophobicContact CG-CG 4.43Å; W395-L417 HydrophobicContact CD2-CD1 3.83Å; W395-L417 HydrophobicContact CE3-CD1 3.95Å; W395-L417 HydrophobicContact CH2-CD1 3.82Å; W395-L417 HydrophobicContact CZ2-CB 4.01Å; W395-L417 HydrophobicContact CZ2-CD1 3.66Å; W395-L417 HydrophobicContact CZ2-CG 4.31Å; W395-L417 HydrophobicContact CZ3-CD1 3.95Å; W395-G452 PolarHBondContact N-O 3.3Å | ||
| 396 | G | 68.8 | Low | 57.6 | Low | 4 Ų | 4 | 78.9 Ų | 78.9 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 145.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I398 P414 E451 D453 | G396-I398 PolarHBondContact O-N 3.26Å; G396-P414 WeakPolarHBondContact O-CD 3.34Å; G396-P414 WeakPolarHBondContact O-CG 3.42Å; G396-E451 VanDerWaalsContact CA-O 3.27Å; G396-E451 WeakPolarHBondContact CA-O 3.31Å; G396-D453 VanDerWaalsContact CA-OD1 3.29Å; G396-D453 WeakPolarHBondContact CA-OD1 3.11Å; G396-D453 PolarHBondContact N-OD1 2.94Å |
| 397 | S | 61.5 | Low | 56.6 | Low | 39 Ų | 39 | 82.2 Ų | 82.2 | 27% | 0.273 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 137.6 | 175.7 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | N413 | S397-N413 PolarHBondContact OG-OD1 2.77Š|
| 398 | I | 56.9 | Low | 55.4 | Low | 90 Ų | 90 | 77 Ų | 77 | 46% | 0.462 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -95.2 | 124.6 | 172.2 | -52.9 | 173.3 | 0 | 0 | 0 | 108.5 | G396 Q412 P414 Q418 | G396-I398 PolarHBondContact O-N 3.26Å; I398-Q412 PolarHBondContact N-O 3.48Å; I398-Q412 PolarHBondContact O-N 3.29Å; I398-P414 HydrophobicContact CD1-CB 3.61Å; I398-P414 HydrophobicContact CD1-CG 4.21Å; I398-P414 HydrophobicContact CG1-CB 4.03Å; I398-P414 HydrophobicContact CG1-CG 4.08Å; I398-Q418 HydrophobicContact CD1-CG 4.21Å; I398-Q418 HydrophobicContact CG1-CG 4.44Å |
| 399 | G | 46.6 | Very low | 54 | Low | 56 Ų | 56 | 79 Ų | 79 | 58% | 0.577 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 167.1 | 160.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L401 | G399-L401 PolarHBondContact O-N 3.33Å; G399-L401 VanDerWaalsContact O-N 3.17Å |
| 400 | E | 41.9 | Very low | 52.1 | Low | 161 Ų | 161 | 83.9 Ų | 83.9 | 75% | 0.752 | 47% | 0.468 | S | S | * | . | trans | -62.4 | 111.2 | 168 | -83.1 | -177.5 | 153.6 | 0 | 0 | 109.2 | I228 Q402 | I228-E400 HydrophobicContact CD1-CG 4.15Å; E400-Q402 VanDerWaalsContact C-N 3.33Å; E400-Q402 PolarHBondContact O-N 2.81Å | ||
| 401 | L | 36.1 | Very low | 50.4 | Low | 116 Ų | 116 | 85.7 Ų | 85.7 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | trans | -68.7 | 96.9 | 159.8 | -93.8 | 149.2 | 0 | 0 | 0 | 106.8 | G399 S403 | G399-L401 PolarHBondContact O-N 3.33Å; G399-L401 VanDerWaalsContact O-N 3.17Å; L401-S403 PolarHBondContact O-N 3.31Å; L401-S403 VanDerWaalsContact O-N 3.07Å | ||
| 402 | Q | 33.7 | Very low | 48.8 | Very low | 163 Ų | 163 | 93.3 Ų | 93.3 | 76% | 0.762 | 52% | 0.523 | S | S | * | . | trans | -59 | 113.8 | 158.1 | -78 | -171.3 | -12.2 | 0 | 0 | 106.7 | E400 F404 | E400-Q402 VanDerWaalsContact C-N 3.33Å; E400-Q402 PolarHBondContact O-N 2.81Å; Q402-F404 PolarHBondContact O-N 3.36Å | ||
| 403 | S | 31.3 | Very low | 47.5 | Very low | 103 Ų | 103 | 96.4 Ų | 96.4 | 72% | 0.72 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35.6 | 133 | 173 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | L401 | L401-S403 PolarHBondContact O-N 3.31Å; L401-S403 VanDerWaalsContact O-N 3.07Å |
| 404 | F | 29.8 | Very low | 46.6 | Very low | 196 Ų | 196 | 96.7 Ų | 96.7 | 86% | 0.86 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.5 | -1.6 | 162.9 | -87.6 | -87.6 | 0 | 0 | 0 | 122.7 | Q402 | Q402-F404 PolarHBondContact O-N 3.36Š|
| 405 | L | 27.6 | Very low | 46.1 | Very low | 147 Ų | 147 | 104 Ų | 104 | 77% | 0.77 | 57% | 0.572 | S | S | * | * | trans | -131.8 | 96.5 | 173.5 | -79.4 | 159 | 0 | 0 | 0 | 112.1 | Y407 | L405-Y407 PolarHBondContact O-N 3.36Š| ||
| 406 | F | 30.6 | Very low | 46.3 | Very low | 185 Ų | 185 | 106.2 Ų | 106.2 | 81% | 0.811 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -65.8 | 10.3 | 175.9 | -112.9 | -86.6 | 0 | 0 | 0 | 114.8 | ||
| 407 | Y | 28.8 | Very low | 47.1 | Very low | 119 Ų | 119 | 106.3 Ų | 106.3 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -144.4 | 126 | -177.8 | -73.5 | -84.1 | 0 | 0 | 0 | 109.7 | S289 W291 L405 | S289-Y407 VanDerWaalsContact O-CE2 3.3Å; S289-Y407 WeakPolarHBondContact O-CE2 3.08Å; W291-Y407 VanDerWaalsContact CD1-OH 3.24Å; W291-Y407 PolarHBondContact NE1-OH 3.3Å; L405-Y407 PolarHBondContact O-N 3.36Å |
| 408 | A | 28.7 | Very low | 48.1 | Very low | 111 Ų | 111 | 105.6 Ų | 105.6 | 92% | 0.917 | 57% | 0.574 | S | S | * | * | trans | 86.3 | 110 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 409 | G | 32.2 | Very low | 49.3 | Very low | 71 Ų | 71 | 101.4 Ų | 101.4 | 73% | 0.732 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 110 | 116 | 134.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 410 | N | 39.7 | Very low | 50.6 | Low | 166 Ų | 166 | 102.1 Ų | 102.1 | 89% | 0.888 | 54% | 0.54 | S | S | * | . | trans | 89.7 | 3.8 | 157.7 | -63.7 | -12.9 | 0 | 0 | 0 | 121.4 | Q412 | N410-Q412 PolarHBondContact O-N 3.19Š| ||
| 411 | G | 44.2 | Very low | 52.2 | Low | 39 Ų | 39 | 98.1 Ų | 98.1 | 40% | 0.402 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -64 | 119.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | N413 | G411-N413 PolarHBondContact O-N 3.09Š|
| 412 | Q | 52 | Low | 53.9 | Low | 161 Ų | 161 | 92.9 Ų | 92.9 | 75% | 0.752 | 49% | 0.494 | S | S | * | . | B | Isolated β-bridge | trans | -74.3 | 116.1 | 173.9 | -79.7 | -170.2 | -8 | 0 | 0 | 108.5 | I398 N410 P414 | I398-Q412 PolarHBondContact N-O 3.48Å; I398-Q412 PolarHBondContact O-N 3.29Å; N410-Q412 PolarHBondContact O-N 3.19Å; Q412-P414 WeakPolarHBondContact O-CD 3.5Å |
| 413 | N | 57.9 | Low | 55.5 | Low | 88 Ų | 88 | 88.8 Ų | 88.8 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 119.5 | 170.7 | -78.7 | -24 | 0 | 0 | 0 | 109.3 | S397 G411 K415 | S397-N413 PolarHBondContact OG-OD1 2.77Å; G411-N413 PolarHBondContact O-N 3.09Å; N413-K415 PolarHBondContact O-N 2.89Å |
| 414 | P | 67.2 | Low | 57 | Low | 8 Ų | 8 | 84.2 Ų | 84.2 | 5% | 0.052 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 136.1 | -179.5 | 24.1 | -31 | 0 | 0 | 0 | 110.1 | L327 G396 I398 Q412 E416 Q418 | L327-P414 WeakPolarHBondContact CD1-O 3.25Å; G396-P414 WeakPolarHBondContact O-CD 3.34Å; G396-P414 WeakPolarHBondContact O-CG 3.42Å; I398-P414 HydrophobicContact CD1-CB 3.61Å; I398-P414 HydrophobicContact CD1-CG 4.21Å; I398-P414 HydrophobicContact CG1-CB 4.03Å; I398-P414 HydrophobicContact CG1-CG 4.08Å; Q412-P414 WeakPolarHBondContact O-CD 3.5Å; P414-E416 WeakPolarHBondContact CB-O 3.06Å; P414-E416 PolarHBondContact O-N 2.98Å; P414-Q418 HydrophobicContact CB-CG 3.85Å; P414-Q418 HydrophobicContact CG-CG 3.79Å |
| 415 | K | 73.7 | Confident | 58.3 | Low | 154 Ų | 154 | 81 Ų | 81 | 67% | 0.67 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -72 | -19.9 | 173.5 | -66 | 179.3 | -176.5 | 171.7 | 0 | 111.9 | H326 L327 N413 | H326-K415 CarbonylContact C-O 3.6Å; H326-K415 WeakPolarHBondContact CA-O 3.25Å; L327-K415 PolarHBondContact N-O 3.42Å; N413-K415 PolarHBondContact O-N 2.89Å |
| 416 | E | 82.2 | Confident | 59.4 | Low | 53 Ų | 53 | 79 Ų | 79 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | B | Isolated β-bridge | trans | -121.6 | 147.9 | -173.3 | -62 | -179 | -148.3 | 0 | 0 | 110.8 | N232 H325 H326 P414 Q418 | N232-E416 VanDerWaalsContact ND2-CD 3.3Å; N232-E416 PolarHBondContact ND2-OE2 3.2Å; H325-E416 IonicContact NE2-OE2 2.93Å; H325-E416 CarbonylContact O-C 3.51Å; H325-E416 WeakPolarHBondContact O-CA 3.22Å; H326-E416 WeakPolarHBondContact CE1-CG 3.27Å; H326-E416 IonicContact CE1-OE1 2.63Å; H326-E416 IonicContact CE1-OE2 2.66Å; H326-E416 VanDerWaalsContact NE2-CD 3.31Å; H326-E416 WeakPolarHBondContact NE2-CG 3.29Å; H326-E416 IonicContact NE2-OE1 2.85Å; H326-E416 PolarHBondContact NE2-OE1 3.24Å; H326-E416 VanDerWaalsContact NE2-OE1 3.15Å; P414-E416 WeakPolarHBondContact CB-O 3.06Å; P414-E416 PolarHBondContact O-N 2.98Å; E416-Q418 PolarHBondContact O-N 3.1Å; E416-Q418 PolarHBondContact O-NE2 2.81Å |
| 417 | L | 85.5 | Confident | 60.2 | Low | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | trans | -55.7 | 129.4 | 174.3 | -179.5 | 67.6 | 0 | 0 | 0 | 110.2 | A233 H238 Q241 H325 G394 W395 | A233-L417 HydrophobicContact CB-CB 4.26Å; A233-L417 HydrophobicContact CB-CD2 4.06Å; A233-L417 HydrophobicContact CB-CG 4.06Å; A233-L417 WeakPolarHBondContact CB-O 3.26Å; A233-L417 PolarHBondContact N-O 3.45Å; H238-L417 HydrophobicContact CB-CD2 4.32Å; Q241-L417 HydrophobicContact CB-CD2 4.35Å; Q241-L417 HydrophobicContact CG-CD1 3.89Å; Q241-L417 HydrophobicContact CG-CD2 4.17Å; H325-L417 PolarHBondContact O-N 3.24Å; G394-L417 WeakPolarHBondContact O-CD1 3.37Å; W395-L417 HydrophobicContact CD2-CD1 3.83Å; W395-L417 HydrophobicContact CE3-CD1 3.95Å; W395-L417 HydrophobicContact CH2-CD1 3.82Å; W395-L417 HydrophobicContact CZ2-CB 4.01Å; W395-L417 HydrophobicContact CZ2-CD1 3.66Å; W395-L417 HydrophobicContact CZ2-CG 4.31Å; W395-L417 HydrophobicContact CZ3-CD1 3.95Å | ||
| 418 | Q | 84.2 | Confident | 61.1 | Low | 24 Ų | 24 | 72.6 Ų | 72.6 | 11% | 0.112 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 148.3 | 175 | -59.3 | -57.6 | -57.4 | 0 | 0 | 110.4 | F231 N232 T393 G394 I398 P414 E416 | F231-Q418 VanDerWaalsContact C-OE1 3.32Å; F231-Q418 PolarHBondContact O-OE1 2.95Å; N232-Q418 PolarHBondContact OD1-NE2 2.9Å; N232-Q418 PolarHBondContact OD1-OE1 2.84Å; T393-Q418 VanDerWaalsContact CA-O 3.3Å; T393-Q418 WeakPolarHBondContact CA-O 3.31Å; G394-Q418 PolarHBondContact N-O 2.66Å; G394-Q418 PolarHBondContact O-N 3.42Å; I398-Q418 HydrophobicContact CD1-CG 4.21Å; I398-Q418 HydrophobicContact CG1-CG 4.44Å; P414-Q418 HydrophobicContact CB-CG 3.85Å; P414-Q418 HydrophobicContact CG-CG 3.79Å; E416-Q418 PolarHBondContact O-N 3.1Å; E416-Q418 PolarHBondContact O-NE2 2.81Å |
| 419 | Q | 81.1 | Confident | 61.9 | Low | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.009 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.3 | 170.2 | 68.9 | 178.1 | -15.3 | 0 | 0 | 111.4 | P217 F231 A233 H238 V392 T393 | P217-Q419 PolarHBondContact O-NE2 2.89Å; P217-Q419 VanDerWaalsContact O-NE2 3.13Å; F231-Q419 HydrophobicContact CD2-CG 3.76Å; F231-Q419 HydrophobicContact CE1-CG 4.36Å; F231-Q419 HydrophobicContact CE2-CG 3.59Å; F231-Q419 HydrophobicContact CG-CG 4.27Å; F231-Q419 HydrophobicContact CZ-CG 3.88Å; F231-Q419 PolarHBondContact N-O 2.92Å; F231-Q419 PolarHBondContact O-N 3.3Å; A233-Q419 HydrophobicContact CB-CB 4.05Å; A233-Q419 HydrophobicContact CB-CG 4.06Å; H238-Q419 PolarHBondContact NE2-OE1 3.09Å; V392-Q419 CarbonylContact O-C 3.55Å; V392-Q419 WeakPolarHBondContact O-CA 3.21Å; T393-Q419 HydrophobicContact CG2-CB 3.71Å |
| 420 | F | 74.2 | Confident | 62.4 | Low | 71 Ų | 71 | 69.6 Ų | 69.6 | 31% | 0.311 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 131.1 | 172.9 | -178.8 | -122.8 | 0 | 0 | 0 | 111 | R229 F391 V392 V422 | R229-F420 HydrophobicContact CB-CD2 4.37Å; R229-F420 HydrophobicContact CB-CE2 3.82Å; R229-F420 WeakPolarHBondContact O-CD2 3.19Å; F391-F420 CarbonylContact C-O 3.59Å; F391-F420 VanDerWaalsContact CA-O 3.3Å; F391-F420 WeakPolarHBondContact CA-O 3.41Å; V392-F420 PolarHBondContact N-O 3.32Å; V392-F420 PolarHBondContact O-N 3.3Å; F420-V422 HydrophobicContact CD1-CG2 3.65Å; F420-V422 HydrophobicContact CE1-CG2 4.03Å |
| 421 | E | 76.5 | Confident | 62.4 | Low | 78 Ų | 78 | 67.5 Ų | 67.5 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.8 | 176.3 | -166.6 | 169.4 | 171.6 | 0 | 0 | 110.8 | R389 C390 F391 | R389-E421 VanDerWaalsContact CB-OE1 3.31Å; R389-E421 WeakPolarHBondContact CB-OE1 3.07Å; R389-E421 WeakPolarHBondContact CG-OE1 3.46Å; R389-E421 IonicContact NE-OE1 3.52Å; R389-E421 IonicContact NE-OE2 3.12Å; C390-E421 CarbonylContact O-C 3.47Å; C390-E421 VanDerWaalsContact O-CA 3.27Å; C390-E421 WeakPolarHBondContact O-CA 3.45Å; F391-E421 HydrophobicContact CD1-CB 4.04Å; F391-E421 HydrophobicContact CD1-CG 4.4Å; F391-E421 HydrophobicContact CE1-CB 3.61Å; F391-E421 HydrophobicContact CE1-CG 3.85Å; F391-E421 HydrophobicContact CZ-CB 4.2Å; F391-E421 HydrophobicContact CZ-CG 3.92Å |
| 422 | V | 71.1 | Confident | 62.4 | Low | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134 | -168.7 | -166.4 | 0 | 0 | 0 | 0 | 110.7 | C390 V392 F420 M424 H442 | C390-V422 PolarHBondContact O-N 3.48Å; V392-V422 HydrophobicContact CB-CG2 4.07Å; V392-V422 HydrophobicContact CG2-CG2 3.47Å; V392-V422 VanDerWaalsContact CG2-CG2 3.47Å; F420-V422 HydrophobicContact CD1-CG2 3.65Å; F420-V422 HydrophobicContact CE1-CG2 4.03Å; V422-M424 HydrophobicContact CG1-SD 4.31Å; V422-H442 HydrophobicContact CG1-CB 3.68Å; V422-H442 WeakPolarHBondContact CG1-CD2 3.34Å; V422-H442 VanDerWaalsContact CG1-ND1 3.3Å; V422-H442 WeakPolarHBondContact CG1-ND1 3.29Å |
| 423 | S | 66.3 | Low | 62 | Low | 78 Ų | 78 | 66.3 Ų | 66.3 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | trans | -96.2 | 103.6 | 172.5 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | Y425 H442 | S423-Y425 WeakPolarHBondContact O-CD2 3.49Å; S423-H442 PolarHBondContact O-CE1 3.08Å; S423-H442 PolarHBondContact O-ND1 3.19Å | ||
| 424 | M | 64.1 | Low | 61.1 | Low | 7 Ų | 7 | 69.2 Ų | 69.2 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | trans | -75.3 | 136.4 | -175.3 | -66.6 | -67.2 | -66.2 | 0 | 0 | 112.9 | F383 V422 L440 H442 L458 F490 | F383-M424 HydrophobicContact CE1-CB 4.02Å; F383-M424 HydrophobicContact CE1-CE 4.04Å; F383-M424 HydrophobicContact CZ-CB 3.59Å; F383-M424 HydrophobicContact CZ-CE 3.63Å; F383-M424 HydrophobicContact CZ-CG 3.87Å; V422-M424 HydrophobicContact CG1-SD 4.31Å; M424-L440 HydrophobicContact CE-CB 3.68Å; M424-L440 HydrophobicContact CE-CD1 4.15Å; M424-L440 HydrophobicContact CE-CG 4.38Å; M424-H442 HydrophobicContact SD-CB 4.42Å; M424-L458 HydrophobicContact CE-CD2 3.69Å; M424-L458 HydrophobicContact SD-CD1 4.2Å; M424-L458 HydrophobicContact SD-CD2 3.7Å; M424-F490 HydrophobicContact SD-CE2 4.47Å | ||
| 425 | Y | 56.5 | Low | 59.9 | Low | 127 Ų | 127 | 75.8 Ų | 75.8 | 50% | 0.498 | 38% | 0.383 | S | S | . | . | trans | -109.7 | 138.7 | 171.5 | -64.4 | -86.6 | 0 | 0 | 0 | 109.8 | S423 G427 | S423-Y425 WeakPolarHBondContact O-CD2 3.49Å; Y425-G427 PolarHBondContact O-N 3.39Å | ||
| 426 | D | 49.9 | Very low | 59 | Low | 106 Ų | 106 | 71.1 Ų | 71.1 | 57% | 0.567 | 36% | 0.364 | S | S | * | . | trans | -78.8 | 61 | 170.1 | -170.3 | 25.6 | 0 | 0 | 0 | 109.9 | P385 | P385-D426 HydrophobicContact CG-CB 3.72Š| ||
| 427 | G | 47.4 | Very low | 58.3 | Low | 21 Ų | 21 | 76 Ų | 76 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | trans | -86.2 | 122.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y425 V429 | Y425-G427 PolarHBondContact O-N 3.39Å; G427-V429 PolarHBondContact O-N 3.2Å | ||
| 428 | K | 48.2 | Very low | 57.6 | Low | 149 Ų | 149 | 77.4 Ų | 77.4 | 65% | 0.648 | 39% | 0.392 | S | S | * | . | trans | -64.4 | 107.2 | 162.8 | -70.5 | 178.3 | -175.8 | 169.6 | 0 | 107.7 | H430 | K428-H430 PolarHBondContact O-CD2 2.04Å; K428-H430 PolarHBondContact O-N 3.46Å; K428-H430 VanDerWaalsContact O-N 3.08Å | ||
| 429 | V | 45.9 | Very low | 57.2 | Low | 28 Ų | 28 | 77.4 Ų | 77.4 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | trans | -53.8 | 116 | 171.6 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | G427 C441 | G427-V429 PolarHBondContact O-N 3.2Å; V429-C441 HydrophobicContact CG2-CB 4.14Å; V429-C441 WeakPolarHBondContact CG2-SG 3.17Å | ||
| 430 | H | 42.8 | Very low | 57 | Low | 91 Ų | 91 | 77.8 Ų | 77.8 | 42% | 0.421 | 39% | 0.394 | S | S | . | . | trans | -108 | 78.8 | 176.1 | -97.3 | -87.7 | 0 | 0 | 0 | 108.3 | K428 K435 S479 | K428-H430 PolarHBondContact O-CD2 2.04Å; K428-H430 PolarHBondContact O-N 3.46Å; K428-H430 VanDerWaalsContact O-N 3.08Å; H430-K435 VanDerWaalsContact CE1-CE 3.45Å; H430-K435 WeakPolarHBondContact CE1-CE 3.46Å; H430-S479 VanDerWaalsContact O-O 3.09Å; H430-S479 PolarHBondContact O-OG 2.81Å | ||
| 431 | Y | 38.9 | Very low | 56.9 | Low | 121 Ų | 121 | 74.9 Ų | 74.9 | 48% | 0.475 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -81.7 | 153.1 | 163.1 | -158.5 | -90.1 | 0 | 0 | 0 | 108.6 | G433 Y434 V478 | Y431-G433 VanDerWaalsContact C-N 3.34Å; Y431-G433 PolarHBondContact O-N 3.01Å; Y431-Y434 PolarHBondContact O-N 3.23Å; Y431-V478 HydrophobicContact CD2-CB 4.01Å; Y431-V478 HydrophobicContact CD2-CG1 3.2Å; Y431-V478 HydrophobicContact CD2-CG2 3.6Å; Y431-V478 HydrophobicContact CE2-CB 4.29Å; Y431-V478 HydrophobicContact CE2-CG1 3.7Å; Y431-V478 HydrophobicContact CE2-CG2 3.54Å; Y431-V478 HydrophobicContact CG-CG1 4.06Å |
| 432 | S | 43.9 | Very low | 56.3 | Low | 99 Ų | 99 | 72.2 Ų | 72.2 | 69% | 0.692 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.2 | 87.9 | 178.5 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 433 | G | 44 | Very low | 55.7 | Low | 76 Ų | 76 | 76.9 Ų | 76.9 | 78% | 0.784 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.1 | -4.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | Y431 | Y431-G433 VanDerWaalsContact C-N 3.34Å; Y431-G433 PolarHBondContact O-N 3.01Å |
| 434 | Y | 39.4 | Very low | 55 | Low | 149 Ų | 149 | 74.7 Ų | 74.7 | 58% | 0.584 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -128.9 | 114.8 | -169.3 | -73.2 | -93.3 | 0 | 0 | 0 | 113.7 | Y431 | Y431-Y434 PolarHBondContact O-N 3.23Å |
| 435 | K | 42.7 | Very low | 54.1 | Low | 147 Ų | 147 | 79.2 Ų | 79.2 | 64% | 0.639 | 39% | 0.393 | S | S | * | . | trans | -100.4 | 92.6 | 169.5 | -77.6 | 178.6 | 178 | 169.6 | 0 | 108.9 | H430 | H430-K435 VanDerWaalsContact CE1-CE 3.45Å; H430-K435 WeakPolarHBondContact CE1-CE 3.46Å | ||
| 436 | E | 55.2 | Low | 53.3 | Low | 56 Ų | 56 | 80.5 Ų | 80.5 | 26% | 0.262 | 41% | 0.408 | S | S | . | . | trans | -105.8 | 132.6 | -177.9 | -70.3 | -162.8 | -177 | 0 | 0 | 113.9 | N438 | E436-N438 VanDerWaalsContact C-N 3.34Š| ||
| 437 | K | 66.3 | Low | 52.9 | Low | 156 Ų | 156 | 77.1 Ų | 77.1 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 0.2 | -176.7 | -61.3 | 179.1 | -179.8 | 174 | 0 | 113.7 | ||
| 438 | N | 71.9 | Confident | 52.5 | Low | 34 Ų | 34 | 77.4 Ų | 77.4 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -3.6 | -170.1 | -67.6 | 0.4 | 0 | 0 | 0 | 114.2 | E436 K492 R495 | E436-N438 VanDerWaalsContact C-N 3.34Å; N438-K492 WeakPolarHBondContact O-CB 3.42Å; N438-K492 PolarHBondContact O-N 2.82Å; N438-R495 PolarHBondContact OD1-NH1 2.93Å |
| 439 | M | 75.4 | Confident | 52.4 | Low | 24 Ų | 24 | 72 Ų | 72 | 12% | 0.118 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 158.4 | -179.8 | -61.9 | -60.3 | -176.6 | 0 | 0 | 110.9 | K352 V489 F490 | K352-M439 WeakPolarHBondContact O-CE 3.47Å; M439-V489 HydrophobicContact CB-CG1 4.04Å; M439-V489 HydrophobicContact CG-CG1 4.19Å; M439-V489 HydrophobicContact SD-CG1 4.23Å; M439-F490 CarbonylContact C-O 3.54Å; M439-F490 WeakPolarHBondContact CA-O 3.38Å |
| 440 | L | 77.6 | Confident | 52.7 | Low | 10 Ų | 10 | 71.6 Ų | 71.6 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.2 | 169.4 | -57.1 | 171 | 0 | 0 | 0 | 108.6 | F383 M424 L458 Y469 F490 K492 | F383-L440 HydrophobicContact CD1-CD2 3.91Å; F383-L440 HydrophobicContact CD2-CD2 4.48Å; F383-L440 HydrophobicContact CE1-CD2 4.12Å; F383-L440 HydrophobicContact CE2-CD1 4.46Å; F383-L440 HydrophobicContact CG-CD2 4.09Å; F383-L440 HydrophobicContact CZ-CD2 4.49Å; M424-L440 HydrophobicContact CE-CB 3.68Å; M424-L440 HydrophobicContact CE-CD1 4.15Å; M424-L440 HydrophobicContact CE-CG 4.38Å; L440-L458 HydrophobicContact CD1-CD2 4.28Å; L440-Y469 WeakPolarHBondContact CD1-O 3.29Å; L440-F490 HydrophobicContact CB-CB 4.31Å; L440-F490 PolarHBondContact N-O 2.7Å; L440-F490 PolarHBondContact O-N 3.45Å; L440-K492 HydrophobicContact CD1-CB 4.45Å; L440-K492 HydrophobicContact CD1-CG 4.28Å; L440-K492 HydrophobicContact CD2-CB 4.45Å; L440-K492 HydrophobicContact CD2-CD 3.89Å; L440-K492 HydrophobicContact CD2-CG 4.08Å; L440-K492 HydrophobicContact CG-CB 4Å; L440-K492 HydrophobicContact CG-CD 4.35Å; L440-K492 HydrophobicContact CG-CG 4.04Å |
| 441 | C | 70.2 | Confident | 53 | Low | 10 Ų | 10 | 75.2 Ų | 75.2 | 7% | 0.068 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 153.2 | 179.8 | -69.7 | 0 | 0 | 0 | 0 | 113.1 | V429 C480 A488 | V429-C441 HydrophobicContact CG2-CB 4.14Å; V429-C441 WeakPolarHBondContact CG2-SG 3.17Å; C441-C480 VanDerWaalsContact SG-SG 3.68Å; C441-A488 VanDerWaalsContact CA-O 3.28Å; C441-A488 WeakPolarHBondContact CA-O 3.36Å |
| 442 | H | 64.4 | Low | 53.8 | Low | 23 Ų | 23 | 69.7 Ų | 69.7 | 11% | 0.106 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.5 | 171.1 | 176 | 72.8 | 0 | 0 | 0 | 110.9 | V422 S423 M424 M444 F487 A488 F490 | V422-H442 HydrophobicContact CG1-CB 3.68Å; V422-H442 WeakPolarHBondContact CG1-CD2 3.34Å; V422-H442 VanDerWaalsContact CG1-ND1 3.3Å; V422-H442 WeakPolarHBondContact CG1-ND1 3.29Å; S423-H442 PolarHBondContact O-CE1 3.08Å; S423-H442 PolarHBondContact O-ND1 3.19Å; M424-H442 HydrophobicContact SD-CB 4.42Å; H442-M444 PolarHBondContact O-N 2.6Å; H442-F487 VanDerWaalsContact O-CA 3.28Å; H442-F487 WeakPolarHBondContact O-CA 3.1Å; H442-F487 WeakPolarHBondContact O-CB 3.47Å; H442-F487 WeakPolarHBondContact O-CD1 3.25Å; H442-A488 PolarHBondContact N-O 3.09Å; H442-A488 PolarHBondContact O-N 3.05Å; H442-F490 HydrophobicContact CB-CE2 4.21Å |
| 443 | R | 59.8 | Low | 54.9 | Low | 102 Ų | 102 | 66.4 Ų | 66.4 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 111.8 | 178.2 | -175.6 | -179.6 | 174.4 | 173.8 | 7.7 | 110 | N445 E485 F487 | R443-N445 PolarHBondContact NE-OD1 2.67Å; R443-E485 IonicContact CZ-OE1 2.64Å; R443-E485 IonicContact CZ-OE2 3.17Å; R443-E485 IonicContact NE-OE1 2.82Å; R443-E485 IonicContact NE-OE2 2.73Å; R443-E485 PolarHBondContact NE-OE2 2.89Å; R443-E485 IonicContact NH2-OE1 2.71Å; R443-E485 PolarHBondContact NH2-OE1 2.68Å; R443-E485 IonicContact NH2-OE2 3.3Å; R443-E485 PolarHBondContact NH2-OE2 3.08Å; R443-F487 VanDerWaalsContact CA-CD1 3.42Å; R443-F487 VanDerWaalsContact CA-CE1 3.49Å; R443-F487 HydrophobicContact CB-CD1 4.09Å; R443-F487 HydrophobicContact CB-CE1 3.6Å; R443-F487 HydrophobicContact CB-CZ 4.25Å; R443-F487 HydrophobicContact CG-CE1 4Å; R443-F487 HydrophobicContact CG-CZ 4.14Å |
| 444 | M | 51.5 | Low | 56.5 | Low | 33 Ų | 33 | 63.8 Ų | 63.8 | 16% | 0.163 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 112.9 | 174.1 | -73 | 173.1 | 140.9 | 0 | 0 | 108.4 | H442 G447 E486 A488 | H442-M444 PolarHBondContact O-N 2.6Å; M444-G447 VanDerWaalsContact CE-O 3.24Å; M444-G447 WeakPolarHBondContact CE-O 3.06Å; M444-G447 VanDerWaalsContact SD-O 3.41Å; M444-E486 WeakPolarHBondContact CA-O 3.09Å; M444-E486 HydrophobicContact CB-CB 4.05Å; M444-E486 WeakPolarHBondContact CB-O 3.35Å; M444-E486 PolarHBondContact N-O 2.85Å; M444-E486 VanDerWaalsContact O-O 3.09Å; M444-A488 HydrophobicContact CE-CB 3.42Å; M444-A488 VanDerWaalsContact CE-CB 3.42Å; M444-A488 HydrophobicContact CG-CB 4.02Å; M444-A488 HydrophobicContact SD-CB 3.6Å; M444-A488 VanDerWaalsContact SD-CB 3.6Å; M444-A488 PolarHBondContact SD-N 3.37Å; M444-A488 VanDerWaalsContact SD-N 3.43Å |
| 445 | N | 44.6 | Very low | 58.6 | Low | 101 Ų | 101 | 56.7 Ų | 56.7 | 54% | 0.54 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -87.7 | 8.4 | 179.4 | -109.3 | 19.7 | 0 | 0 | 0 | 114 | R443 E485 | R443-N445 PolarHBondContact NE-OD1 2.67Å; N445-E485 PolarHBondContact OD1-OE2 3.14Å |
| 446 | L | 40.1 | Very low | 60.8 | Low | 155 Ų | 155 | 49.7 Ų | 49.7 | 81% | 0.812 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 165 | 64.3 | 172.7 | -91.3 | 147.2 | 0 | 0 | 0 | 112.4 | ||
| 447 | G | 40.7 | Very low | 62.5 | Low | 35 Ų | 35 | 47 Ų | 47 | 36% | 0.361 | 25% | 0.252 | S | S | . | . | trans | 144.1 | 124.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | M444 E486 | M444-G447 VanDerWaalsContact CE-O 3.24Å; M444-G447 WeakPolarHBondContact CE-O 3.06Å; M444-G447 VanDerWaalsContact SD-O 3.41Å; G447-E486 PolarHBondContact N-OE2 3.19Å | ||
| 448 | G | 39.5 | Very low | 63.6 | Low | 26 Ų | 26 | 39.6 Ų | 39.6 | 27% | 0.268 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -80.1 | 168.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A450 | G448-A450 PolarHBondContact O-N 3.17Š|
| 449 | S | 46.2 | Very low | 64.5 | Low | 35 Ų | 35 | 38 Ų | 38 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -64 | 123.3 | 166.6 | 51.9 | 0 | 0 | 0 | 0 | 110.3 | S475 | S449-S475 PolarHBondContact N-OG 3.5Å; S449-S475 VanDerWaalsContact N-OG 3.09Å; S449-S475 PolarHBondContact OG-OG 2.62Å |
| 450 | A | 51 | Low | 65.1 | Low | 20 Ų | 20 | 36.9 Ų | 36.9 | 17% | 0.165 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -94.5 | 171.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G448 G452 D453 | G448-A450 PolarHBondContact O-N 3.17Å; A450-G452 PolarHBondContact O-N 2.69Å; A450-G452 VanDerWaalsContact O-N 3.1Å; A450-D453 PolarHBondContact N-OD2 2.72Å; A450-D453 PolarHBondContact O-N 2.8Å; A450-D453 VanDerWaalsContact O-N 3.13Å |
| 451 | E | 50.6 | Low | 65.4 | Low | 168 Ų | 168 | 38.5 Ų | 38.5 | 79% | 0.785 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 114 | 171.4 | -76.2 | -172.9 | 166.9 | 0 | 0 | 110.8 | G396 | G396-E451 VanDerWaalsContact CA-O 3.27Å; G396-E451 WeakPolarHBondContact CA-O 3.31Å |
| 452 | G | 54 | Low | 65.8 | Low | 4 Ų | 4 | 40.1 Ų | 40.1 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 117.7 | -12.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W395 A450 | W395-G452 PolarHBondContact N-O 3.3Å; A450-G452 PolarHBondContact O-N 2.69Å; A450-G452 VanDerWaalsContact O-N 3.1Å |
| 453 | D | 67.2 | Low | 66.2 | Low | 30 Ų | 30 | 45.5 Ų | 45.5 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -29.9 | 174.5 | -60.9 | -34.1 | 0 | 0 | 0 | 112.6 | G394 G396 A450 G455 G456 I472 | G394-D453 VanDerWaalsContact CA-OD1 3.3Å; G394-D453 WeakPolarHBondContact CA-OD1 3.3Å; G396-D453 VanDerWaalsContact CA-OD1 3.29Å; G396-D453 WeakPolarHBondContact CA-OD1 3.11Å; G396-D453 PolarHBondContact N-OD1 2.94Å; A450-D453 PolarHBondContact N-OD2 2.72Å; A450-D453 PolarHBondContact O-N 2.8Å; A450-D453 VanDerWaalsContact O-N 3.13Å; D453-G455 PolarHBondContact O-N 3.33Å; D453-G456 PolarHBondContact O-N 2.88Å; D453-I472 HydrophobicContact CB-CD1 4.37Å; D453-I472 WeakPolarHBondContact O-CD1 3.25Å |
| 454 | S | 77.2 | Confident | 66.8 | Low | 22 Ų | 22 | 47 Ų | 47 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 131.9 | 178.5 | -74.4 | 0 | 0 | 0 | 0 | 112.8 | G256 H276 C277 G456 | G256-S454 PolarHBondContact N-O 3.35Å; H276-S454 PolarHBondContact CE1-OG 3.29Å; H276-S454 WeakPolarHBondContact NE2-CB 3.43Å; H276-S454 PolarHBondContact NE2-OG 2.8Å; H276-S454 VanDerWaalsContact NE2-OG 3.08Å; C277-S454 PolarHBondContact SG-O 3.04Å; S454-G456 VanDerWaalsContact C-N 3.27Å; S454-G456 PolarHBondContact O-N 3.42Å |
| 455 | G | 84.5 | Confident | 68.2 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -7.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | G256 G257 D453 I472 | G256-G455 VanDerWaalsContact C-C 3.42Å; G256-G455 CarbonylContact C-O 3.55Å; G256-G455 CarbonylContact O-C 3.31Å; G256-G455 WeakPolarHBondContact O-CA 3.4Å; G257-G455 WeakPolarHBondContact CA-O 3.33Å; D453-G455 PolarHBondContact O-N 3.33Å; G455-I472 PolarHBondContact N-O 2.71Å |
| 456 | G | 87.9 | Confident | 70.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -69.2 | 166.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D453 S454 I472 | D453-G456 PolarHBondContact O-N 2.88Å; S454-G456 VanDerWaalsContact C-N 3.27Å; S454-G456 PolarHBondContact O-N 3.42Å; G456-I472 WeakPolarHBondContact O-CG1 3.2Å; G456-I472 PolarHBondContact O-N 3.34Å | ||
| 457 | P | 92 | Very high | 72.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 143.4 | -175.9 | 28.9 | -32.3 | 0 | 0 | 0 | 113.6 | Q241 S258 T393 L468 | Q241-P457 VanDerWaalsContact OE1-CG 3.32Å; S258-P457 VanDerWaalsContact OG-CB 3.31Å; S258-P457 WeakPolarHBondContact OG-CB 3.39Å; T393-P457 WeakPolarHBondContact OG1-CG 3.1Å; P457-L468 HydrophobicContact CB-CD1 3.44Å; P457-L468 VanDerWaalsContact CB-CD1 3.44Å |
| 458 | L | 89.5 | Confident | 75 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 95.9 | 150.4 | 175.7 | 69.5 | 0 | 0 | 0 | 108.1 | C390 V392 M424 L440 Y469 G470 F490 | C390-L458 HydrophobicContact CB-CD1 4.13Å; V392-L458 HydrophobicContact CG2-CD1 3.6Å; M424-L458 HydrophobicContact CE-CD2 3.69Å; M424-L458 HydrophobicContact SD-CD1 4.2Å; M424-L458 HydrophobicContact SD-CD2 3.7Å; L440-L458 HydrophobicContact CD1-CD2 4.28Å; L458-Y469 PolarHBondContact O-N 3.13Å; L458-G470 PolarHBondContact N-O 3.03Å; L458-F490 HydrophobicContact CB-CD1 3.92Å; L458-F490 HydrophobicContact CB-CE1 4.15Å; L458-F490 HydrophobicContact CB-CG 4.45Å; L458-F490 HydrophobicContact CD1-CE1 4.35Å; L458-F490 HydrophobicContact CD1-CZ 4.34Å; L458-F490 HydrophobicContact CD2-CB 4.49Å; L458-F490 HydrophobicContact CD2-CD1 4.29Å; L458-F490 HydrophobicContact CD2-CD2 4.11Å; L458-F490 HydrophobicContact CD2-CE2 4.42Å; L458-F490 HydrophobicContact CD2-CG 4.05Å |
| 459 | A | 89.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 115.2 | -176 | 0 | 0 | 0 | 0 | 0 | 110.6 | W240 I374 C390 F391 Y466 | W240-A459 HydrophobicContact CZ2-CB 4.35Å; I374-A459 HydrophobicContact CD1-CB 3.45Å; I374-A459 VanDerWaalsContact CD1-CB 3.45Å; C390-A459 CarbonylContact C-O 3.59Å; C390-A459 WeakPolarHBondContact CA-O 3.46Å; F391-A459 PolarHBondContact N-O 3.09Å; F391-A459 PolarHBondContact O-N 3.18Å; A459-Y466 HydrophobicContact CB-CD1 4.25Å |
| 460 | C | 88.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.8 | 179.1 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | C390 K462 Y466 V467 Y469 | C390-C460 HydrophobicContact CB-CB 4.05Å; C390-C460 WeakPolarHBondContact CB-SG 3.46Å; C390-C460 WeakPolarHBondContact SG-CB 3.29Å; C390-C460 CovalentContact SG-SG 2.04Å; C390-C460 PolarHBondContact SG-SG 3.38Å; C460-K462 PolarHBondContact O-N 3.24Å; C460-Y466 WeakPolarHBondContact O-CA 3.31Å; C460-V467 PolarHBondContact N-O 2.96Å; C460-V467 PolarHBondContact O-N 2.61Å; C460-Y469 HydrophobicContact CB-CD2 3.56Å; C460-Y469 HydrophobicContact CB-CE2 3.77Å |
| 461 | L | 85 | Confident | 81.1 | Confident | 44 Ų | 44 | 30.7 Ų | 30.7 | 23% | 0.23 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 117.1 | 174.2 | -173.3 | 65.3 | 0 | 0 | 0 | 110.4 | R389 Y466 | R389-L461 HydrophobicContact CB-CB 4.44Å; R389-L461 PolarHBondContact O-N 3.49Å; L461-Y466 HydrophobicContact CB-CD1 4.23Å; L461-Y466 HydrophobicContact CB-CE1 3.81Å; L461-Y466 HydrophobicContact CD1-CD2 4.03Å; L461-Y466 HydrophobicContact CD1-CE1 4.35Å; L461-Y466 HydrophobicContact CD1-CE2 3.8Å; L461-Y466 HydrophobicContact CD1-CG 4.45Å |
| 462 | K | 78.8 | Confident | 82.8 | Confident | 45 Ų | 45 | 23 Ų | 23 | 20% | 0.196 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128 | 174.6 | 176 | -174.5 | -176 | 170.3 | 0 | 109.3 | E381 Y386 C460 D464 K465 V467 Y469 | E381-K462 IonicContact OE1-NZ 2.9Å; E381-K462 PolarHBondContact OE1-NZ 2.83Å; E381-K462 IonicContact OE2-NZ 2.76Å; E381-K462 PolarHBondContact OE2-NZ 2.87Å; Y386-K462 HydrophobicContact CE1-CB 4.16Å; Y386-K462 HydrophobicContact CE1-CG 4.25Å; Y386-K462 WeakPolarHBondContact OH-CD 3.25Å; Y386-K462 WeakPolarHBondContact OH-CE 3.31Å; Y386-K462 WeakPolarHBondContact OH-CG 3.35Å; C460-K462 PolarHBondContact O-N 3.24Å; K462-D464 VanDerWaalsContact C-N 3.27Å; K462-D464 PolarHBondContact O-N 3.24Å; K462-K465 PolarHBondContact N-O 2.88Å; K462-K465 PolarHBondContact O-N 2.73Å; K462-V467 HydrophobicContact CB-CG2 4.21Å; K462-Y469 WeakPolarHBondContact CD-OH 3.35Å |
| 463 | D | 73 | Confident | 83.9 | Confident | 135 Ų | 135 | 22.9 Ų | 22.9 | 72% | 0.722 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 45.6 | 176 | -52.6 | -37.8 | 0 | 0 | 0 | 112.9 | K465 | D463-K465 VanDerWaalsContact C-N 3.25Å; D463-K465 PolarHBondContact O-N 2.82Å |
| 464 | D | 71.9 | Confident | 83.9 | Confident | 133 Ų | 133 | 23.3 Ų | 23.3 | 71% | 0.711 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 28.4 | -175.7 | -61.6 | -32 | 0 | 0 | 0 | 115.2 | K462 | K462-D464 VanDerWaalsContact C-N 3.27Å; K462-D464 PolarHBondContact O-N 3.24Å |
| 465 | K | 80 | Confident | 82.9 | Confident | 35 Ų | 35 | 23.8 Ų | 23.8 | 15% | 0.152 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 144.1 | 173 | -60 | 174.8 | -167 | 165.8 | 0 | 111.1 | K207 K212 K462 D463 | K207-K465 WeakPolarHBondContact O-CD 3.25Å; K207-K465 WeakPolarHBondContact O-CE 3.48Å; K207-K465 PolarHBondContact O-NZ 3.43Å; K212-K465 HydrophobicContact CG-CG 4.17Å; K462-K465 PolarHBondContact N-O 2.88Å; K462-K465 PolarHBondContact O-N 2.73Å; D463-K465 VanDerWaalsContact C-N 3.25Å; D463-K465 PolarHBondContact O-N 2.82Å |
| 466 | Y | 88.2 | Confident | 81.3 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 127.6 | 171.2 | -73.3 | -86 | 0 | 0 | 0 | 110.6 | G211 P213 P217 W240 I374 C375 F391 A459 C460 L461 | G211-Y466 PolarHBondContact O-N 2.98Å; P213-Y466 HydrophobicContact CG-CD2 4.12Å; P213-Y466 HydrophobicContact CG-CE2 4Å; P217-Y466 HydrophobicContact CG-CE2 4.19Å; P217-Y466 WeakPolarHBondContact CG-OH 3.5Å; W240-Y466 VanDerWaalsContact CH2-CB 3.45Å; W240-Y466 HydrophobicContact CH2-CD1 4.43Å; W240-Y466 AromaticContact CH2-CD2 3.51Å; W240-Y466 HydrophobicContact CH2-CD2 3.51Å; W240-Y466 HydrophobicContact CH2-CE2 4.37Å; W240-Y466 AromaticContact CH2-CG 3.53Å; W240-Y466 HydrophobicContact CH2-CG 3.53Å; W240-Y466 HydrophobicContact CZ2-CD1 4.3Å; W240-Y466 HydrophobicContact CZ2-CD2 4.16Å; W240-Y466 AromaticContact CZ2-CG 3.79Å; W240-Y466 HydrophobicContact CZ2-CG 3.79Å; W240-Y466 HydrophobicContact CZ3-CD2 4.45Å; I374-Y466 VanDerWaalsContact CG1-O 3.24Å; I374-Y466 WeakPolarHBondContact CG1-O 3.49Å; C375-Y466 PolarHBondContact N-O 3.02Å; F391-Y466 AromaticContact CD2-CE1 3.83Å; F391-Y466 HydrophobicContact CD2-CE1 3.83Å; F391-Y466 HydrophobicContact CE2-CE1 4.11Å; A459-Y466 HydrophobicContact CB-CD1 4.25Å; C460-Y466 WeakPolarHBondContact O-CA 3.31Å; L461-Y466 HydrophobicContact CB-CD1 4.23Å; L461-Y466 HydrophobicContact CB-CE1 3.81Å; L461-Y466 HydrophobicContact CD1-CD2 4.03Å; L461-Y466 HydrophobicContact CD1-CE1 4.35Å; L461-Y466 HydrophobicContact CD1-CE2 3.8Å; L461-Y466 HydrophobicContact CD1-CG 4.45Å |
| 467 | V | 89 | Confident | 79.2 | Confident | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.7 | -179.6 | -179.4 | 0 | 0 | 0 | 0 | 109.4 | C375 P377 C460 K462 Y469 | C375-V467 HydrophobicContact CB-CG2 4.21Å; C375-V467 WeakPolarHBondContact O-CA 3.17Å; P377-V467 HydrophobicContact CB-CG1 3.92Å; P377-V467 HydrophobicContact CG-CG1 4.5Å; C460-V467 PolarHBondContact N-O 2.96Å; C460-V467 PolarHBondContact O-N 2.61Å; K462-V467 HydrophobicContact CB-CG2 4.21Å; V467-Y469 HydrophobicContact CB-CD2 4.16Å; V467-Y469 HydrophobicContact CB-CE2 3.71Å; V467-Y469 HydrophobicContact CG1-CD2 4.13Å; V467-Y469 HydrophobicContact CG1-CE2 3.78Å; V467-Y469 WeakPolarHBondContact O-CD2 3.4Å; V467-Y469 PolarHBondContact O-N 2.85Å |
| 468 | L | 91.6 | Very high | 76.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 96.4 | 179.7 | -174.3 | 66.9 | 0 | 0 | 0 | 111.1 | I260 L272 I374 C375 L376 P377 P457 G470 V493 | I260-L468 HydrophobicContact CG2-CD2 3.88Å; L272-L468 HydrophobicContact CD1-CD2 3.95Å; I374-L468 HydrophobicContact CD1-CB 3.98Å; I374-L468 HydrophobicContact CD1-CD1 4.4Å; I374-L468 HydrophobicContact CG1-CB 4.24Å; I374-L468 HydrophobicContact CG2-CB 3.76Å; I374-L468 HydrophobicContact CG2-CD2 4.13Å; I374-L468 HydrophobicContact CG2-CG 4.36Å; C375-L468 PolarHBondContact O-N 3.46Å; L376-L468 HydrophobicContact CD2-CD2 4.33Å; P377-L468 VanDerWaalsContact CD-O 3.24Å; P377-L468 WeakPolarHBondContact CD-O 3.43Å; P457-L468 HydrophobicContact CB-CD1 3.44Å; P457-L468 VanDerWaalsContact CB-CD1 3.44Å; L468-G470 WeakPolarHBondContact CD1-O 3.3Å; L468-V493 HydrophobicContact CD2-CG2 4.39Å; L468-V493 HydrophobicContact CG-CG2 4.16Å; L468-V493 WeakPolarHBondContact O-CB 3.45Å |
| 469 | Y | 88.3 | Confident | 74.7 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -28.9 | -179.7 | -80.1 | -83.5 | 0 | 0 | 0 | 113.7 | P377 E381 F383 L440 L458 C460 K462 V467 V493 | P377-Y469 HydrophobicContact CB-CD1 4.4Å; P377-Y469 HydrophobicContact CB-CE1 4.18Å; E381-Y469 PolarHBondContact OE1-OH 3.34Å; F383-Y469 AromaticContact CD2-CD1 3.68Å; F383-Y469 HydrophobicContact CD2-CD1 3.68Å; F383-Y469 HydrophobicContact CD2-CE1 4.02Å; F383-Y469 HydrophobicContact CD2-CG 4.34Å; F383-Y469 AromaticContact CE2-CD1 3.96Å; F383-Y469 HydrophobicContact CE2-CD1 3.96Å; F383-Y469 HydrophobicContact CE2-CE1 4.47Å; F383-Y469 HydrophobicContact CE2-CG 4.16Å; L440-Y469 WeakPolarHBondContact CD1-O 3.29Å; L458-Y469 PolarHBondContact O-N 3.13Å; C460-Y469 HydrophobicContact CB-CD2 3.56Å; C460-Y469 HydrophobicContact CB-CE2 3.77Å; K462-Y469 WeakPolarHBondContact CD-OH 3.35Å; V467-Y469 HydrophobicContact CB-CD2 4.16Å; V467-Y469 HydrophobicContact CB-CE2 3.71Å; V467-Y469 HydrophobicContact CG1-CD2 4.13Å; V467-Y469 HydrophobicContact CG1-CE2 3.78Å; V467-Y469 WeakPolarHBondContact O-CD2 3.4Å; V467-Y469 PolarHBondContact O-N 2.85Å; Y469-V493 PolarHBondContact O-N 2.77Å; Y469-V493 VanDerWaalsContact O-N 3.1Å |
| 470 | G | 88 | Confident | 72.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 157.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L458 L468 T491 | L458-G470 PolarHBondContact N-O 3.03Å; L468-G470 WeakPolarHBondContact CD1-O 3.3Å; G470-T491 VanDerWaalsContact CA-O 3.24Å; G470-T491 WeakPolarHBondContact CA-O 3.43Å |
| 471 | I | 88.2 | Confident | 70.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.5 | 170.4 | -61.6 | 168.5 | 0 | 0 | 0 | 107.3 | L272 A274 I356 S473 F490 T491 V493 | L272-I471 HydrophobicContact CB-CD1 3.88Å; L272-I471 HydrophobicContact CD1-CD1 4.27Å; A274-I471 HydrophobicContact CB-CG2 4.36Å; I356-I471 HydrophobicContact CB-CD1 4.32Å; I356-I471 HydrophobicContact CD1-CD1 3.49Å; I356-I471 VanDerWaalsContact CD1-CD1 3.49Å; I356-I471 HydrophobicContact CG1-CD1 3.54Å; I471-S473 PolarHBondContact O-N 3.23Å; I471-F490 CarbonylContact O-C 3.48Å; I471-F490 WeakPolarHBondContact O-CA 3.4Å; I471-T491 PolarHBondContact N-O 2.89Å; I471-T491 VanDerWaalsContact N-O 3.17Å; I471-T491 PolarHBondContact O-N 2.81Å; I471-V493 HydrophobicContact CD1-CG2 4.17Å; I471-V493 HydrophobicContact CG1-CG2 3.93Å |
| 472 | I | 85.5 | Confident | 68.4 | Low | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 122.1 | -178.9 | -61.7 | 158.4 | 0 | 0 | 0 | 109.4 | V392 D453 G455 G456 F490 | V392-I472 HydrophobicContact CG1-CD1 3.48Å; V392-I472 VanDerWaalsContact CG1-CD1 3.48Å; V392-I472 HydrophobicContact CG1-CG1 4.03Å; D453-I472 HydrophobicContact CB-CD1 4.37Å; D453-I472 WeakPolarHBondContact O-CD1 3.25Å; G455-I472 PolarHBondContact N-O 2.71Å; G456-I472 WeakPolarHBondContact O-CG1 3.2Å; G456-I472 PolarHBondContact O-N 3.34Å; I472-F490 HydrophobicContact CB-CD1 4.48Å; I472-F490 HydrophobicContact CG1-CD1 3.9Å; I472-F490 HydrophobicContact CG1-CE1 3.76Å |
| 473 | S | 77.6 | Confident | 66.7 | Low | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -64.7 | -175 | -177.1 | 0 | 0 | 0 | 0 | 112.4 | H276 D355 I471 V489 | H276-S473 PolarHBondContact CE1-O 3.41Å; D355-S473 WeakPolarHBondContact CB-OG 3.21Å; D355-S473 WeakPolarHBondContact OD2-CA 3.38Å; D355-S473 WeakPolarHBondContact OD2-CB 3.43Å; D355-S473 PolarHBondContact OD2-OG 3.03Å; I471-S473 PolarHBondContact O-N 3.23Å; S473-V489 PolarHBondContact N-O 2.97Å |
| 474 | F | 68.3 | Low | 65 | Low | 40 Ų | 40 | 56.1 Ų | 56.1 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 168.7 | 178.8 | 62.6 | -82.8 | 0 | 0 | 0 | 113.2 | K352 V476 V489 | K352-F474 HydrophobicContact CB-CD1 3.83Å; K352-F474 HydrophobicContact CB-CE1 3.56Å; K352-F474 HydrophobicContact CB-CZ 4.35Å; K352-F474 HydrophobicContact CD-CB 3.92Å; K352-F474 HydrophobicContact CD-CD1 3.35Å; K352-F474 HydrophobicContact CD-CD2 4.46Å; K352-F474 HydrophobicContact CD-CE1 3.92Å; K352-F474 HydrophobicContact CD-CG 3.68Å; K352-F474 HydrophobicContact CG-CD1 4.17Å; K352-F474 HydrophobicContact CG-CE1 4.27Å; F474-V476 HydrophobicContact CD2-CB 4.26Å; F474-V476 HydrophobicContact CD2-CG1 3.69Å; F474-V476 HydrophobicContact CD2-CG2 3.72Å; F474-V476 HydrophobicContact CE2-CB 4.24Å; F474-V476 HydrophobicContact CE2-CG1 3.8Å; F474-V476 HydrophobicContact CE2-CG2 3.41Å; F474-V476 VanDerWaalsContact CE2-CG2 3.41Å; F474-V489 HydrophobicContact CD1-CB 4.24Å; F474-V489 HydrophobicContact CD1-CG1 4.46Å; F474-V489 HydrophobicContact CD2-CB 4.45Å; F474-V489 HydrophobicContact CD2-CG2 4.19Å; F474-V489 HydrophobicContact CE1-CB 4.06Å; F474-V489 HydrophobicContact CE1-CG1 3.88Å; F474-V489 HydrophobicContact CE1-CG2 4.44Å; F474-V489 HydrophobicContact CE2-CB 4.32Å; F474-V489 HydrophobicContact CE2-CG2 3.87Å; F474-V489 HydrophobicContact CG-CB 4.43Å; F474-V489 HydrophobicContact CZ-CB 4.11Å; F474-V489 HydrophobicContact CZ-CG1 4.01Å; F474-V489 HydrophobicContact CZ-CG2 4Å; F474-V489 PolarHBondContact N-O 3.05Å; F474-V489 WeakPolarHBondContact O-CB 3.37Å; F474-V489 PolarHBondContact O-N 2.96Å |
| 475 | S | 55.8 | Low | 63.8 | Low | 32 Ų | 32 | 52.2 Ų | 52.2 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.7 | 169.5 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | S449 F487 | S449-S475 PolarHBondContact N-OG 3.5Å; S449-S475 VanDerWaalsContact N-OG 3.09Å; S449-S475 PolarHBondContact OG-OG 2.62Å; S475-F487 WeakPolarHBondContact CA-O 2.92Å |
| 476 | V | 51.5 | Low | 62.4 | Low | 50 Ų | 50 | 54.3 Ų | 54.3 | 30% | 0.303 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146.6 | -178.8 | -87.9 | 0 | 0 | 0 | 0 | 110.8 | F474 V478 F487 V489 | F474-V476 HydrophobicContact CD2-CB 4.26Å; F474-V476 HydrophobicContact CD2-CG1 3.69Å; F474-V476 HydrophobicContact CD2-CG2 3.72Å; F474-V476 HydrophobicContact CE2-CB 4.24Å; F474-V476 HydrophobicContact CE2-CG1 3.8Å; F474-V476 HydrophobicContact CE2-CG2 3.41Å; F474-V476 VanDerWaalsContact CE2-CG2 3.41Å; V476-V478 HydrophobicContact CB-CG2 3.46Å; V476-V478 VanDerWaalsContact CB-CG2 3.46Å; V476-V478 HydrophobicContact CG2-CG2 3.28Å; V476-V478 PolarHBondContact O-N 2.73Å; V476-V478 VanDerWaalsContact O-N 3.11Å; V476-F487 PolarHBondContact N-O 3.39Å; V476-F487 PolarHBondContact O-N 3Å; V476-V489 HydrophobicContact CG2-CG2 4.19Å |
| 477 | D | 42.2 | Very low | 61 | Low | 122 Ų | 122 | 54.5 Ų | 54.5 | 65% | 0.652 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 92.7 | 165.9 | -103.1 | -29.6 | 0 | 0 | 0 | 109.3 | ||
| 478 | V | 45.2 | Very low | 60 | Low | 18 Ų | 18 | 54.3 Ų | 54.3 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | trans | -148.9 | 139.4 | 179.6 | -153 | 0 | 0 | 0 | 0 | 111.6 | Y431 V476 C480 F487 | Y431-V478 HydrophobicContact CD2-CB 4.01Å; Y431-V478 HydrophobicContact CD2-CG1 3.2Å; Y431-V478 HydrophobicContact CD2-CG2 3.6Å; Y431-V478 HydrophobicContact CE2-CB 4.29Å; Y431-V478 HydrophobicContact CE2-CG1 3.7Å; Y431-V478 HydrophobicContact CE2-CG2 3.54Å; Y431-V478 HydrophobicContact CG-CG1 4.06Å; V476-V478 HydrophobicContact CB-CG2 3.46Å; V476-V478 VanDerWaalsContact CB-CG2 3.46Å; V476-V478 HydrophobicContact CG2-CG2 3.28Å; V476-V478 PolarHBondContact O-N 2.73Å; V476-V478 VanDerWaalsContact O-N 3.11Å; V478-C480 VanDerWaalsContact C-N 3.29Å; V478-C480 PolarHBondContact O-N 2.64Å; V478-F487 WeakPolarHBondContact O-CD2 3.41Å; V478-F487 WeakPolarHBondContact O-CE2 3.2Å | ||
| 479 | S | 43 | Very low | 59.2 | Low | 47 Ų | 47 | 54.7 Ų | 54.7 | 33% | 0.329 | 27% | 0.269 | S | S | . | . | trans | -61.7 | 76.7 | 168.6 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | H430 L481 H483 | H430-S479 VanDerWaalsContact O-O 3.09Å; H430-S479 PolarHBondContact O-OG 2.81Å; S479-L481 PolarHBondContact O-N 2.64Å; S479-H483 WeakPolarHBondContact CA-O 3.36Å | ||
| 480 | C | 42.4 | Very low | 58.9 | Low | 7 Ų | 7 | 54.6 Ų | 54.6 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.1 | 168.2 | -92.2 | 0 | 0 | 0 | 0 | 112.1 | C441 V478 F487 | C441-C480 VanDerWaalsContact SG-SG 3.68Å; V478-C480 VanDerWaalsContact C-N 3.29Å; V478-C480 PolarHBondContact O-N 2.64Å; C480-F487 HydrophobicContact CB-CD1 3.49Å; C480-F487 VanDerWaalsContact CB-CD1 3.49Å; C480-F487 HydrophobicContact CB-CD2 3.86Å; C480-F487 HydrophobicContact CB-CE1 3.47Å; C480-F487 VanDerWaalsContact CB-CE1 3.47Å; C480-F487 HydrophobicContact CB-CE2 3.83Å; C480-F487 HydrophobicContact CB-CG 3.73Å; C480-F487 HydrophobicContact CB-CZ 3.66Å |
| 481 | L | 44.3 | Very low | 58.8 | Low | 100 Ų | 100 | 54.6 Ų | 54.6 | 52% | 0.524 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -154.6 | 76.4 | 172.8 | -73.4 | 171.3 | 0 | 0 | 0 | 110 | S479 H483 | S479-L481 PolarHBondContact O-N 2.64Å; L481-H483 PolarHBondContact O-CD2 3.14Å; L481-H483 PolarHBondContact O-N 3.35Å |
| 482 | R | 44 | Very low | 58.8 | Low | 244 Ų | 244 | 56 Ų | 56 | 92% | 0.921 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 48.5 | 9.6 | 171.1 | -91.8 | -172.4 | -172.2 | -178.8 | 2.2 | 119.4 | ||
| 483 | H | 42 | Very low | 58.9 | Low | 127 Ų | 127 | 55.7 Ų | 55.7 | 59% | 0.588 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -120.4 | 131.6 | 172.1 | -72.6 | -81.7 | 0 | 0 | 0 | 108.8 | S479 L481 E485 | S479-H483 WeakPolarHBondContact CA-O 3.36Å; L481-H483 PolarHBondContact O-CD2 3.14Å; L481-H483 PolarHBondContact O-N 3.35Å; H483-E485 HydrophobicContact CB-CG 4.46Å; H483-E485 PolarHBondContact O-N 3.48Å; H483-E485 VanDerWaalsContact O-N 3.07Å |
| 484 | M | 39.2 | Very low | 59.3 | Low | 187 Ų | 187 | 56.3 Ų | 56.3 | 92% | 0.921 | 28% | 0.277 | S | S | * | . | trans | -70.2 | 92.7 | 173.5 | -77.5 | -171.5 | 174 | 0 | 0 | 108.6 | ||||
| 485 | E | 46.4 | Very low | 59.9 | Low | 52 Ų | 52 | 59.8 Ų | 59.8 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | trans | -146.3 | 159.9 | 176.2 | -63.9 | -176.2 | -176.1 | 0 | 0 | 109.3 | R443 N445 H483 F487 | R443-E485 IonicContact CZ-OE1 2.64Å; R443-E485 IonicContact CZ-OE2 3.17Å; R443-E485 IonicContact NE-OE1 2.82Å; R443-E485 IonicContact NE-OE2 2.73Å; R443-E485 PolarHBondContact NE-OE2 2.89Å; R443-E485 IonicContact NH2-OE1 2.71Å; R443-E485 PolarHBondContact NH2-OE1 2.68Å; R443-E485 IonicContact NH2-OE2 3.3Å; R443-E485 PolarHBondContact NH2-OE2 3.08Å; N445-E485 PolarHBondContact OD1-OE2 3.14Å; H483-E485 HydrophobicContact CB-CG 4.46Å; H483-E485 PolarHBondContact O-N 3.48Å; H483-E485 VanDerWaalsContact O-N 3.07Å; E485-F487 HydrophobicContact CB-CE2 4.22Å; E485-F487 WeakPolarHBondContact O-CD2 3.06Å; E485-F487 VanDerWaalsContact O-CE2 3.27Å; E485-F487 WeakPolarHBondContact O-CE2 2.91Å | ||
| 486 | E | 50.7 | Low | 61.1 | Low | 79 Ų | 79 | 58.9 Ų | 58.9 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 140.2 | 179.4 | -66 | 178.8 | 163.9 | 0 | 0 | 110.9 | M444 G447 | M444-E486 WeakPolarHBondContact CA-O 3.09Å; M444-E486 HydrophobicContact CB-CB 4.05Å; M444-E486 WeakPolarHBondContact CB-O 3.35Å; M444-E486 PolarHBondContact N-O 2.85Å; M444-E486 VanDerWaalsContact O-O 3.09Å; G447-E486 PolarHBondContact N-OE2 3.19Å |
| 487 | F | 58.1 | Low | 62.5 | Low | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.5 | 174.4 | -69.1 | -100.9 | 0 | 0 | 0 | 111.7 | H442 R443 S475 V476 V478 C480 E485 | H442-F487 VanDerWaalsContact O-CA 3.28Å; H442-F487 WeakPolarHBondContact O-CA 3.1Å; H442-F487 WeakPolarHBondContact O-CB 3.47Å; H442-F487 WeakPolarHBondContact O-CD1 3.25Å; R443-F487 VanDerWaalsContact CA-CD1 3.42Å; R443-F487 VanDerWaalsContact CA-CE1 3.49Å; R443-F487 HydrophobicContact CB-CD1 4.09Å; R443-F487 HydrophobicContact CB-CE1 3.6Å; R443-F487 HydrophobicContact CB-CZ 4.25Å; R443-F487 HydrophobicContact CG-CE1 4Å; R443-F487 HydrophobicContact CG-CZ 4.14Å; S475-F487 WeakPolarHBondContact CA-O 2.92Å; V476-F487 PolarHBondContact N-O 3.39Å; V476-F487 PolarHBondContact O-N 3Å; V478-F487 WeakPolarHBondContact O-CD2 3.41Å; V478-F487 WeakPolarHBondContact O-CE2 3.2Å; C480-F487 HydrophobicContact CB-CD1 3.49Å; C480-F487 VanDerWaalsContact CB-CD1 3.49Å; C480-F487 HydrophobicContact CB-CD2 3.86Å; C480-F487 HydrophobicContact CB-CE1 3.47Å; C480-F487 VanDerWaalsContact CB-CE1 3.47Å; C480-F487 HydrophobicContact CB-CE2 3.83Å; C480-F487 HydrophobicContact CB-CG 3.73Å; C480-F487 HydrophobicContact CB-CZ 3.66Å; E485-F487 HydrophobicContact CB-CE2 4.22Å; E485-F487 WeakPolarHBondContact O-CD2 3.06Å; E485-F487 VanDerWaalsContact O-CE2 3.27Å; E485-F487 WeakPolarHBondContact O-CE2 2.91Å |
| 488 | A | 68.1 | Low | 63.7 | Low | 8 Ų | 8 | 55.1 Ų | 55.1 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 133 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | C441 H442 M444 F490 | C441-A488 VanDerWaalsContact CA-O 3.28Å; C441-A488 WeakPolarHBondContact CA-O 3.36Å; H442-A488 PolarHBondContact N-O 3.09Å; H442-A488 PolarHBondContact O-N 3.05Å; M444-A488 HydrophobicContact CE-CB 3.42Å; M444-A488 VanDerWaalsContact CE-CB 3.42Å; M444-A488 HydrophobicContact CG-CB 4.02Å; M444-A488 HydrophobicContact SD-CB 3.6Å; M444-A488 VanDerWaalsContact SD-CB 3.6Å; M444-A488 PolarHBondContact SD-N 3.37Å; M444-A488 VanDerWaalsContact SD-N 3.43Å; A488-F490 HydrophobicContact CB-CE2 4.01Å; A488-F490 HydrophobicContact CB-CZ 4.01Å |
| 489 | V | 75 | Confident | 64.9 | Low | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.8 | 179.5 | -171.3 | 0 | 0 | 0 | 0 | 110.5 | M439 S473 F474 V476 | M439-V489 HydrophobicContact CB-CG1 4.04Å; M439-V489 HydrophobicContact CG-CG1 4.19Å; M439-V489 HydrophobicContact SD-CG1 4.23Å; S473-V489 PolarHBondContact N-O 2.97Å; F474-V489 HydrophobicContact CD1-CB 4.24Å; F474-V489 HydrophobicContact CD1-CG1 4.46Å; F474-V489 HydrophobicContact CD2-CB 4.45Å; F474-V489 HydrophobicContact CD2-CG2 4.19Å; F474-V489 HydrophobicContact CE1-CB 4.06Å; F474-V489 HydrophobicContact CE1-CG1 3.88Å; F474-V489 HydrophobicContact CE1-CG2 4.44Å; F474-V489 HydrophobicContact CE2-CB 4.32Å; F474-V489 HydrophobicContact CE2-CG2 3.87Å; F474-V489 HydrophobicContact CG-CB 4.43Å; F474-V489 HydrophobicContact CZ-CB 4.11Å; F474-V489 HydrophobicContact CZ-CG1 4.01Å; F474-V489 HydrophobicContact CZ-CG2 4Å; F474-V489 PolarHBondContact N-O 3.05Å; F474-V489 WeakPolarHBondContact O-CB 3.37Å; F474-V489 PolarHBondContact O-N 2.96Å; V476-V489 HydrophobicContact CG2-CG2 4.19Å |
| 490 | F | 81.9 | Confident | 66.3 | Low | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.8 | 177.7 | -46.7 | -94.3 | 0 | 0 | 0 | 111.1 | V392 M424 M439 L440 H442 L458 I471 I472 A488 K492 | V392-F490 HydrophobicContact CG1-CE1 4.44Å; V392-F490 HydrophobicContact CG2-CE1 3.68Å; V392-F490 HydrophobicContact CG2-CZ 3.8Å; M424-F490 HydrophobicContact SD-CE2 4.47Å; M439-F490 CarbonylContact C-O 3.54Å; M439-F490 WeakPolarHBondContact CA-O 3.38Å; L440-F490 HydrophobicContact CB-CB 4.31Å; L440-F490 PolarHBondContact N-O 2.7Å; L440-F490 PolarHBondContact O-N 3.45Å; H442-F490 HydrophobicContact CB-CE2 4.21Å; L458-F490 HydrophobicContact CB-CD1 3.92Å; L458-F490 HydrophobicContact CB-CE1 4.15Å; L458-F490 HydrophobicContact CB-CG 4.45Å; L458-F490 HydrophobicContact CD1-CE1 4.35Å; L458-F490 HydrophobicContact CD1-CZ 4.34Å; L458-F490 HydrophobicContact CD2-CB 4.49Å; L458-F490 HydrophobicContact CD2-CD1 4.29Å; L458-F490 HydrophobicContact CD2-CD2 4.11Å; L458-F490 HydrophobicContact CD2-CE2 4.42Å; L458-F490 HydrophobicContact CD2-CG 4.05Å; I471-F490 CarbonylContact O-C 3.48Å; I471-F490 WeakPolarHBondContact O-CA 3.4Å; I472-F490 HydrophobicContact CB-CD1 4.48Å; I472-F490 HydrophobicContact CG1-CD1 3.9Å; I472-F490 HydrophobicContact CG1-CE1 3.76Å; A488-F490 HydrophobicContact CB-CE2 4.01Å; A488-F490 HydrophobicContact CB-CZ 4.01Å; F490-K492 PolarHBondContact O-N 3Å |
| 491 | T | 85.5 | Confident | 67.2 | Low | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 124.6 | 171.6 | -57.2 | 0 | 0 | 0 | 0 | 110.1 | D355 I356 G470 I471 V493 Y496 | D355-T491 WeakPolarHBondContact O-CB 3.5Å; D355-T491 PolarHBondContact O-OG1 2.77Å; I356-T491 HydrophobicContact CB-CG2 4.08Å; I356-T491 HydrophobicContact CG2-CG2 4.43Å; G470-T491 VanDerWaalsContact CA-O 3.24Å; G470-T491 WeakPolarHBondContact CA-O 3.43Å; I471-T491 PolarHBondContact N-O 2.89Å; I471-T491 VanDerWaalsContact N-O 3.17Å; I471-T491 PolarHBondContact O-N 2.81Å; T491-V493 PolarHBondContact O-N 2.96Å; T491-Y496 HydrophobicContact CG2-CD2 3.95Å; T491-Y496 HydrophobicContact CG2-CE2 3.26Å |
| 492 | K | 87.7 | Confident | 67.9 | Low | 29 Ų | 29 | 60.5 Ų | 60.5 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 102.6 | -174.9 | -173.3 | 174 | 179.7 | 163.2 | 0 | 112 | N438 L440 F490 S494 R495 Y496 | N438-K492 WeakPolarHBondContact O-CB 3.42Å; N438-K492 PolarHBondContact O-N 2.82Å; L440-K492 HydrophobicContact CD1-CB 4.45Å; L440-K492 HydrophobicContact CD1-CG 4.28Å; L440-K492 HydrophobicContact CD2-CB 4.45Å; L440-K492 HydrophobicContact CD2-CD 3.89Å; L440-K492 HydrophobicContact CD2-CG 4.08Å; L440-K492 HydrophobicContact CG-CB 4Å; L440-K492 HydrophobicContact CG-CD 4.35Å; L440-K492 HydrophobicContact CG-CG 4.04Å; F490-K492 PolarHBondContact O-N 3Å; K492-S494 VanDerWaalsContact C-N 3.31Å; K492-S494 WeakPolarHBondContact CE-OG 3.05Å; K492-S494 PolarHBondContact O-N 2.9Å; K492-R495 HydrophobicContact CB-CG 4.35Å; K492-R495 HydrophobicContact CD-CG 4.07Å; K492-R495 HydrophobicContact CG-CG 4.22Å; K492-R495 WeakPolarHBondContact O-CB 3.03Å; K492-R495 PolarHBondContact O-N 2.82Å; K492-Y496 VanDerWaalsContact O-CD2 3.22Å; K492-Y496 WeakPolarHBondContact O-CD2 3.29Å; K492-Y496 WeakPolarHBondContact O-CE2 3.27Å |
| 493 | V | 88.5 | Confident | 68.7 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -57.6 | -37.9 | -172.6 | 174.3 | 0 | 0 | 0 | 0 | 113.5 | L272 L376 P377 L468 Y469 I471 T491 R495 Y496 L497 | L272-V493 HydrophobicContact CD1-CG1 4.43Å; L376-V493 HydrophobicContact CD2-CG1 3.85Å; P377-V493 HydrophobicContact CG-CB 4.37Å; P377-V493 HydrophobicContact CG-CG1 4.14Å; L468-V493 HydrophobicContact CD2-CG2 4.39Å; L468-V493 HydrophobicContact CG-CG2 4.16Å; L468-V493 WeakPolarHBondContact O-CB 3.45Å; Y469-V493 PolarHBondContact O-N 2.77Å; Y469-V493 VanDerWaalsContact O-N 3.1Å; I471-V493 HydrophobicContact CD1-CG2 4.17Å; I471-V493 HydrophobicContact CG1-CG2 3.93Å; T491-V493 PolarHBondContact O-N 2.96Å; V493-R495 PolarHBondContact O-N 2.66Å; V493-Y496 PolarHBondContact O-N 2.85Å; V493-L497 HydrophobicContact CG1-CD2 4.3Å |
| 494 | S | 84.7 | Confident | 69.7 | Low | 13 Ų | 13 | 44.9 Ų | 44.9 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -60.8 | -18.5 | -179.6 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | K492 | K492-S494 VanDerWaalsContact C-N 3.31Å; K492-S494 WeakPolarHBondContact CE-OG 3.05Å; K492-S494 PolarHBondContact O-N 2.9Å |
| 495 | R | 82.3 | Confident | 71.5 | Confident | 114 Ų | 114 | 36.7 Ų | 36.7 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -81 | -15.1 | 174.8 | -65.1 | -55.8 | -170.6 | 100.6 | -16.7 | 114.5 | N438 K492 V493 | N438-R495 PolarHBondContact OD1-NH1 2.93Å; K492-R495 HydrophobicContact CB-CG 4.35Å; K492-R495 HydrophobicContact CD-CG 4.07Å; K492-R495 HydrophobicContact CG-CG 4.22Å; K492-R495 WeakPolarHBondContact O-CB 3.03Å; K492-R495 PolarHBondContact O-N 2.82Å; V493-R495 PolarHBondContact O-N 2.66Å |
| 496 | Y | 81.3 | Confident | 73.1 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 5% | 0.051 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -4.4 | -174.5 | -61.8 | -81.3 | 0 | 0 | 0 | 113.4 | D354 I356 T491 K492 V493 D498 W499 M500 | D354-Y496 VanDerWaalsContact CA-OH 3.3Å; D354-Y496 WeakPolarHBondContact CA-OH 3.13Å; D354-Y496 HydrophobicContact CB-CE1 3.8Å; D354-Y496 VanDerWaalsContact OD1-CE1 3.28Å; D354-Y496 WeakPolarHBondContact OD1-CE1 3.25Å; D354-Y496 VanDerWaalsContact OD1-CZ 3.28Å; D354-Y496 PolarHBondContact OD1-OH 2.93Å; I356-Y496 HydrophobicContact CD1-CD2 4.15Å; I356-Y496 HydrophobicContact CD1-CG 4.01Å; I356-Y496 HydrophobicContact CG2-CD1 3.62Å; I356-Y496 HydrophobicContact CG2-CD2 4.33Å; I356-Y496 HydrophobicContact CG2-CE1 3.8Å; I356-Y496 HydrophobicContact CG2-CE2 4.49Å; I356-Y496 HydrophobicContact CG2-CG 3.92Å; T491-Y496 HydrophobicContact CG2-CD2 3.95Å; T491-Y496 HydrophobicContact CG2-CE2 3.26Å; K492-Y496 VanDerWaalsContact O-CD2 3.22Å; K492-Y496 WeakPolarHBondContact O-CD2 3.29Å; K492-Y496 WeakPolarHBondContact O-CE2 3.27Å; V493-Y496 PolarHBondContact O-N 2.85Å; Y496-D498 VanDerWaalsContact C-N 3.27Å; Y496-D498 PolarHBondContact O-N 3.36Å; Y496-W499 HydrophobicContact CD1-CE3 4.38Å; Y496-W499 CarbonylContact O-C 3.58Å; Y496-W499 WeakPolarHBondContact O-CA 3.44Å; Y496-W499 WeakPolarHBondContact O-CB 3.23Å; Y496-W499 PolarHBondContact O-N 3.26Å; Y496-M500 VanDerWaalsContact O-CG 3.3Å; Y496-M500 WeakPolarHBondContact O-CG 3.24Å; Y496-M500 PolarHBondContact O-N 2.78Å |
| 497 | L | 79.1 | Confident | 74.4 | Confident | 9 Ų | 9 | 33 Ų | 33 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.2 | -37.7 | -179 | -62 | 173.5 | 0 | 0 | 0 | 112.8 | W262 L376 P377 I379 V493 M500 K501 | W262-L497 HydrophobicContact CZ3-CD2 4.25Å; L376-L497 HydrophobicContact CB-CD2 4.15Å; L376-L497 HydrophobicContact CD1-CD2 4.12Å; L376-L497 HydrophobicContact CD2-CD2 4.37Å; L376-L497 HydrophobicContact CG-CD2 4.46Å; P377-L497 HydrophobicContact CG-CD1 4.43Å; P377-L497 WeakPolarHBondContact O-CD1 3.48Å; I379-L497 HydrophobicContact CD1-CB 4.44Å; I379-L497 HydrophobicContact CG1-CB 3.95Å; I379-L497 HydrophobicContact CG1-CD1 3.83Å; V493-L497 HydrophobicContact CG1-CD2 4.3Å; L497-M500 HydrophobicContact CD2-SD 4.23Å; L497-K501 WeakPolarHBondContact O-CG 3.42Å; L497-K501 PolarHBondContact O-N 3.05Å |
| 498 | D | 68.3 | Low | 75.5 | Confident | 83 Ų | 83 | 33.4 Ų | 33.4 | 44% | 0.444 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -72.8 | -32.6 | 175.9 | -85.2 | -5.1 | 0 | 0 | 0 | 113.3 | I379 Y496 K501 K502 | I379-D498 VanDerWaalsContact CD1-OD1 3.25Å; I379-D498 WeakPolarHBondContact CD1-OD1 3.33Å; Y496-D498 VanDerWaalsContact C-N 3.27Å; Y496-D498 PolarHBondContact O-N 3.36Å; D498-K501 IonicContact OD1-NZ 2.81Å; D498-K502 WeakPolarHBondContact O-CG 3.48Å; D498-K502 PolarHBondContact O-N 3.37Å |
| 499 | W | 71.3 | Confident | 75.7 | Confident | 63 Ų | 63 | 36.2 Ų | 36.2 | 24% | 0.239 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.8 | -46.2 | 171.9 | 162.6 | 80.6 | 0 | 0 | 0 | 110.4 | I343 P344 I356 I358 Y496 K501 K502 A503 | I343-W499 HydrophobicContact CG2-CZ2 3.96Å; P344-W499 WeakPolarHBondContact O-CZ2 3.04Å; I356-W499 HydrophobicContact CD1-CZ3 4.22Å; I356-W499 HydrophobicContact CG1-CZ3 4.15Å; I356-W499 HydrophobicContact CG2-CH2 4.34Å; I356-W499 HydrophobicContact CG2-CZ3 4.06Å; I358-W499 HydrophobicContact CD1-CE3 4.29Å; I358-W499 HydrophobicContact CD1-CH2 3.64Å; I358-W499 HydrophobicContact CD1-CZ2 4.24Å; I358-W499 HydrophobicContact CD1-CZ3 3.66Å; I358-W499 HydrophobicContact CG1-CH2 3.65Å; I358-W499 HydrophobicContact CG1-CZ3 3.77Å; Y496-W499 HydrophobicContact CD1-CE3 4.38Å; Y496-W499 CarbonylContact O-C 3.58Å; Y496-W499 WeakPolarHBondContact O-CA 3.44Å; Y496-W499 WeakPolarHBondContact O-CB 3.23Å; Y496-W499 PolarHBondContact O-N 3.26Å; W499-K501 VanDerWaalsContact C-N 3.32Å; W499-K501 PolarHBondContact O-N 2.94Å; W499-K502 CarbonylContact O-C 3.54Å; W499-K502 PolarHBondContact O-N 2.81Å; W499-A503 VanDerWaalsContact O-CB 3.25Å; W499-A503 WeakPolarHBondContact O-CB 3.33Å; W499-A503 PolarHBondContact O-N 2.86Å; W499-A503 VanDerWaalsContact O-N 3.08Å |
| 500 | M | 70.6 | Confident | 75.9 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.7 | -44.3 | 177.4 | -68.7 | 173.6 | 68.8 | 0 | 0 | 111.7 | I260 W262 L272 I358 L376 Y496 L497 K502 A503 | I260-M500 HydrophobicContact CD1-CE 3.33Å; W262-M500 HydrophobicContact CE3-CE 3.5Å; W262-M500 VanDerWaalsContact CE3-CE 3.5Å; W262-M500 HydrophobicContact CH2-CB 3.43Å; W262-M500 VanDerWaalsContact CH2-CB 3.43Å; W262-M500 HydrophobicContact CH2-CE 4.31Å; W262-M500 HydrophobicContact CZ2-CB 4.26Å; W262-M500 HydrophobicContact CZ3-CB 3.61Å; W262-M500 HydrophobicContact CZ3-CE 3.31Å; W262-M500 HydrophobicContact CZ3-CG 4.33Å; W262-M500 HydrophobicContact CZ3-SD 3.84Å; L272-M500 HydrophobicContact CD1-CE 3.7Å; L272-M500 HydrophobicContact CD1-SD 3.97Å; L272-M500 HydrophobicContact CD2-CE 3.82Å; L272-M500 HydrophobicContact CD2-SD 4.18Å; L272-M500 HydrophobicContact CG-CE 4Å; I358-M500 HydrophobicContact CD1-CB 4.23Å; I358-M500 HydrophobicContact CD1-CG 3.92Å; I358-M500 HydrophobicContact CG1-CG 4.43Å; L376-M500 HydrophobicContact CD1-CE 4.21Å; Y496-M500 VanDerWaalsContact O-CG 3.3Å; Y496-M500 WeakPolarHBondContact O-CG 3.24Å; Y496-M500 PolarHBondContact O-N 2.78Å; L497-M500 HydrophobicContact CD2-SD 4.23Å; M500-K502 PolarHBondContact O-N 2.88Å; M500-A503 PolarHBondContact O-N 3.22Å |
| 501 | K | 62.4 | Low | 75.6 | Confident | 89 Ų | 89 | 43 Ų | 43 | 39% | 0.387 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -55.2 | -37.4 | 173.7 | -76.2 | 172.2 | -174.6 | 175.3 | 0 | 112.9 | W262 L497 D498 W499 | W262-K501 HydrophobicContact CH2-CG 3.73Å; W262-K501 HydrophobicContact CZ2-CB 4.19Å; W262-K501 HydrophobicContact CZ2-CG 3.44Å; W262-K501 VanDerWaalsContact CZ2-CG 3.44Å; L497-K501 WeakPolarHBondContact O-CG 3.42Å; L497-K501 PolarHBondContact O-N 3.05Å; D498-K501 IonicContact OD1-NZ 2.81Å; W499-K501 VanDerWaalsContact C-N 3.32Å; W499-K501 PolarHBondContact O-N 2.94Å |
| 502 | K | 59.1 | Low | 75.1 | Confident | 130 Ų | 130 | 43 Ų | 43 | 57% | 0.565 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -92.7 | -7.4 | -173.3 | -69 | 175.8 | -178.6 | 176.8 | 0 | 114.8 | D498 W499 M500 | D498-K502 WeakPolarHBondContact O-CG 3.48Å; D498-K502 PolarHBondContact O-N 3.37Å; W499-K502 CarbonylContact O-C 3.54Å; W499-K502 PolarHBondContact O-N 2.81Å; M500-K502 PolarHBondContact O-N 2.88Å |
| 503 | A | 59.9 | Low | 74.1 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -91 | -11.6 | -160.9 | 0 | 0 | 0 | 0 | 0 | 116 | I343 I358 W499 M500 K507 | I343-A503 HydrophobicContact CG2-CB 4Å; I358-A503 HydrophobicContact CD1-CB 4.16Å; W499-A503 VanDerWaalsContact O-CB 3.25Å; W499-A503 WeakPolarHBondContact O-CB 3.33Å; W499-A503 PolarHBondContact O-N 2.86Å; W499-A503 VanDerWaalsContact O-N 3.08Å; M500-A503 PolarHBondContact O-N 3.22Å; A503-K507 WeakPolarHBondContact O-CE 3.49Å; A503-K507 PolarHBondContact O-NZ 2.86Å |
| 504 | I | 62.9 | Low | 72.5 | Confident | 39 Ų | 39 | 46 Ų | 46 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -99.7 | -30.4 | -163.2 | -56.9 | 175.6 | 0 | 0 | 0 | 114.1 | L270 | L270-I504 HydrophobicContact CD1-CD1 4.09Å; L270-I504 HydrophobicContact CD2-CD1 4.25Å |
| 505 | C | 78.3 | Confident | 70.7 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 157.5 | 179.6 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | K507 D556 C670 | C505-K507 VanDerWaalsContact C-N 3.32Å; C505-K507 PolarHBondContact O-N 2.64Å; C505-D556 HydrophobicContact CB-CB 3.72Å; C505-D556 WeakPolarHBondContact CB-OD2 3.38Å; C505-C670 HydrophobicContact CB-CB 4.06Å; C505-C670 WeakPolarHBondContact CB-SG 3.34Å; C505-C670 PolarHBondContact O-SG 2.93Å; C505-C670 WeakPolarHBondContact SG-CA 3.37Å; C505-C670 WeakPolarHBondContact SG-CB 3.18Å; C505-C670 CovalentContact SG-SG 2.03Å; C505-C670 PolarHBondContact SG-SG 2.82Å |
| 506 | G | 79.9 | Confident | 68.9 | Low | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 23.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | P508 G668 K750 Y751 | G506-P508 WeakPolarHBondContact O-CD 3.49Å; G506-G668 PolarHBondContact N-O 3.21Å; G506-K750 CarbonylContact O-C 2.96Å; G506-Y751 WeakPolarHBondContact CA-O 3.24Å; G506-Y751 PolarHBondContact O-N 3.39Å |
| 507 | K | 78.5 | Confident | 66.9 | Low | 52 Ų | 52 | 67.3 Ų | 67.3 | 23% | 0.226 | 31% | 0.312 | C | S | . | . | trans | -118.1 | 83.6 | 179.1 | -70.6 | -171.1 | 176.9 | -178.8 | 0 | 111 | H341 I343 A503 C505 Q667 K750 | H341-K507 PolarHBondContact NE2-O 3.26Å; I343-K507 HydrophobicContact CG1-CD 4.43Å; I343-K507 VanDerWaalsContact CG2-NZ 3.25Å; A503-K507 WeakPolarHBondContact O-CE 3.49Å; A503-K507 PolarHBondContact O-NZ 2.86Å; C505-K507 VanDerWaalsContact C-N 3.32Å; C505-K507 PolarHBondContact O-N 2.64Å; K507-Q667 PolarHBondContact O-OE1 2.85Å; K507-K750 HydrophobicContact CG-CB 4.3Å | ||
| 508 | P | 80.9 | Confident | 64.8 | Low | 23 Ų | 23 | 77.4 Ų | 77.4 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | trans | -65.8 | 144.8 | -175 | 30.7 | -35.5 | 0 | 0 | 0 | 111.5 | G506 P512 S532 P534 W535 Y751 | G506-P508 WeakPolarHBondContact O-CD 3.49Å; P508-P512 HydrophobicContact CG-CG 4.34Å; P508-S532 VanDerWaalsContact CB-O 3.29Å; P508-S532 WeakPolarHBondContact CB-O 3.38Å; P508-P534 HydrophobicContact CB-CG 3.77Å; P508-W535 HydrophobicContact CB-CH2 4.16Å; P508-W535 HydrophobicContact CB-CZ3 4.18Å; P508-W535 HydrophobicContact CG-CH2 3.88Å; P508-W535 HydrophobicContact CG-CZ3 4.25Å; P508-Y751 HydrophobicContact CG-CD2 4.08Å; P508-Y751 HydrophobicContact CG-CE2 4.03Å | ||
| 509 | Y | 72.5 | Confident | 63.2 | Low | 66 Ų | 66 | 79.2 Ų | 79.2 | 26% | 0.259 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -66.5 | -39.7 | 175.8 | -174.4 | -90.6 | 0 | 0 | 0 | 111.8 | E316 T340 K664 | E316-Y509 PolarHBondContact OE1-OH 2.88Å; T340-Y509 VanDerWaalsContact O-CD2 3.31Å; T340-Y509 WeakPolarHBondContact O-CD2 3.28Å; T340-Y509 VanDerWaalsContact O-CE2 3.32Å; T340-Y509 WeakPolarHBondContact O-CE2 2.99Å; Y509-K664 HydrophobicContact CG-CB 4.32Å |
| 510 | F | 79 | Confident | 61.3 | Low | 60 Ų | 60 | 81.8 Ų | 81.8 | 26% | 0.263 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -98.4 | 121.3 | 174.5 | -55.1 | -79.9 | 0 | 0 | 0 | 108.6 | P512 H531 S532 Y665 | F510-P512 WeakPolarHBondContact O-CD 3.35Å; F510-H531 HydrophobicContact CD2-CB 3.82Å; F510-H531 HydrophobicContact CE2-CB 4.06Å; F510-S532 WeakPolarHBondContact O-CA 3.44Å; F510-S532 VanDerWaalsContact O-CB 3.28Å; F510-S532 WeakPolarHBondContact O-CB 3.42Å; F510-Y665 AromaticContact CE2-CD1 3.84Å; F510-Y665 HydrophobicContact CE2-CD1 3.84Å; F510-Y665 AromaticContact CE2-CE1 3.9Å; F510-Y665 HydrophobicContact CE2-CE1 3.9Å; F510-Y665 HydrophobicContact CZ-CE1 4.14Å |
| 511 | D | 75.8 | Confident | 59.6 | Low | 96 Ų | 96 | 88 Ų | 88 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | trans | -66.3 | 130.1 | 179.5 | -167.6 | -18.8 | 0 | 0 | 0 | 110.3 | V513 | D511-V513 PolarHBondContact O-N 3.3Å; D511-V513 VanDerWaalsContact O-N 3.11Å; D511-V513 WeakPolarHBondContact OD1-CG2 3.47Å; D511-V513 PolarHBondContact OD1-N 2.79Å; D511-V513 VanDerWaalsContact OD1-N 3.09Å | ||
| 512 | P | 74.7 | Confident | 58.5 | Low | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -56.8 | -16.2 | 171.8 | -29.5 | 37.2 | 0 | 0 | 0 | 115.4 | P508 F510 P514 S532 Q704 Y751 | P508-P512 HydrophobicContact CG-CG 4.34Å; F510-P512 WeakPolarHBondContact O-CD 3.35Å; P512-P514 VanDerWaalsContact O-CD 3.29Å; P512-P514 WeakPolarHBondContact O-CD 3.26Å; P512-S532 WeakPolarHBondContact CG-O 3.28Å; P512-Q704 PolarHBondContact O-NE2 3.28Å; P512-Y751 HydrophobicContact CG-CE1 4.4Å; P512-Y751 HydrophobicContact CG-CE2 4.08Å |
| 513 | V | 67 | Low | 57.9 | Low | 46 Ų | 46 | 80.4 Ų | 80.4 | 28% | 0.279 | 38% | 0.377 | S | S | . | . | trans | -84.9 | 113.7 | -172.4 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | D511 R684 | D511-V513 PolarHBondContact O-N 3.3Å; D511-V513 VanDerWaalsContact O-N 3.11Å; D511-V513 WeakPolarHBondContact OD1-CG2 3.47Å; D511-V513 PolarHBondContact OD1-N 2.79Å; D511-V513 VanDerWaalsContact OD1-N 3.09Å; V513-R684 VanDerWaalsContact CG2-CZ 3.41Å; V513-R684 VanDerWaalsContact CG2-NH2 3.34Å | ||
| 514 | P | 53.6 | Low | 57.2 | Low | 46 Ų | 46 | 87.6 Ų | 87.6 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | trans | -76 | 141 | 177.7 | -5.4 | 21.4 | 0 | 0 | 0 | 111.4 | P512 Y516 F526 V529 | P512-P514 VanDerWaalsContact O-CD 3.29Å; P512-P514 WeakPolarHBondContact O-CD 3.26Å; P514-Y516 VanDerWaalsContact C-N 3.33Å; P514-Y516 PolarHBondContact O-N 3.04Å; P514-F526 HydrophobicContact CB-CE2 4.47Å; P514-F526 HydrophobicContact CG-CD2 3.73Å; P514-F526 HydrophobicContact CG-CE2 3.08Å; P514-F526 HydrophobicContact CG-CZ 3.73Å; P514-V529 HydrophobicContact CB-CG2 4.47Å | ||
| 515 | E | 48.4 | Very low | 56.8 | Low | 193 Ų | 193 | 86 Ų | 86 | 90% | 0.902 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -61 | 96.1 | 155.1 | -79.8 | -174.1 | 146.9 | 0 | 0 | 109.3 | K517 | E515-K517 PolarHBondContact O-N 3.43Š|
| 516 | Y | 42.6 | Very low | 56.5 | Low | 210 Ų | 210 | 87.7 Ų | 87.7 | 82% | 0.824 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 42 | 69.2 | 152.3 | -122.7 | -89.5 | 0 | 0 | 0 | 117.4 | P514 | P514-Y516 VanDerWaalsContact C-N 3.33Å; P514-Y516 PolarHBondContact O-N 3.04Å |
| 517 | K | 40.6 | Very low | 56.2 | Low | 186 Ų | 186 | 91.2 Ų | 91.2 | 81% | 0.809 | 42% | 0.42 | S | S | * | . | trans | -137.9 | 104.9 | 160.9 | -74.9 | -171.7 | -179.5 | 172.4 | 0 | 112.2 | E515 | E515-K517 PolarHBondContact O-N 3.43Š| ||
| 518 | R | 34.5 | Very low | 56.4 | Low | 220 Ų | 220 | 88.9 Ų | 88.9 | 83% | 0.83 | 41% | 0.411 | S | S | * | . | trans | -78.3 | 107.8 | 166.9 | -66.7 | 179.8 | -178.6 | -175.8 | 0 | 108.2 | ||||
| 519 | T | 35.6 | Very low | 56.5 | Low | 121 Ų | 121 | 90 Ų | 90 | 74% | 0.742 | 42% | 0.417 | S | S | * | . | trans | 165 | 142.9 | 143.6 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 520 | N | 30.9 | Very low | 57.1 | Low | 117 Ų | 117 | 89.9 Ų | 89.9 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | trans | 86.5 | 90.8 | 175.5 | -62.6 | -11 | 0 | 0 | 0 | 116 | G525 F526 | N520-G525 CarbonylContact C-O 3.48Å; N520-F526 WeakPolarHBondContact O-CA 3.46Å | ||
| 521 | R | 35.6 | Very low | 57.4 | Low | 135 Ų | 135 | 88.4 Ų | 88.4 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | 68.6 | 84.5 | 80.1 | -144.5 | -174.1 | -161.3 | 164.7 | 4.3 | 110 | G525 I693 | R521-G525 PolarHBondContact N-O 2.96Å; R521-I693 VanDerWaalsContact O-CB 3.24Å; R521-I693 WeakPolarHBondContact O-CB 3.38Å; R521-I693 VanDerWaalsContact O-CD1 3.31Å; R521-I693 WeakPolarHBondContact O-CD1 3.49Å; R521-I693 WeakPolarHBondContact O-CG2 3.28Å | |||
| 522 | I | 39.3 | Very low | 58 | Low | 13 Ų | 13 | 83.9 Ų | 83.9 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | S | Bend | -55.6 | 140.7 | 63.7 | -64.5 | -175.3 | 0 | 0 | 0 | 110.5 | R524 G525 I693 Q703 | I522-R524 CarbonylContact O-C 3.34Å; I522-R524 WeakPolarHBondContact O-CA 3.47Å; I522-R524 PolarHBondContact O-N 3.1Å; I522-G525 WeakPolarHBondContact O-CA 3.29Å; I522-G525 PolarHBondContact O-N 2.9Å; I522-I693 HydrophobicContact CB-CG2 4.17Å; I522-I693 HydrophobicContact CD1-CG2 4.38Å; I522-I693 HydrophobicContact CG1-CB 4.05Å; I522-I693 HydrophobicContact CG1-CG2 3.28Å; I522-Q703 HydrophobicContact CD1-CB 3.26Å; I522-Q703 HydrophobicContact CD1-CG 3.66Å; I522-Q703 HydrophobicContact CG1-CB 3.72Å; I522-Q703 HydrophobicContact CG1-CG 3.7Å | |
| 523 | V | 44.6 | Very low | 58.8 | Low | 46 Ų | 46 | 84.2 Ų | 84.2 | 28% | 0.279 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -38.6 | 101 | -172 | -151.7 | 0 | 0 | 0 | 0 | 109.4 | G525 D732 | V523-G525 PolarHBondContact O-N 3.08Å; V523-G525 VanDerWaalsContact O-N 3.17Å; V523-D732 VanDerWaalsContact C-CB 3.48Å; V523-D732 HydrophobicContact CB-CB 3.69Å; V523-D732 HydrophobicContact CG1-CB 3.59Å; V523-D732 WeakPolarHBondContact CG1-OD1 3.26Å; V523-D732 WeakPolarHBondContact O-CB 3.05Å |
| 524 | R | 46.5 | Very low | 60 | Low | 156 Ų | 156 | 82.1 Ų | 82.1 | 59% | 0.589 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 3 | -166.6 | -55.5 | -165.8 | -172.8 | 135.4 | -2 | 122.5 | I522 F705 N730 E731 D732 | I522-R524 CarbonylContact O-C 3.34Å; I522-R524 WeakPolarHBondContact O-CA 3.47Å; I522-R524 PolarHBondContact O-N 3.1Å; R524-F705 HydrophobicContact CB-CE2 4.43Å; R524-N730 PolarHBondContact NH1-O 3.01Å; R524-E731 IonicContact NH2-OE2 2.67Å; R524-D732 HydrophobicContact CB-CB 4.09Å; R524-D732 WeakPolarHBondContact CD-OD2 3.47Å; R524-D732 HydrophobicContact CG-CB 4.13Å; R524-D732 WeakPolarHBondContact CG-OD2 3.39Å; R524-D732 IonicContact CZ-OD1 2.86Å; R524-D732 IonicContact CZ-OD2 3.26Å; R524-D732 IonicContact NE-OD1 3.96Å; R524-D732 IonicContact NE-OD2 3.25Å; R524-D732 PolarHBondContact NE-OD2 3.39Å; R524-D732 IonicContact NH1-OD2 2.82Å; R524-D732 PolarHBondContact NH1-OD2 2.77Å |
| 525 | G | 54.6 | Low | 61.9 | Low | 4 Ų | 4 | 80 Ų | 80 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | trans | -70.4 | 174.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N520 R521 I522 V523 Q704 | N520-G525 CarbonylContact C-O 3.48Å; R521-G525 PolarHBondContact N-O 2.96Å; I522-G525 WeakPolarHBondContact O-CA 3.29Å; I522-G525 PolarHBondContact O-N 2.9Å; V523-G525 PolarHBondContact O-N 3.08Å; V523-G525 VanDerWaalsContact O-N 3.17Å; G525-Q704 WeakPolarHBondContact CA-O 3.48Å | ||
| 526 | F | 71.4 | Confident | 64.2 | Low | 51 Ų | 51 | 71.1 Ų | 71.1 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 159.1 | 179.6 | 53.4 | -91.4 | 0 | 0 | 0 | 111.7 | P514 N520 A528 Q704 | P514-F526 HydrophobicContact CB-CE2 4.47Å; P514-F526 HydrophobicContact CG-CD2 3.73Å; P514-F526 HydrophobicContact CG-CE2 3.08Å; P514-F526 HydrophobicContact CG-CZ 3.73Å; N520-F526 WeakPolarHBondContact O-CA 3.46Å; F526-A528 PolarHBondContact O-N 3.4Å; F526-Q704 HydrophobicContact CD2-CG 3.86Å; F526-Q704 HydrophobicContact CE2-CG 3.45Å; F526-Q704 VanDerWaalsContact CE2-CG 3.45Å; F526-Q704 HydrophobicContact CZ-CG 3.94Å; F526-Q704 VanDerWaalsContact CZ-NE2 3.29Å; F526-Q704 PolarHBondContact N-O 2.61Å; F526-Q704 PolarHBondContact O-N 2.76Å |
| 527 | N | 74.6 | Confident | 66.6 | Low | 75 Ų | 75 | 61.1 Ų | 61.1 | 40% | 0.401 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 125.4 | 176.8 | -64.9 | 5.7 | 0 | 0 | 0 | 109.5 | E701 Q703 | N527-E701 PolarHBondContact ND2-OE2 3.07Å; N527-Q703 PolarHBondContact OD1-NE2 2.85Å; N527-Q703 PolarHBondContact OD1-OE1 3.19Å |
| 528 | A | 82.3 | Confident | 69.2 | Low | 2 Ų | 2 | 52.3 Ų | 52.3 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 143.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | F526 H620 L702 Q704 | F526-A528 PolarHBondContact O-N 3.4Å; A528-H620 PolarHBondContact O-CE1 3.02Å; A528-L702 HydrophobicContact CB-CB 4.35Å; A528-L702 HydrophobicContact CB-CD2 4.14Å; A528-L702 HydrophobicContact CB-CG 4.09Å; A528-L702 WeakPolarHBondContact CB-O 3.22Å; A528-L702 PolarHBondContact N-O 2.89Å; A528-Q704 HydrophobicContact CB-CB 4.07Å; A528-Q704 HydrophobicContact CB-CG 4.01Å |
| 529 | V | 83.3 | Confident | 72 | Confident | 47 Ų | 47 | 41.8 Ų | 41.8 | 29% | 0.285 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -56.6 | 129.3 | 168.6 | 175.6 | 0 | 0 | 0 | 0 | 107.1 | P514 H531 S532 | P514-V529 HydrophobicContact CB-CG2 4.47Å; V529-H531 PolarHBondContact O-N 3.04Å; V529-S532 VanDerWaalsContact O-CB 3.25Å; V529-S532 WeakPolarHBondContact O-CB 3.41Å; V529-S532 PolarHBondContact O-N 2.05Å; V529-S532 PolarHBondContact O-OG 2.63Å |
| 530 | P | 83.9 | Confident | 74.7 | Confident | 64 Ų | 64 | 37.9 Ų | 37.9 | 42% | 0.416 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 126.6 | -176.2 | -29.3 | 32.9 | 0 | 0 | 0 | 112.1 | S532 H620 | P530-S532 PolarHBondContact O-N 2.75Å; P530-H620 HydrophobicContact CB-CB 4.49Å |
| 531 | H | 85.8 | Confident | 77.4 | Confident | 29 Ų | 29 | 32.4 Ų | 32.4 | 13% | 0.134 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 14.1 | -179.7 | -44.2 | -66.1 | 0 | 0 | 0 | 116.8 | F510 V529 H533 G618 E626 T628 Y665 | F510-H531 HydrophobicContact CD2-CB 3.82Å; F510-H531 HydrophobicContact CE2-CB 4.06Å; V529-H531 PolarHBondContact O-N 3.04Å; H531-H533 PolarHBondContact O-N 3.25Å; H531-G618 PolarHBondContact CE1-O 3.07Å; H531-E626 IonicContact CE1-OE2 3.45Å; H531-T628 PolarHBondContact CE1-OG1 2.93Å; H531-T628 VanDerWaalsContact CE1-OG1 3.3Å; H531-Y665 HydrophobicContact CB-CD1 3.79Å; H531-Y665 AromaticContact CD2-CD1 3.46Å; H531-Y665 VanDerWaalsContact CD2-CD1 3.46Å; H531-Y665 WeakPolarHBondContact CD2-CD1 3.31Å; H531-Y665 AromaticContact CD2-CE1 3.76Å; H531-Y665 AromaticContact CG-CD1 3.47Å; H531-Y665 VanDerWaalsContact CG-CD1 3.47Å |
| 532 | S | 88.3 | Confident | 79.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -69.6 | -17.8 | 176.2 | 58.2 | 0 | 0 | 0 | 0 | 115.3 | P508 F510 P512 V529 P530 P534 | P508-S532 VanDerWaalsContact CB-O 3.29Å; P508-S532 WeakPolarHBondContact CB-O 3.38Å; F510-S532 WeakPolarHBondContact O-CA 3.44Å; F510-S532 VanDerWaalsContact O-CB 3.28Å; F510-S532 WeakPolarHBondContact O-CB 3.42Å; P512-S532 WeakPolarHBondContact CG-O 3.28Å; V529-S532 VanDerWaalsContact O-CB 3.25Å; V529-S532 WeakPolarHBondContact O-CB 3.41Å; V529-S532 PolarHBondContact O-N 2.05Å; V529-S532 PolarHBondContact O-OG 2.63Å; P530-S532 PolarHBondContact O-N 2.75Å; S532-P534 WeakPolarHBondContact O-CD 3.12Å |
| 533 | H | 92.1 | Very high | 81.5 | Confident | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.028 | 14% | 0.14 | C | C | . | . | trans | -113.6 | 71.9 | 172.8 | -63.4 | -93.9 | 0 | 0 | 0 | 110.5 | H531 W535 Q536 T688 L702 Q704 | H531-H533 PolarHBondContact O-N 3.25Å; H533-W535 AromaticContact ND1-CZ2 3.99Å; H533-W535 AromaticContact ND1-NE1 3.96Å; H533-W535 PolarHBondContact O-N 3.28Å; H533-W535 VanDerWaalsContact O-N 3.09Å; H533-Q536 HydrophobicContact CB-CB 4.31Å; H533-Q536 VanDerWaalsContact O-CB 3.25Å; H533-Q536 WeakPolarHBondContact O-CB 3.23Å; H533-Q536 PolarHBondContact O-N 3.49Å; H533-T688 HydrophobicContact CB-CG2 4.45Å; H533-L702 HydrophobicContact CB-CD2 4.39Å; H533-Q704 PolarHBondContact CD2-OE1 3.05Å; H533-Q704 PolarHBondContact NE2-OE1 2.7Å | ||
| 534 | P | 91.6 | Very high | 82.7 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.9 | -169.1 | 30.7 | -39.2 | 0 | 0 | 0 | 114.1 | P508 S532 Y665 I666 Q667 | P508-P534 HydrophobicContact CB-CG 3.77Å; S532-P534 WeakPolarHBondContact O-CD 3.12Å; P534-Y665 WeakPolarHBondContact CA-O 3.41Å; P534-Y665 WeakPolarHBondContact CB-O 3.27Å; P534-I666 WeakPolarHBondContact O-CA 3.5Å; P534-Q667 CarbonylContact C-O 3.5Å; P534-Q667 HydrophobicContact CB-CB 3.96Å; P534-Q667 HydrophobicContact CB-CG 4.02Å; P534-Q667 HydrophobicContact CG-CB 3.86Å; P534-Q667 HydrophobicContact CG-CG 4.09Å; P534-Q667 PolarHBondContact O-N 2.71Å; P534-Q667 VanDerWaalsContact O-N 3.11Å |
| 535 | W | 94.1 | Very high | 84 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -9.9 | 173.6 | 44.9 | 75.4 | 0 | 0 | 0 | 114 | P508 H533 A537 L554 Q667 I669 A744 Y751 | P508-W535 HydrophobicContact CB-CH2 4.16Å; P508-W535 HydrophobicContact CB-CZ3 4.18Å; P508-W535 HydrophobicContact CG-CH2 3.88Å; P508-W535 HydrophobicContact CG-CZ3 4.25Å; H533-W535 AromaticContact ND1-CZ2 3.99Å; H533-W535 AromaticContact ND1-NE1 3.96Å; H533-W535 PolarHBondContact O-N 3.28Å; H533-W535 VanDerWaalsContact O-N 3.09Å; W535-A537 PolarHBondContact O-N 3.21Å; W535-L554 HydrophobicContact CB-CB 4.46Å; W535-L554 PolarHBondContact O-N 3.45Å; W535-Q667 WeakPolarHBondContact CA-O 3.13Å; W535-Q667 VanDerWaalsContact CB-O 3.29Å; W535-Q667 WeakPolarHBondContact CB-O 3.3Å; W535-Q667 PolarHBondContact N-O 3.26Å; W535-I669 HydrophobicContact CB-CB 3.89Å; W535-I669 HydrophobicContact CB-CG2 4.33Å; W535-I669 HydrophobicContact CD2-CB 3.77Å; W535-I669 HydrophobicContact CD2-CD1 4.07Å; W535-I669 HydrophobicContact CD2-CG1 4.1Å; W535-I669 HydrophobicContact CE3-CB 4.02Å; W535-I669 HydrophobicContact CE3-CG1 4.32Å; W535-I669 HydrophobicContact CG-CB 3.71Å; W535-I669 HydrophobicContact CG-CD1 4.28Å; W535-I669 HydrophobicContact CG-CG1 4.4Å; W535-I669 HydrophobicContact CG-CG2 4.4Å; W535-I669 HydrophobicContact CZ2-CD1 4.33Å; W535-A744 HydrophobicContact CZ2-CB 4.34Å; W535-Y751 VanDerWaalsContact CH2-CB 3.45Å; W535-Y751 HydrophobicContact CH2-CD1 4.41Å; W535-Y751 AromaticContact CH2-CD2 3.7Å; W535-Y751 HydrophobicContact CH2-CD2 3.7Å; W535-Y751 AromaticContact CH2-CG 3.59Å; W535-Y751 HydrophobicContact CH2-CG 3.59Å; W535-Y751 HydrophobicContact CZ2-CD1 4.31Å; W535-Y751 HydrophobicContact CZ2-CD2 4.38Å; W535-Y751 AromaticContact CZ2-CG 3.91Å; W535-Y751 HydrophobicContact CZ2-CG 3.91Å |
| 536 | Q | 95.1 | Very high | 85 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 121.1 | -177.6 | -177.1 | 67 | 45.9 | 0 | 0 | 110.7 | H533 T688 W690 L702 | H533-Q536 HydrophobicContact CB-CB 4.31Å; H533-Q536 VanDerWaalsContact O-CB 3.25Å; H533-Q536 WeakPolarHBondContact O-CB 3.23Å; H533-Q536 PolarHBondContact O-N 3.49Å; Q536-T688 PolarHBondContact OE1-O 3.36Å; Q536-T688 PolarHBondContact OE1-OG1 2.86Å; Q536-W690 HydrophobicContact CG-CH2 3.57Å; Q536-W690 HydrophobicContact CG-CZ3 3.62Å; Q536-L702 HydrophobicContact CB-CD2 4.38Å; Q536-L702 HydrophobicContact CG-CD1 3.91Å; Q536-L702 HydrophobicContact CG-CD2 4.15Å |
| 537 | A | 94.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 138.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | W535 I539 G552 V566 V615 F617 | W535-A537 PolarHBondContact O-N 3.21Å; A537-I539 HydrophobicContact CB-CG1 4.33Å; A537-G552 VanDerWaalsContact CB-C 3.49Å; A537-G552 WeakPolarHBondContact CB-O 3.19Å; A537-G552 PolarHBondContact N-O 2.73Å; A537-G552 PolarHBondContact O-N 3.16Å; A537-G552 VanDerWaalsContact O-N 3.12Å; A537-V566 HydrophobicContact CB-CG1 3.94Å; A537-V615 HydrophobicContact CB-CG1 4.06Å; A537-F617 HydrophobicContact CB-CD1 4.09Å; A537-F617 HydrophobicContact CB-CE1 3.4Å; A537-F617 HydrophobicContact CB-CZ 4.01Å |
| 538 | L | 94.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.1 | 164.5 | 174.1 | 67.4 | 0 | 0 | 0 | 108.6 | Y540 K549 V615 Y616 I622 W690 | L538-Y540 HydrophobicContact CD1-CE2 4.42Å; L538-Y540 HydrophobicContact CD2-CD2 4.47Å; L538-Y540 HydrophobicContact CD2-CE2 3.65Å; L538-Y540 HydrophobicContact CG-CD2 4.39Å; L538-Y540 HydrophobicContact CG-CE2 3.95Å; L538-K549 HydrophobicContact CD1-CD 3.95Å; L538-K549 HydrophobicContact CD1-CG 3.7Å; L538-V615 WeakPolarHBondContact O-CA 3.37Å; L538-Y616 PolarHBondContact N-O 2.8Å; L538-Y616 PolarHBondContact O-N 3.35Å; L538-I622 HydrophobicContact CD2-CG2 3.66Å; L538-W690 HydrophobicContact CB-CE3 4.42Å; L538-W690 HydrophobicContact CB-CH2 3.96Å; L538-W690 HydrophobicContact CB-CZ3 3.76Å; L538-W690 HydrophobicContact CD1-CD2 4.38Å; L538-W690 HydrophobicContact CD1-CE3 3.83Å; L538-W690 HydrophobicContact CD1-CZ3 4.04Å; L538-W690 HydrophobicContact CG-CZ3 4.46Å |
| 539 | I | 94.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.4 | -177.5 | -53.2 | 179.7 | 0 | 0 | 0 | 108.7 | A537 V541 C550 G551 V566 T568 V613 V615 L654 | A537-I539 HydrophobicContact CB-CG1 4.33Å; I539-V541 HydrophobicContact CG2-CG2 3.89Å; I539-C550 HydrophobicContact CB-CB 4.28Å; I539-C550 PolarHBondContact N-O 3.48Å; I539-C550 PolarHBondContact O-N 3.48Å; I539-G551 WeakPolarHBondContact CD1-O 3.11Å; I539-V566 HydrophobicContact CD1-CG1 4.39Å; I539-T568 HydrophobicContact CD1-CG2 4.03Å; I539-V613 HydrophobicContact CG2-CG1 3.76Å; I539-V615 HydrophobicContact CG1-CG1 4.46Å; I539-V615 HydrophobicContact CG1-CG2 4.3Å; I539-L654 HydrophobicContact CD1-CD1 3.72Å; I539-L654 HydrophobicContact CG2-CD1 4.45Å |
| 540 | Y | 91.7 | Very high | 86.5 | Confident | 39 Ų | 39 | 38.2 Ų | 38.2 | 15% | 0.153 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.4 | 168.7 | -74.6 | -65.7 | 0 | 0 | 0 | 110 | L538 K547 Y548 K549 V613 K614 Y616 | L538-Y540 HydrophobicContact CD1-CE2 4.42Å; L538-Y540 HydrophobicContact CD2-CD2 4.47Å; L538-Y540 HydrophobicContact CD2-CE2 3.65Å; L538-Y540 HydrophobicContact CG-CD2 4.39Å; L538-Y540 HydrophobicContact CG-CE2 3.95Å; Y540-K547 HydrophobicContact CD1-CD 3.95Å; Y540-K547 HydrophobicContact CD1-CG 3.98Å; Y540-K547 HydrophobicContact CE1-CD 4.41Å; Y540-K547 HydrophobicContact CG-CD 4.38Å; Y540-Y548 WeakPolarHBondContact CA-O 3.43Å; Y540-K549 HydrophobicContact CD1-CB 4.34Å; Y540-K549 HydrophobicContact CE1-CB 4.12Å; Y540-K549 HydrophobicContact CE1-CD 4.43Å; Y540-K549 HydrophobicContact CE1-CG 4.09Å; Y540-V613 WeakPolarHBondContact O-CA 3.38Å; Y540-K614 PolarHBondContact N-O 3.35Å; Y540-K614 PolarHBondContact O-N 2.84Å; Y540-Y616 HydrophobicContact CD2-CD2 4.07Å; Y540-Y616 AromaticContact CD2-CE2 3.8Å; Y540-Y616 HydrophobicContact CD2-CE2 3.8Å; Y540-Y616 HydrophobicContact CE2-CE2 4.39Å |
| 541 | V | 87.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.4 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | I539 I543 K547 Y548 C572 V573 A608 V613 | I539-V541 HydrophobicContact CG2-CG2 3.89Å; V541-I543 HydrophobicContact CG1-CD1 3.78Å; V541-I543 HydrophobicContact CG1-CG1 3.98Å; V541-K547 CarbonylContact O-C 3.52Å; V541-K547 WeakPolarHBondContact O-CA 3.22Å; V541-Y548 PolarHBondContact N-O 3.29Å; V541-Y548 PolarHBondContact O-N 2.81Å; V541-C572 VanDerWaalsContact CG2-O 3.25Å; V541-C572 WeakPolarHBondContact CG2-O 3.28Å; V541-V573 HydrophobicContact CG2-CG1 4.34Å; V541-A608 HydrophobicContact CG1-CB 3.52Å; V541-V613 HydrophobicContact CG1-CG2 4.22Å; V541-V613 HydrophobicContact CG2-CG1 4.2Å; V541-V613 HydrophobicContact CG2-CG2 4.05Å |
| 542 | T | 85.8 | Confident | 87.2 | Confident | 42 Ų | 42 | 33.8 Ų | 33.8 | 26% | 0.258 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 110.9 | -179.9 | -47.2 | 0 | 0 | 0 | 0 | 109.5 | R546 D612 | T542-R546 CarbonylContact C-O 3.57Å; T542-R546 WeakPolarHBondContact CA-O 3.42Å; T542-D612 PolarHBondContact N-O 3.16Å; T542-D612 WeakPolarHBondContact O-CB 3.12Å |
| 543 | I | 75.2 | Confident | 87.6 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.046 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.4 | 178.2 | -66.2 | 153 | 0 | 0 | 0 | 107.4 | V541 G545 R546 Y548 I574 D575 A608 | V541-I543 HydrophobicContact CG1-CD1 3.78Å; V541-I543 HydrophobicContact CG1-CG1 3.98Å; I543-G545 PolarHBondContact O-N 2.94Å; I543-R546 PolarHBondContact N-O 3.19Å; I543-R546 WeakPolarHBondContact O-CA 3.4Å; I543-R546 WeakPolarHBondContact O-CB 3.36Å; I543-R546 PolarHBondContact O-N 3.44Å; I543-R546 VanDerWaalsContact O-O 3.14Å; I543-Y548 HydrophobicContact CB-CE2 4.11Å; I543-Y548 HydrophobicContact CD1-CD2 4.22Å; I543-Y548 HydrophobicContact CD1-CE2 4.29Å; I543-I574 WeakPolarHBondContact CD1-O 3.29Å; I543-D575 HydrophobicContact CG2-CB 4.32Å; I543-D575 WeakPolarHBondContact CG2-OD1 3.4Å; I543-A608 HydrophobicContact CD1-CB 4.39Å; I543-A608 HydrophobicContact CG1-CB 4.2Å |
| 544 | N | 69.5 | Low | 87.7 | Confident | 118 Ų | 118 | 33.5 Ų | 33.5 | 63% | 0.631 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 34.3 | -178.8 | -60.6 | -38.3 | 0 | 0 | 0 | 115 | R546 D577 | N544-R546 PolarHBondContact O-N 3.05Å; N544-D577 VanDerWaalsContact ND2-CB 3.32Å; N544-D577 WeakPolarHBondContact ND2-CB 3.24Å; N544-D577 PolarHBondContact ND2-OD2 3.1Å; N544-D577 VanDerWaalsContact ND2-OD2 3.11Å |
| 545 | G | 73.1 | Confident | 87.7 | Confident | 69 Ų | 69 | 33.3 Ų | 33.3 | 71% | 0.711 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -8.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I543 | I543-G545 PolarHBondContact O-N 2.94Š|
| 546 | R | 75.9 | Confident | 87.1 | Confident | 160 Ų | 160 | 33.9 Ų | 33.9 | 60% | 0.604 | 17% | 0.172 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.9 | 168.7 | -65.9 | -178.1 | 176.7 | -179.6 | -0.6 | 109.6 | T542 I543 N544 Y548 | T542-R546 CarbonylContact C-O 3.57Å; T542-R546 WeakPolarHBondContact CA-O 3.42Å; I543-R546 PolarHBondContact N-O 3.19Å; I543-R546 WeakPolarHBondContact O-CA 3.4Å; I543-R546 WeakPolarHBondContact O-CB 3.36Å; I543-R546 PolarHBondContact O-N 3.44Å; I543-R546 VanDerWaalsContact O-O 3.14Å; N544-R546 PolarHBondContact O-N 3.05Å; R546-Y548 HydrophobicContact CB-CE2 3.9Å |
| 547 | K | 81.5 | Confident | 86.1 | Confident | 120 Ų | 120 | 34.9 Ų | 34.9 | 52% | 0.522 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 109.6 | -176.1 | -168.3 | -172.7 | -174 | -147.4 | 0 | 109.4 | Y540 V541 | Y540-K547 HydrophobicContact CD1-CD 3.95Å; Y540-K547 HydrophobicContact CD1-CG 3.98Å; Y540-K547 HydrophobicContact CE1-CD 4.41Å; Y540-K547 HydrophobicContact CG-CD 4.38Å; V541-K547 CarbonylContact O-C 3.52Å; V541-K547 WeakPolarHBondContact O-CA 3.22Å |
| 548 | Y | 83.5 | Confident | 84.5 | Confident | 84 Ų | 84 | 39 Ų | 39 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 148.4 | 176.4 | -56.4 | -81.9 | 0 | 0 | 0 | 110.3 | Y540 V541 I543 R546 | Y540-Y548 WeakPolarHBondContact CA-O 3.43Å; V541-Y548 PolarHBondContact N-O 3.29Å; V541-Y548 PolarHBondContact O-N 2.81Å; I543-Y548 HydrophobicContact CB-CE2 4.11Å; I543-Y548 HydrophobicContact CD1-CD2 4.22Å; I543-Y548 HydrophobicContact CD1-CE2 4.29Å; R546-Y548 HydrophobicContact CB-CE2 3.9Å |
| 549 | K | 87.1 | Confident | 82.4 | Confident | 39 Ų | 39 | 43.3 Ų | 43.3 | 17% | 0.17 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.1 | 179.8 | -176.3 | -178.9 | 70.2 | -173.1 | 0 | 108.5 | L538 Y540 I622 W690 | L538-K549 HydrophobicContact CD1-CD 3.95Å; L538-K549 HydrophobicContact CD1-CG 3.7Å; Y540-K549 HydrophobicContact CD1-CB 4.34Å; Y540-K549 HydrophobicContact CE1-CB 4.12Å; Y540-K549 HydrophobicContact CE1-CD 4.43Å; Y540-K549 HydrophobicContact CE1-CG 4.09Å; K549-I622 HydrophobicContact CD-CD1 4.28Å; K549-W690 HydrophobicContact CD-CB 4.22Å; K549-W690 WeakPolarHBondContact CE-O 3.44Å; K549-W690 PolarHBondContact NZ-O 3.03Å |
| 550 | C | 90.5 | Very high | 80.5 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 159.7 | 175.8 | -83.5 | 0 | 0 | 0 | 0 | 111.5 | I539 C572 | I539-C550 HydrophobicContact CB-CB 4.28Å; I539-C550 PolarHBondContact N-O 3.48Å; I539-C550 PolarHBondContact O-N 3.48Å; C550-C572 HydrophobicContact CB-CB 3.69Å; C550-C572 WeakPolarHBondContact CB-SG 3.43Å; C550-C572 VanDerWaalsContact SG-CA 3.59Å; C550-C572 WeakPolarHBondContact SG-CB 3.32Å; C550-C572 CovalentContact SG-SG 2.04Å; C550-C572 PolarHBondContact SG-SG 2.86Å |
| 551 | G | 91.4 | Very high | 78.7 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 166.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.8 | I539 T568 S739 G740 | I539-G551 WeakPolarHBondContact CD1-O 3.11Å; G551-T568 PolarHBondContact O-OG1 3.29Å; G551-S739 PolarHBondContact N-O 3.45Å; G551-G740 VanDerWaalsContact C-C 3.45Å; G551-G740 CarbonylContact C-O 3.32Å; G551-G740 CarbonylContact O-C 3.6Å; G551-G740 VanDerWaalsContact O-C 3.29Å |
| 552 | G | 94.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 171.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A537 L567 G740 | A537-G552 VanDerWaalsContact CB-C 3.49Å; A537-G552 WeakPolarHBondContact CB-O 3.19Å; A537-G552 PolarHBondContact N-O 2.73Å; A537-G552 PolarHBondContact O-N 3.16Å; A537-G552 VanDerWaalsContact O-N 3.12Å; G552-L567 CarbonylContact C-O 3.52Å; G552-L567 VanDerWaalsContact CA-O 3.24Å; G552-L567 WeakPolarHBondContact CA-O 3.13Å; G552-G740 VanDerWaalsContact CA-O 3.29Å; G552-G740 WeakPolarHBondContact CA-O 3.43Å; G552-G740 PolarHBondContact N-O 2.6Å |
| 553 | S | 96.2 | Very high | 77.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 120.6 | -177.3 | -51.1 | 0 | 0 | 0 | 0 | 110.3 | I555 V566 L567 P742 | S553-I555 PolarHBondContact O-N 3.23Å; S553-V566 WeakPolarHBondContact O-CA 2.92Å; S553-L567 PolarHBondContact N-O 3.04Å; S553-L567 PolarHBondContact O-N 3.44Å; S553-P742 VanDerWaalsContact OG-CB 3.31Å; S553-P742 WeakPolarHBondContact OG-CB 3.15Å |
| 554 | L | 94.8 | Very high | 77.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 111.6 | 167.6 | -174.7 | 56.8 | 0 | 0 | 0 | 108.9 | W535 F617 V660 Y662 I666 G668 I669 | W535-L554 HydrophobicContact CB-CB 4.46Å; W535-L554 PolarHBondContact O-N 3.45Å; L554-F617 HydrophobicContact CB-CD1 4.29Å; L554-F617 HydrophobicContact CB-CE1 3.62Å; L554-F617 HydrophobicContact CB-CZ 4.08Å; L554-F617 HydrophobicContact CD1-CE1 4.38Å; L554-F617 HydrophobicContact CD1-CZ 4Å; L554-F617 HydrophobicContact CD2-CD1 4.31Å; L554-F617 HydrophobicContact CD2-CE1 4.2Å; L554-F617 HydrophobicContact CD2-CZ 4.42Å; L554-F617 HydrophobicContact CG-CE1 4.3Å; L554-F617 HydrophobicContact CG-CZ 4.4Å; L554-V660 HydrophobicContact CD1-CB 4.34Å; L554-V660 HydrophobicContact CD1-CG2 3.97Å; L554-V660 HydrophobicContact CD2-CB 4.1Å; L554-V660 HydrophobicContact CD2-CG1 3.86Å; L554-V660 HydrophobicContact CD2-CG2 4.36Å; L554-Y662 HydrophobicContact CD2-CD1 4.33Å; L554-Y662 HydrophobicContact CD2-CE1 3.62Å; L554-Y662 HydrophobicContact CG-CE1 4.21Å; L554-I666 HydrophobicContact CD2-CG2 3.92Å; L554-G668 WeakPolarHBondContact O-CA 3.42Å; L554-I669 PolarHBondContact O-N 3.44Å |
| 555 | I | 91.3 | Very high | 78.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -91.7 | 135.4 | -178.6 | 55.8 | 165.7 | 0 | 0 | 0 | 110.5 | S553 W557 S563 L565 L567 L671 L753 M785 | S553-I555 PolarHBondContact O-N 3.23Å; I555-W557 HydrophobicContact CD1-CB 4.35Å; I555-W557 HydrophobicContact CD1-CE3 4.11Å; I555-W557 PolarHBondContact O-N 2.67Å; I555-S563 WeakPolarHBondContact O-CB 3.37Å; I555-S563 PolarHBondContact O-OG 3.28Å; I555-L565 HydrophobicContact CD1-CB 3.87Å; I555-L565 HydrophobicContact CD1-CD1 4.36Å; I555-L565 HydrophobicContact CG1-CB 3.76Å; I555-L565 WeakPolarHBondContact CG1-O 3.42Å; I555-L565 PolarHBondContact N-O 2.92Å; I555-L567 HydrophobicContact CD1-CD1 4.42Å; I555-L567 HydrophobicContact CD1-CG 4.13Å; I555-L567 HydrophobicContact CG2-CB 4.26Å; I555-L567 HydrophobicContact CG2-CD1 3.7Å; I555-L567 HydrophobicContact CG2-CG 3.8Å; I555-L671 HydrophobicContact CB-CD2 4.34Å; I555-L671 HydrophobicContact CB-CG 4.46Å; I555-L671 HydrophobicContact CD1-CD1 4.36Å; I555-L671 HydrophobicContact CG2-CD2 3.88Å; I555-L753 HydrophobicContact CG2-CD2 3.95Å; I555-M785 HydrophobicContact CD1-CE 3.5Å |
| 556 | D | 81.4 | Confident | 79.8 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.064 | 17% | 0.174 | C | C | . | . | trans | -80.1 | 102.5 | 165.9 | -162.5 | -24.8 | 0 | 0 | 0 | 108.4 | C505 H560 I669 | C505-D556 HydrophobicContact CB-CB 3.72Å; C505-D556 WeakPolarHBondContact CB-OD2 3.38Å; D556-H560 PolarHBondContact OD1-N 3.3Å; D556-H560 VanDerWaalsContact OD1-N 3.16Å; D556-I669 PolarHBondContact N-O 2.93Å | ||
| 557 | W | 74.1 | Confident | 80.7 | Confident | 27 Ų | 27 | 30 Ų | 30 | 10% | 0.102 | 15% | 0.145 | C | C | . | . | trans | -103.4 | 127.8 | -174.9 | -177.4 | -96.1 | 0 | 0 | 0 | 110.7 | I555 D559 L565 L671 M785 R786 I789 | I555-W557 HydrophobicContact CD1-CB 4.35Å; I555-W557 HydrophobicContact CD1-CE3 4.11Å; I555-W557 PolarHBondContact O-N 2.67Å; W557-D559 VanDerWaalsContact C-N 3.28Å; W557-D559 PolarHBondContact O-N 3.16Å; W557-L565 HydrophobicContact CB-CD1 3.89Å; W557-L565 HydrophobicContact CD2-CD1 4.3Å; W557-L565 HydrophobicContact CG-CD1 3.75Å; W557-L671 HydrophobicContact CE3-CD1 3.48Å; W557-L671 VanDerWaalsContact CE3-CD1 3.48Å; W557-L671 HydrophobicContact CZ3-CD1 3.68Å; W557-M785 HydrophobicContact CE3-CE 3.84Å; W557-M785 HydrophobicContact CH2-CB 3.66Å; W557-M785 HydrophobicContact CH2-CE 4.42Å; W557-M785 HydrophobicContact CZ3-CB 3.87Å; W557-M785 HydrophobicContact CZ3-CE 3.52Å; W557-M785 HydrophobicContact CZ3-SD 4.34Å; W557-R786 HydrophobicContact CH2-CB 4.48Å; W557-R786 HydrophobicContact CH2-CG 3.75Å; W557-R786 HydrophobicContact CZ2-CG 4.08Å; W557-I789 HydrophobicContact CD2-CD1 3.7Å; W557-I789 VanDerWaalsContact CE2-CD1 3.48Å; W557-I789 HydrophobicContact CE3-CD1 3.86Å; W557-I789 HydrophobicContact CG-CD1 4.46Å; W557-I789 HydrophobicContact CH2-CD1 3.65Å; W557-I789 HydrophobicContact CZ2-CB 4.35Å; W557-I789 HydrophobicContact CZ2-CD1 3.46Å; W557-I789 VanDerWaalsContact CZ2-CD1 3.46Å; W557-I789 HydrophobicContact CZ2-CG1 4.47Å; W557-I789 HydrophobicContact CZ3-CD1 3.85Å | ||
| 558 | N | 59.5 | Low | 81.3 | Confident | 87 Ų | 87 | 24.2 Ų | 24.2 | 47% | 0.465 | 12% | 0.121 | S | C | . | . | S | Bend | trans | 57.7 | 35.3 | -177.5 | -65.7 | -19 | 0 | 0 | 0 | 114.1 | H560 | N558-H560 VanDerWaalsContact C-N 3.3Å; N558-H560 PolarHBondContact O-N 2.85Å |
| 559 | D | 51.2 | Low | 81.7 | Confident | 91 Ų | 91 | 20.2 Ų | 20.2 | 49% | 0.487 | 11% | 0.105 | S | C | . | . | S | Bend | trans | 58.2 | 38.8 | 170.8 | -48.6 | -42.8 | 0 | 0 | 0 | 113.4 | W557 | W557-D559 VanDerWaalsContact C-N 3.28Å; W557-D559 PolarHBondContact O-N 3.16Å |
| 560 | H | 53 | Low | 81.8 | Confident | 69 Ų | 69 | 18.4 Ų | 18.4 | 32% | 0.319 | 10% | 0.097 | S | C | . | . | trans | -101.6 | 132.3 | 179 | -71 | -49.2 | 0 | 0 | 0 | 110.1 | D556 N558 S562 | D556-H560 PolarHBondContact OD1-N 3.3Å; D556-H560 VanDerWaalsContact OD1-N 3.16Å; N558-H560 VanDerWaalsContact C-N 3.3Å; N558-H560 PolarHBondContact O-N 2.85Å; H560-S562 PolarHBondContact O-N 3.38Å | ||
| 561 | N | 54 | Low | 81.6 | Confident | 34 Ų | 34 | 20.6 Ų | 20.6 | 18% | 0.182 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -64.4 | 18.7 | 177.2 | -164.8 | 57.8 | 0 | 0 | 0 | 115.8 | D269 K360 Y662 | D269-N561 PolarHBondContact OD2-ND2 3.26Å; K360-N561 WeakPolarHBondContact CE-ND2 3.45Å; K360-N561 WeakPolarHBondContact CE-OD1 3.39Å; K360-N561 PolarHBondContact NZ-ND2 2.68Å; K360-N561 PolarHBondContact NZ-OD1 3.3Å; N561-Y662 WeakPolarHBondContact O-CD2 3.31Å |
| 562 | S | 61.7 | Low | 81.5 | Confident | 20 Ų | 20 | 20.9 Ų | 20.9 | 14% | 0.14 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -167.2 | 136.9 | 175 | 61.2 | 0 | 0 | 0 | 0 | 108.1 | H560 K659 V660 | H560-S562 PolarHBondContact O-N 3.38Å; S562-K659 WeakPolarHBondContact OG-CD 3.29Å; S562-V660 VanDerWaalsContact CB-O 3.31Å; S562-V660 WeakPolarHBondContact CB-O 3.48Å |
| 563 | S | 78.6 | Confident | 81.1 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 4% | 0.035 | 11% | 0.108 | C | C | . | . | trans | -127.7 | 151.5 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | I555 L565 V660 Y662 | I555-S563 WeakPolarHBondContact O-CB 3.37Å; I555-S563 PolarHBondContact O-OG 3.28Å; S563-L565 PolarHBondContact OG-N 3.03Å; S563-L565 VanDerWaalsContact OG-N 3.16Å; S563-V660 WeakPolarHBondContact O-CB 3.42Å; S563-V660 WeakPolarHBondContact O-CG2 3.32Å; S563-V660 PolarHBondContact O-N 3.23Å; S563-Y662 WeakPolarHBondContact CB-OH 2.97Å | ||
| 564 | D | 85.8 | Confident | 80.2 | Confident | 24 Ų | 24 | 21.2 Ų | 21.2 | 13% | 0.128 | 11% | 0.11 | C | C | . | . | trans | -114.4 | 18.6 | 171.4 | 53.3 | 14.6 | 0 | 0 | 0 | 112.1 | K655 L656 K659 | D564-K655 VanDerWaalsContact CG-CE 3.48Å; D564-K655 IonicContact OD1-NZ 3.63Å; D564-K655 PolarHBondContact OD1-NZ 3.27Å; D564-K655 WeakPolarHBondContact OD2-CE 3.45Å; D564-K655 IonicContact OD2-NZ 3.6Å; D564-K655 PolarHBondContact OD2-NZ 3.26Å; D564-L656 HydrophobicContact CB-CB 4.15Å; D564-L656 WeakPolarHBondContact O-CB 3.41Å; D564-L656 WeakPolarHBondContact O-CG 3.46Å; D564-L656 PolarHBondContact O-N 3.1Å; D564-K659 HydrophobicContact CB-CG 4.14Å | ||
| 565 | L | 92.8 | Very high | 79.2 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.2 | -176.5 | -60.2 | 178.4 | 0 | 0 | 0 | 111.2 | I555 W557 S563 I653 K655 I789 | I555-L565 HydrophobicContact CD1-CB 3.87Å; I555-L565 HydrophobicContact CD1-CD1 4.36Å; I555-L565 HydrophobicContact CG1-CB 3.76Å; I555-L565 WeakPolarHBondContact CG1-O 3.42Å; I555-L565 PolarHBondContact N-O 2.92Å; W557-L565 HydrophobicContact CB-CD1 3.89Å; W557-L565 HydrophobicContact CD2-CD1 4.3Å; W557-L565 HydrophobicContact CG-CD1 3.75Å; S563-L565 PolarHBondContact OG-N 3.03Å; S563-L565 VanDerWaalsContact OG-N 3.16Å; L565-I653 HydrophobicContact CD2-CG2 4.04Å; L565-K655 HydrophobicContact CD2-CD 3.54Å; L565-I789 HydrophobicContact CD1-CD1 3.79Å; L565-I789 HydrophobicContact CD1-CG1 4.17Å; L565-I789 HydrophobicContact CD1-CG2 3.85Å |
| 566 | V | 95.6 | Very high | 77.9 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.2 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | A537 I539 S553 V615 F617 I653 L654 L656 | A537-V566 HydrophobicContact CB-CG1 3.94Å; I539-V566 HydrophobicContact CD1-CG1 4.39Å; S553-V566 WeakPolarHBondContact O-CA 2.92Å; V566-V615 HydrophobicContact CG2-CG1 4.38Å; V566-F617 HydrophobicContact CG2-CE2 4.41Å; V566-F617 HydrophobicContact CG2-CZ 3.65Å; V566-I653 WeakPolarHBondContact O-CA 3.31Å; V566-L654 HydrophobicContact CB-CB 4.19Å; V566-L654 PolarHBondContact N-O 2.87Å; V566-L654 PolarHBondContact O-N 2.93Å; V566-L656 HydrophobicContact CG2-CD1 3.86Å; V566-L656 HydrophobicContact CG2-CD2 4.02Å; V566-L656 HydrophobicContact CG2-CG 4.01Å |
| 567 | L | 95.1 | Very high | 77 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 137 | 168.6 | -71.8 | -177.8 | 0 | 0 | 0 | 110.4 | G552 S553 I555 I651 I653 L671 L753 I756 M785 | G552-L567 CarbonylContact C-O 3.52Å; G552-L567 VanDerWaalsContact CA-O 3.24Å; G552-L567 WeakPolarHBondContact CA-O 3.13Å; S553-L567 PolarHBondContact N-O 3.04Å; S553-L567 PolarHBondContact O-N 3.44Å; I555-L567 HydrophobicContact CD1-CD1 4.42Å; I555-L567 HydrophobicContact CD1-CG 4.13Å; I555-L567 HydrophobicContact CG2-CB 4.26Å; I555-L567 HydrophobicContact CG2-CD1 3.7Å; I555-L567 HydrophobicContact CG2-CG 3.8Å; L567-I651 HydrophobicContact CD2-CD1 4.18Å; L567-I651 HydrophobicContact CD2-CG1 4.29Å; L567-I653 HydrophobicContact CD2-CG1 3.71Å; L567-L671 HydrophobicContact CD1-CD2 4.32Å; L567-L753 HydrophobicContact CD1-CD2 3.97Å; L567-I756 HydrophobicContact CB-CD1 3.96Å; L567-I756 HydrophobicContact CD1-CD1 4.31Å; L567-M785 HydrophobicContact CD1-CE 3.86Å; L567-M785 HydrophobicContact CD1-SD 4.15Å; L567-M785 HydrophobicContact CD2-CE 3.95Å; L567-M785 HydrophobicContact CD2-SD 4.37Å; L567-M785 HydrophobicContact CG-CE 4.22Å |
| 568 | T | 95 | Very high | 76.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 179.1 | 174.1 | -172 | 0 | 0 | 0 | 0 | 109.3 | I539 G551 I651 A652 L654 | I539-T568 HydrophobicContact CD1-CG2 4.03Å; G551-T568 PolarHBondContact O-OG1 3.29Å; T568-I651 CarbonylContact O-C 3.2Å; T568-I651 WeakPolarHBondContact O-CA 3.3Å; T568-A652 HydrophobicContact CG2-CB 4.19Å; T568-A652 PolarHBondContact N-O 3.37Å; T568-A652 PolarHBondContact O-N 2.8Å; T568-L654 HydrophobicContact CG2-CD1 4.06Å; T568-L654 HydrophobicContact CG2-CD2 4.36Å; T568-L654 HydrophobicContact CG2-CG 4.07Å |
| 569 | A | 91.8 | Very high | 75.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -75.4 | 148.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | C572 I756 | A569-C572 WeakPolarHBondContact O-CB 3.21Å; A569-C572 PolarHBondContact O-N 2.89Å; A569-I756 HydrophobicContact CB-CG2 4.4Å | ||
| 570 | A | 88.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -65.8 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C572 V573 I574 F642 D650 | A570-C572 PolarHBondContact O-N 3.43Å; A570-C572 VanDerWaalsContact O-N 3.09Å; A570-V573 VanDerWaalsContact O-CG2 3.25Å; A570-V573 WeakPolarHBondContact O-CG2 3.24Å; A570-V573 PolarHBondContact O-N 3.15Å; A570-I574 HydrophobicContact CB-CD1 4.34Å; A570-I574 WeakPolarHBondContact O-CG1 3.36Å; A570-I574 PolarHBondContact O-N 2.8Å; A570-F642 HydrophobicContact CB-CB 3.78Å; A570-F642 HydrophobicContact CB-CD2 4.01Å; A570-F642 HydrophobicContact CB-CG 3.9Å; A570-D650 WeakPolarHBondContact CA-OD1 3.47Å; A570-D650 WeakPolarHBondContact CB-OD1 3.02Å; A570-D650 PolarHBondContact N-OD1 3.03Å |
| 571 | H | 87.8 | Confident | 75.3 | Confident | 56 Ų | 56 | 36 Ų | 36 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -60.7 | -22.9 | -179.8 | 78.9 | -102.6 | 0 | 0 | 0 | 113.5 | V573 F642 D650 S739 S758 | H571-V573 PolarHBondContact O-N 2.87Å; H571-F642 HydrophobicContact CB-CZ 4.11Å; H571-D650 IonicContact CE1-OD2 2.67Å; H571-D650 IonicContact CG-OD1 3.92Å; H571-D650 PolarHBondContact N-OD1 2.9Å; H571-D650 IonicContact ND1-OD1 3.36Å; H571-D650 PolarHBondContact ND1-OD1 2.85Å; H571-D650 IonicContact ND1-OD2 3.43Å; H571-D650 PolarHBondContact ND1-OD2 2.88Å; H571-S739 PolarHBondContact CE1-OG 2.89Å; H571-S739 WeakPolarHBondContact NE2-CB 3.38Å; H571-S739 PolarHBondContact NE2-OG 2.81Å; H571-S758 PolarHBondContact CE1-O 3.03Å |
| 572 | C | 88.2 | Confident | 74.7 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -67.7 | -22.3 | 174.8 | -81.2 | 0 | 0 | 0 | 0 | 114.1 | V541 C550 A569 A570 S739 | V541-C572 VanDerWaalsContact CG2-O 3.25Å; V541-C572 WeakPolarHBondContact CG2-O 3.28Å; C550-C572 HydrophobicContact CB-CB 3.69Å; C550-C572 WeakPolarHBondContact CB-SG 3.43Å; C550-C572 VanDerWaalsContact SG-CA 3.59Å; C550-C572 WeakPolarHBondContact SG-CB 3.32Å; C550-C572 CovalentContact SG-SG 2.04Å; C550-C572 PolarHBondContact SG-SG 2.86Å; A569-C572 WeakPolarHBondContact O-CB 3.21Å; A569-C572 PolarHBondContact O-N 2.89Å; A570-C572 PolarHBondContact O-N 3.43Å; A570-C572 VanDerWaalsContact O-N 3.09Å; C572-S739 PolarHBondContact SG-O 3.36Å |
| 573 | V | 85.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -118.9 | 9 | -176.6 | -67.2 | 0 | 0 | 0 | 0 | 113.1 | V541 A570 H571 L607 A608 I637 A652 L654 | V541-V573 HydrophobicContact CG2-CG1 4.34Å; A570-V573 VanDerWaalsContact O-CG2 3.25Å; A570-V573 WeakPolarHBondContact O-CG2 3.24Å; A570-V573 PolarHBondContact O-N 3.15Å; H571-V573 PolarHBondContact O-N 2.87Å; V573-L607 HydrophobicContact CG2-CD2 4.31Å; V573-L607 CarbonylContact O-C 3.5Å; V573-L607 WeakPolarHBondContact O-CA 3.15Å; V573-A608 PolarHBondContact O-N 2.86Å; V573-I637 HydrophobicContact CB-CD1 4.48Å; V573-I637 HydrophobicContact CB-CG2 4.06Å; V573-I637 HydrophobicContact CG1-CG2 4.47Å; V573-I637 HydrophobicContact CG2-CG2 3.72Å; V573-A652 HydrophobicContact CG2-CB 3.88Å; V573-L654 HydrophobicContact CG1-CD2 4.04Å |
| 574 | I | 78.8 | Confident | 71.8 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -88.1 | 136.6 | 173.9 | -70.6 | 167.7 | 0 | 0 | 0 | 110 | I543 A570 T576 V605 P606 L607 F642 | I543-I574 WeakPolarHBondContact CD1-O 3.29Å; A570-I574 HydrophobicContact CB-CD1 4.34Å; A570-I574 WeakPolarHBondContact O-CG1 3.36Å; A570-I574 PolarHBondContact O-N 2.8Å; I574-T576 HydrophobicContact CG2-CG2 4.37Å; I574-T576 PolarHBondContact O-N 3.46Å; I574-V605 HydrophobicContact CD1-CB 4.02Å; I574-V605 HydrophobicContact CD1-CG1 4.32Å; I574-V605 HydrophobicContact CD1-CG2 3.78Å; I574-V605 HydrophobicContact CG1-CB 4.19Å; I574-V605 HydrophobicContact CG1-CG2 4.2Å; I574-V605 HydrophobicContact CG2-CB 4.18Å; I574-V605 HydrophobicContact CG2-CG1 4.34Å; I574-P606 CarbonylContact C-O 3.34Å; I574-P606 WeakPolarHBondContact CA-O 3.4Å; I574-L607 HydrophobicContact CG1-CD2 4.07Å; I574-F642 HydrophobicContact CD1-CB 4.39Å; I574-F642 HydrophobicContact CD1-CD1 3.21Å; I574-F642 HydrophobicContact CD1-CE1 3.6Å; I574-F642 HydrophobicContact CD1-CG 3.95Å |
| 575 | D | 73.2 | Confident | 69.7 | Low | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.059 | 24% | 0.244 | C | C | . | . | trans | -83 | 84.2 | 172.3 | -177.2 | -11.3 | 0 | 0 | 0 | 110.1 | I543 D577 Q578 F579 P606 | I543-D575 HydrophobicContact CG2-CB 4.32Å; I543-D575 WeakPolarHBondContact CG2-OD1 3.4Å; D575-D577 PolarHBondContact O-N 3Å; D575-D577 PolarHBondContact OD1-N 3.46Å; D575-Q578 PolarHBondContact O-N 3.19Å; D575-Q578 PolarHBondContact OD1-N 2.88Å; D575-Q578 VanDerWaalsContact OD1-N 3.15Å; D575-Q578 WeakPolarHBondContact OD2-CG 3.5Å; D575-Q578 PolarHBondContact OD2-NE2 3.12Å; D575-F579 PolarHBondContact O-N 3.28Å; D575-P606 HydrophobicContact CB-CB 4.29Å; D575-P606 HydrophobicContact CB-CG 4.45Å; D575-P606 PolarHBondContact N-O 3.14Å; D575-P606 WeakPolarHBondContact O-CG 3.21Å | ||
| 576 | T | 63 | Low | 67.2 | Low | 53 Ų | 53 | 54.5 Ų | 54.5 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.5 | -25.5 | -179.3 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | I574 F579 R580 | I574-T576 HydrophobicContact CG2-CG2 4.37Å; I574-T576 PolarHBondContact O-N 3.46Å; T576-F579 PolarHBondContact O-N 2.93Å; T576-R580 PolarHBondContact O-N 3.38Å |
| 577 | D | 62.8 | Low | 64.6 | Low | 29 Ų | 29 | 59 Ų | 59 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.3 | -39.9 | -179.2 | -76.2 | -20.4 | 0 | 0 | 0 | 111.4 | N544 D575 F579 N581 | N544-D577 VanDerWaalsContact ND2-CB 3.32Å; N544-D577 WeakPolarHBondContact ND2-CB 3.24Å; N544-D577 PolarHBondContact ND2-OD2 3.1Å; N544-D577 VanDerWaalsContact ND2-OD2 3.11Å; D575-D577 PolarHBondContact O-N 3Å; D575-D577 PolarHBondContact OD1-N 3.46Å; D577-F579 VanDerWaalsContact C-N 3.27Å; D577-F579 PolarHBondContact O-N 2.78Å; D577-N581 PolarHBondContact O-N 2.86Å; D577-N581 VanDerWaalsContact O-N 3.12Å; D577-N581 PolarHBondContact O-ND2 2.89Å |
| 578 | Q | 56.6 | Low | 61.9 | Low | 98 Ų | 98 | 64.4 Ų | 64.4 | 46% | 0.458 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -33.9 | 172.5 | -85.8 | -169.7 | 60.5 | 0 | 0 | 112.3 | D575 S582 P606 | D575-Q578 PolarHBondContact O-N 3.19Å; D575-Q578 PolarHBondContact OD1-N 2.88Å; D575-Q578 VanDerWaalsContact OD1-N 3.15Å; D575-Q578 WeakPolarHBondContact OD2-CG 3.5Å; D575-Q578 PolarHBondContact OD2-NE2 3.12Å; Q578-S582 PolarHBondContact O-N 3.46Å; Q578-P606 HydrophobicContact CB-CB 4.33Å; Q578-P606 HydrophobicContact CB-CG 4.02Å |
| 579 | F | 49.4 | Very low | 59.2 | Low | 70 Ų | 70 | 69.9 Ų | 69.9 | 31% | 0.307 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.7 | -50.4 | 177.4 | -157.1 | -95 | 0 | 0 | 0 | 111.3 | D575 T576 D577 N581 S582 V605 E644 | D575-F579 PolarHBondContact O-N 3.28Å; T576-F579 PolarHBondContact O-N 2.93Å; D577-F579 VanDerWaalsContact C-N 3.27Å; D577-F579 PolarHBondContact O-N 2.78Å; F579-N581 PolarHBondContact O-N 2.79Å; F579-S582 WeakPolarHBondContact O-CB 3.48Å; F579-S582 PolarHBondContact O-N 2.89Å; F579-S582 VanDerWaalsContact O-N 3.09Å; F579-S582 PolarHBondContact O-OG 3.35Å; F579-V605 HydrophobicContact CD2-CG1 4.29Å; F579-V605 HydrophobicContact CE2-CG1 4.11Å; F579-E644 VanDerWaalsContact CD1-OE2 3.27Å; F579-E644 WeakPolarHBondContact CD1-OE2 3.3Å; F579-E644 WeakPolarHBondContact CE1-OE2 3.19Å; F579-E644 VanDerWaalsContact CZ-OE2 3.24Å; F579-E644 WeakPolarHBondContact CZ-OE2 3.18Å |
| 580 | R | 50.2 | Low | 56.5 | Low | 189 Ų | 189 | 73.2 Ų | 73.2 | 71% | 0.713 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.3 | -39.8 | 178.1 | -79 | -175.8 | 177.4 | 171.8 | 0.4 | 114.2 | T576 S582 T583 | T576-R580 PolarHBondContact O-N 3.38Å; R580-S582 PolarHBondContact O-N 2.83Å; R580-T583 PolarHBondContact O-N 2.86Å; R580-T583 PolarHBondContact O-OG1 2.96Å |
| 581 | N | 46.3 | Very low | 54 | Low | 146 Ų | 146 | 80.3 Ų | 80.3 | 78% | 0.781 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -7.8 | 177.4 | -78.8 | -37.1 | 0 | 0 | 0 | 113.6 | D577 F579 | D577-N581 PolarHBondContact O-N 2.86Å; D577-N581 VanDerWaalsContact O-N 3.12Å; D577-N581 PolarHBondContact O-ND2 2.89Å; F579-N581 PolarHBondContact O-N 2.79Å |
| 582 | S | 42.4 | Very low | 51.5 | Low | 53 Ų | 53 | 84.9 Ų | 84.9 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -10.9 | 176.8 | 81.6 | 0 | 0 | 0 | 0 | 114.4 | Q578 F579 R580 | Q578-S582 PolarHBondContact O-N 3.46Å; F579-S582 WeakPolarHBondContact O-CB 3.48Å; F579-S582 PolarHBondContact O-N 2.89Å; F579-S582 VanDerWaalsContact O-N 3.09Å; F579-S582 PolarHBondContact O-OG 3.35Å; R580-S582 PolarHBondContact O-N 2.83Å |
| 583 | T | 37.2 | Very low | 49.1 | Very low | 66 Ų | 66 | 89 Ų | 89 | 41% | 0.405 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -110.3 | 133.5 | -176.8 | 38.7 | 0 | 0 | 0 | 0 | 111.9 | R580 E587 | R580-T583 PolarHBondContact O-N 2.86Å; R580-T583 PolarHBondContact O-OG1 2.96Å; T583-E587 WeakPolarHBondContact CA-OE2 3.31Å |
| 584 | S | 41.8 | Very low | 46.6 | Very low | 59 Ų | 59 | 92.3 Ų | 92.3 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | trans | -80.7 | 156.3 | 178.6 | 70.4 | 0 | 0 | 0 | 0 | 112.4 | F586 E587 E588 | S584-F586 PolarHBondContact O-N 3.45Å; S584-E587 PolarHBondContact N-OE2 3.49Å; S584-E587 WeakPolarHBondContact O-CA 3.48Å; S584-E587 WeakPolarHBondContact O-CB 3.06Å; S584-E587 PolarHBondContact O-N 3.42Å; S584-E587 PolarHBondContact OG-N 3.31Å; S584-E587 PolarHBondContact OG-OE2 2.94Å; S584-E588 PolarHBondContact O-N 3.02Å | ||
| 585 | L | 42.2 | Very low | 44.3 | Very low | 144 Ų | 144 | 102.6 Ų | 102.6 | 75% | 0.754 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -55.4 | -26 | 175.7 | -160.3 | 84.7 | 0 | 0 | 0 | 113.1 | E588 L589 | L585-E588 WeakPolarHBondContact CD1-OE2 3.33Å; L585-E588 PolarHBondContact O-N 3.35Å; L585-L589 PolarHBondContact O-N 3.23Å |
| 586 | F | 40.5 | Very low | 42.4 | Very low | 155 Ų | 155 | 109.9 Ų | 109.9 | 68% | 0.68 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -75.2 | -29.9 | 174.5 | -169.9 | -99.6 | 0 | 0 | 0 | 112.1 | S584 L589 M590 | S584-F586 PolarHBondContact O-N 3.45Å; F586-L589 PolarHBondContact O-N 3.06Å; F586-M590 PolarHBondContact O-N 3.32Å |
| 587 | E | 39.3 | Very low | 40.9 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 44% | 0.439 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -76.2 | -28 | 170.3 | -70.6 | 168.1 | 149.8 | 0 | 0 | 112.2 | T583 S584 L589 M590 F591 | T583-E587 WeakPolarHBondContact CA-OE2 3.31Å; S584-E587 PolarHBondContact N-OE2 3.49Å; S584-E587 WeakPolarHBondContact O-CA 3.48Å; S584-E587 WeakPolarHBondContact O-CB 3.06Å; S584-E587 PolarHBondContact O-N 3.42Å; S584-E587 PolarHBondContact OG-N 3.31Å; S584-E587 PolarHBondContact OG-OE2 2.94Å; E587-L589 PolarHBondContact O-N 2.89Å; E587-M590 CarbonylContact O-C 3.58Å; E587-M590 PolarHBondContact O-N 3.46Å; E587-F591 WeakPolarHBondContact O-CB 3.32Å; E587-F591 PolarHBondContact O-N 2.98Å |
| 588 | E | 39.9 | Very low | 39.2 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 53% | 0.533 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.5 | -32.9 | 168.6 | -83.9 | -172.9 | 160.4 | 0 | 0 | 112.4 | S584 L585 F591 H592 | S584-E588 PolarHBondContact O-N 3.02Å; L585-E588 WeakPolarHBondContact CD1-OE2 3.33Å; L585-E588 PolarHBondContact O-N 3.35Å; E588-F591 VanDerWaalsContact O-CB 3.32Å; E588-F591 WeakPolarHBondContact O-CB 3.35Å; E588-F591 PolarHBondContact O-N 3.29Å; E588-H592 PolarHBondContact O-ND1 3.07Å; E588-H592 VanDerWaalsContact O-ND1 3.13Å |
| 589 | L | 37.7 | Very low | 37.9 | Very low | 115 Ų | 115 | 126 Ų | 126 | 60% | 0.602 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.2 | -41.8 | 173.5 | -161.2 | 75.7 | 0 | 0 | 0 | 110.8 | L585 F586 E587 F591 H592 V593 | L585-L589 PolarHBondContact O-N 3.23Å; F586-L589 PolarHBondContact O-N 3.06Å; E587-L589 PolarHBondContact O-N 2.89Å; L589-F591 PolarHBondContact O-N 3.12Å; L589-H592 PolarHBondContact O-N 3.42Å; L589-V593 PolarHBondContact O-N 3.48Å |
| 590 | M | 35.6 | Very low | 37.1 | Very low | 71 Ų | 71 | 130 Ų | 130 | 35% | 0.35 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.5 | -22.8 | 173.8 | -65.1 | -59.3 | -68.7 | 0 | 0 | 112.7 | F586 E587 H592 V593 N594 | F586-M590 PolarHBondContact O-N 3.32Å; E587-M590 CarbonylContact O-C 3.58Å; E587-M590 PolarHBondContact O-N 3.46Å; M590-H592 PolarHBondContact O-N 3.34Å; M590-V593 PolarHBondContact O-N 3.11Å; M590-V593 HydrophobicContact SD-CB 4.47Å; M590-N594 WeakPolarHBondContact CE-ND2 3.36Å; M590-N594 VanDerWaalsContact O-CB 3.22Å; M590-N594 WeakPolarHBondContact O-CB 3.42Å; M590-N594 PolarHBondContact O-N 3.2Å |
| 591 | F | 35.8 | Very low | 36.4 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.8 | -34.8 | 172 | -174.8 | -93.9 | 0 | 0 | 0 | 111.5 | E587 E588 L589 | E587-F591 WeakPolarHBondContact O-CB 3.32Å; E587-F591 PolarHBondContact O-N 2.98Å; E588-F591 VanDerWaalsContact O-CB 3.32Å; E588-F591 WeakPolarHBondContact O-CB 3.35Å; E588-F591 PolarHBondContact O-N 3.29Å; L589-F591 PolarHBondContact O-N 3.12Å |
| 592 | H | 35.6 | Very low | 35.9 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 70% | 0.699 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.1 | -32.2 | 174.1 | -71.4 | 79.9 | 0 | 0 | 0 | 112.8 | E588 L589 M590 | E588-H592 PolarHBondContact O-ND1 3.07Å; E588-H592 VanDerWaalsContact O-ND1 3.13Å; L589-H592 PolarHBondContact O-N 3.42Å; M590-H592 PolarHBondContact O-N 3.34Å |
| 593 | V | 37.5 | Very low | 35.8 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -83.3 | -34.8 | -176.4 | 179.2 | 0 | 0 | 0 | 0 | 112.6 | L589 M590 R595 | L589-V593 PolarHBondContact O-N 3.48Å; M590-V593 PolarHBondContact O-N 3.11Å; M590-V593 HydrophobicContact SD-CB 4.47Å; V593-R595 VanDerWaalsContact C-N 3.32Å; V593-R595 PolarHBondContact O-N 3.46Å |
| 594 | N | 33.9 | Very low | 36.3 | Very low | 68 Ų | 68 | 125 Ų | 125 | 36% | 0.364 | 62% | 0.623 | S | S | . | * | trans | -91.2 | 24.9 | -171.1 | -75.5 | -22.8 | 0 | 0 | 0 | 114.9 | M590 L596 I597 | M590-N594 WeakPolarHBondContact CE-ND2 3.36Å; M590-N594 VanDerWaalsContact O-CB 3.22Å; M590-N594 WeakPolarHBondContact O-CB 3.42Å; M590-N594 PolarHBondContact O-N 3.2Å; N594-L596 PolarHBondContact O-N 2.93Å; N594-I597 PolarHBondContact O-N 3.5Å | ||
| 595 | R | 29.7 | Very low | 37.2 | Very low | 224 Ų | 224 | 123.3 Ų | 123.3 | 85% | 0.845 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -0.6 | 170.2 | -153.1 | 178 | -178.2 | 175.3 | 2.2 | 114.1 | V593 | V593-R595 VanDerWaalsContact C-N 3.32Å; V593-R595 PolarHBondContact O-N 3.46Å |
| 596 | L | 32.4 | Very low | 38.3 | Very low | 165 Ų | 165 | 117 Ų | 117 | 86% | 0.864 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 0.6 | -175 | -69.9 | 169.5 | 0 | 0 | 0 | 115.9 | N594 | N594-L596 PolarHBondContact O-N 2.93Š|
| 597 | I | 32 | Very low | 39.9 | Very low | 122 Ų | 122 | 110.5 Ų | 110.5 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -125 | 116.1 | -178.1 | -55.5 | -179.6 | 0 | 0 | 0 | 112.4 | N594 W599 | N594-I597 PolarHBondContact O-N 3.5Å; I597-W599 PolarHBondContact O-N 2.74Å |
| 598 | K | 28.2 | Very low | 41.8 | Very low | 207 Ų | 207 | 106.2 Ų | 106.2 | 90% | 0.9 | 53% | 0.531 | S | S | * | . | trans | -51.4 | 116.8 | 178 | -68.9 | 175.1 | 175.3 | 178.5 | 0 | 112.2 | ||||
| 599 | W | 27.8 | Very low | 43.6 | Very low | 188 Ų | 188 | 104.2 Ų | 104.2 | 71% | 0.712 | 52% | 0.524 | S | S | * | . | trans | -91.5 | 140.8 | 163.1 | -93.6 | 43.7 | 0 | 0 | 0 | 110.3 | I597 A601 F645 | I597-W599 PolarHBondContact O-N 2.74Å; W599-A601 PolarHBondContact O-N 2.93Å; W599-F645 HydrophobicContact CB-CE2 4.04Å; W599-F645 HydrophobicContact CB-CZ 4.49Å; W599-F645 HydrophobicContact CE3-CE2 4.48Å | ||
| 600 | D | 33.3 | Very low | 45.7 | Very low | 154 Ų | 154 | 99.9 Ų | 99.9 | 82% | 0.824 | 50% | 0.503 | S | S | * | . | trans | -71.3 | 112.6 | 175.8 | -86.4 | -35.6 | 0 | 0 | 0 | 110.1 | K602 | D600-K602 PolarHBondContact O-N 3.39Š| ||
| 601 | A | 34.6 | Very low | 47.9 | Very low | 53 Ų | 53 | 102.5 Ų | 102.5 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 30.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | W599 N643 | W599-A601 PolarHBondContact O-N 2.93Å; A601-N643 HydrophobicContact CB-CB 4.17Å |
| 602 | K | 35.8 | Very low | 50.4 | Low | 185 Ų | 185 | 98.9 Ų | 98.9 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -0.3 | -175.6 | -72.3 | -170.7 | 178 | -177.5 | 0 | 115.2 | D600 G604 | D600-K602 PolarHBondContact O-N 3.39Å; K602-G604 PolarHBondContact O-N 2.85Å |
| 603 | A | 41.1 | Very low | 53 | Low | 64 Ų | 64 | 91.8 Ų | 91.8 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -77.4 | 113.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V605 | A603-V605 PolarHBondContact O-N 2.73Š|
| 604 | G | 48.6 | Very low | 55.6 | Low | 47 Ų | 47 | 91.1 Ų | 91.1 | 49% | 0.485 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 123.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K602 | K602-G604 PolarHBondContact O-N 2.85Š|
| 605 | V | 59 | Low | 58.5 | Low | 24 Ų | 24 | 87.9 Ų | 87.9 | 15% | 0.145 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 135.5 | 172 | -97.7 | 0 | 0 | 0 | 0 | 109.7 | I574 F579 A603 L607 F642 | I574-V605 HydrophobicContact CD1-CB 4.02Å; I574-V605 HydrophobicContact CD1-CG1 4.32Å; I574-V605 HydrophobicContact CD1-CG2 3.78Å; I574-V605 HydrophobicContact CG1-CB 4.19Å; I574-V605 HydrophobicContact CG1-CG2 4.2Å; I574-V605 HydrophobicContact CG2-CB 4.18Å; I574-V605 HydrophobicContact CG2-CG1 4.34Å; F579-V605 HydrophobicContact CD2-CG1 4.29Å; F579-V605 HydrophobicContact CE2-CG1 4.11Å; A603-V605 PolarHBondContact O-N 2.73Å; V605-L607 PolarHBondContact O-N 2.93Å; V605-F642 HydrophobicContact CG2-CD1 4.41Å |
| 606 | P | 66 | Low | 61.6 | Low | 13 Ų | 13 | 78.9 Ų | 78.9 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 128.6 | -179.5 | 26.4 | -33 | 0 | 0 | 0 | 110.8 | I574 D575 Q578 F803 | I574-P606 CarbonylContact C-O 3.34Å; I574-P606 WeakPolarHBondContact CA-O 3.4Å; D575-P606 HydrophobicContact CB-CB 4.29Å; D575-P606 HydrophobicContact CB-CG 4.45Å; D575-P606 PolarHBondContact N-O 3.14Å; D575-P606 WeakPolarHBondContact O-CG 3.21Å; Q578-P606 HydrophobicContact CB-CB 4.33Å; Q578-P606 HydrophobicContact CB-CG 4.02Å; P606-F803 HydrophobicContact CB-CD1 4.45Å; P606-F803 HydrophobicContact CB-CE1 3.7Å |
| 607 | L | 73.8 | Confident | 64.5 | Low | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.094 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -98.1 | 150.9 | 178.7 | -57.1 | 166.3 | 0 | 0 | 0 | 111.1 | V573 I574 V605 I637 P639 Y802 | V573-L607 HydrophobicContact CG2-CD2 4.31Å; V573-L607 CarbonylContact O-C 3.5Å; V573-L607 WeakPolarHBondContact O-CA 3.15Å; I574-L607 HydrophobicContact CG1-CD2 4.07Å; V605-L607 PolarHBondContact O-N 2.93Å; L607-I637 HydrophobicContact CD1-CG2 4.31Å; L607-P639 HydrophobicContact CD1-CG 3.77Å; L607-P639 HydrophobicContact CD2-CB 4Å; L607-P639 HydrophobicContact CD2-CG 3.98Å; L607-P639 HydrophobicContact CG-CG 4.39Å; L607-Y802 HydrophobicContact CB-CE1 3.74Å; L607-Y802 WeakPolarHBondContact CB-OH 3.41Å; L607-Y802 HydrophobicContact CD1-CE1 3.97Å; L607-Y802 HydrophobicContact CD1-CE2 4.36Å; L607-Y802 WeakPolarHBondContact CD1-OH 3.33Å; L607-Y802 HydrophobicContact CG-CE1 4.33Å |
| 608 | A | 79.5 | Confident | 67.2 | Low | 4 Ų | 4 | 65.5 Ų | 65.5 | 3% | 0.033 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 149.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111 | V541 I543 V573 V613 I637 Y802 | V541-A608 HydrophobicContact CG1-CB 3.52Å; I543-A608 HydrophobicContact CD1-CB 4.39Å; I543-A608 HydrophobicContact CG1-CB 4.2Å; V573-A608 PolarHBondContact O-N 2.86Å; A608-V613 HydrophobicContact CB-CG2 4.16Å; A608-I637 WeakPolarHBondContact O-CD1 3.45Å; A608-Y802 PolarHBondContact O-OH 2.04Å |
| 609 | N | 78.1 | Confident | 70.1 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 132.3 | 173.5 | -168.3 | -43.1 | 0 | 0 | 0 | 109.4 | K611 D612 V613 | N609-K611 PolarHBondContact O-N 2.56Å; N609-K611 PolarHBondContact OD1-N 3.5Å; N609-K611 VanDerWaalsContact OD1-N 3.12Å; N609-D612 HydrophobicContact CB-CB 4.38Å; N609-D612 WeakPolarHBondContact CB-OD2 3.33Å; N609-D612 WeakPolarHBondContact O-CA 3.49Å; N609-D612 WeakPolarHBondContact O-CB 3.38Å; N609-D612 PolarHBondContact O-N 2.8Å; N609-V613 PolarHBondContact O-N 3.24Å |
| 610 | P | 81.1 | Confident | 73 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -51.2 | -31.1 | 176.7 | -28.4 | 33.6 | 0 | 0 | 0 | 114.5 | D612 V613 V634 I637 | P610-D612 VanDerWaalsContact C-N 3.27Å; P610-D612 PolarHBondContact O-N 2.85Å; P610-V613 PolarHBondContact O-N 2.9Å; P610-V634 HydrophobicContact CB-CG1 4.28Å; P610-I637 HydrophobicContact CB-CD1 4.43Å; P610-I637 HydrophobicContact CB-CG1 4.38Å; P610-I637 HydrophobicContact CG-CD1 4.14Å; P610-I637 HydrophobicContact CG-CG1 4.11Å |
| 611 | K | 82.2 | Confident | 75.6 | Confident | 127 Ų | 127 | 41.6 Ų | 41.6 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -68 | -26 | 176.4 | -70.1 | 177.5 | 177.8 | 176.4 | 0 | 113.8 | N609 V613 S956 | N609-K611 PolarHBondContact O-N 2.56Å; N609-K611 PolarHBondContact OD1-N 3.5Å; N609-K611 VanDerWaalsContact OD1-N 3.12Å; K611-V613 VanDerWaalsContact C-N 3.31Å; K611-S956 PolarHBondContact NZ-OG 2.81Å |
| 612 | D | 87.8 | Confident | 77.9 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -90 | -1.8 | -179.7 | -62.1 | -35.2 | 0 | 0 | 0 | 112.4 | T542 N609 P610 | T542-D612 PolarHBondContact N-O 3.16Å; T542-D612 WeakPolarHBondContact O-CB 3.12Å; N609-D612 HydrophobicContact CB-CB 4.38Å; N609-D612 WeakPolarHBondContact CB-OD2 3.33Å; N609-D612 WeakPolarHBondContact O-CA 3.49Å; N609-D612 WeakPolarHBondContact O-CB 3.38Å; N609-D612 PolarHBondContact O-N 2.8Å; P610-D612 VanDerWaalsContact C-N 3.27Å; P610-D612 PolarHBondContact O-N 2.85Å |
| 613 | V | 90.9 | Very high | 80 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120 | 172.6 | -174.7 | 0 | 0 | 0 | 0 | 110 | I539 Y540 V541 A608 N609 P610 K611 V634 I637 L654 | I539-V613 HydrophobicContact CG2-CG1 3.76Å; Y540-V613 WeakPolarHBondContact O-CA 3.38Å; V541-V613 HydrophobicContact CG1-CG2 4.22Å; V541-V613 HydrophobicContact CG2-CG1 4.2Å; V541-V613 HydrophobicContact CG2-CG2 4.05Å; A608-V613 HydrophobicContact CB-CG2 4.16Å; N609-V613 PolarHBondContact O-N 3.24Å; P610-V613 PolarHBondContact O-N 2.9Å; K611-V613 VanDerWaalsContact C-N 3.31Å; V613-V634 HydrophobicContact CB-CB 4.29Å; V613-V634 HydrophobicContact CB-CG2 4.02Å; V613-V634 HydrophobicContact CG1-CB 4.44Å; V613-V634 HydrophobicContact CG1-CG2 3.68Å; V613-I637 HydrophobicContact CG2-CD1 3.75Å; V613-L654 HydrophobicContact CG1-CD1 4.2Å |
| 614 | K | 91.5 | Very high | 81.6 | Confident | 82 Ų | 82 | 40.5 Ų | 40.5 | 36% | 0.357 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.4 | 177.6 | -66.3 | 171.5 | -175.5 | 161.3 | 0 | 109.7 | Y540 Y616 | Y540-K614 PolarHBondContact N-O 3.35Å; Y540-K614 PolarHBondContact O-N 2.84Å; K614-Y616 HydrophobicContact CB-CE2 3.77Å |
| 615 | V | 94.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.9 | -178.6 | -174.3 | 0 | 0 | 0 | 0 | 110 | A537 L538 I539 V566 F617 Y632 V634 L654 L656 | A537-V615 HydrophobicContact CB-CG1 4.06Å; L538-V615 WeakPolarHBondContact O-CA 3.37Å; I539-V615 HydrophobicContact CG1-CG1 4.46Å; I539-V615 HydrophobicContact CG1-CG2 4.3Å; V566-V615 HydrophobicContact CG2-CG1 4.38Å; V615-F617 HydrophobicContact CG1-CD2 4.42Å; V615-F617 HydrophobicContact CG1-CE1 4.33Å; V615-F617 HydrophobicContact CG1-CE2 3.67Å; V615-F617 HydrophobicContact CG1-CZ 3.62Å; V615-Y632 PolarHBondContact N-O 3.16Å; V615-Y632 PolarHBondContact O-N 3.49Å; V615-V634 HydrophobicContact CG2-CG2 3.67Å; V615-L654 HydrophobicContact CG2-CD1 4.06Å; V615-L656 HydrophobicContact CB-CD2 4.08Å; V615-L656 HydrophobicContact CG1-CD2 4.46Å; V615-L656 HydrophobicContact CG2-CD2 4.01Å |
| 616 | Y | 94.3 | Very high | 83.8 | Confident | 34 Ų | 34 | 44 Ų | 44 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.4 | 178.4 | -60.8 | -100.8 | 0 | 0 | 0 | 110.4 | L538 Y540 K614 R629 Q630 K631 | L538-Y616 PolarHBondContact N-O 2.8Å; L538-Y616 PolarHBondContact O-N 3.35Å; Y540-Y616 HydrophobicContact CD2-CD2 4.07Å; Y540-Y616 AromaticContact CD2-CE2 3.8Å; Y540-Y616 HydrophobicContact CD2-CE2 3.8Å; Y540-Y616 HydrophobicContact CE2-CE2 4.39Å; K614-Y616 HydrophobicContact CB-CE2 3.77Å; Y616-R629 HydrophobicContact CD1-CG 4.01Å; Y616-Q630 VanDerWaalsContact CA-O 3.32Å; Y616-Q630 WeakPolarHBondContact CA-O 3.19Å; Y616-K631 HydrophobicContact CD1-CB 3.87Å; Y616-K631 HydrophobicContact CD1-CG 4.07Å; Y616-K631 HydrophobicContact CE1-CB 3.74Å; Y616-K631 HydrophobicContact CE1-CD 3.75Å; Y616-K631 HydrophobicContact CE1-CG 3.6Å; Y616-K631 WeakPolarHBondContact OH-CE 3.12Å |
| 617 | F | 93.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 157.2 | 174.9 | -64.7 | -71.4 | 0 | 0 | 0 | 110.9 | A537 L554 V566 V615 A619 R629 Q630 Y632 L656 V660 I666 | A537-F617 HydrophobicContact CB-CD1 4.09Å; A537-F617 HydrophobicContact CB-CE1 3.4Å; A537-F617 HydrophobicContact CB-CZ 4.01Å; L554-F617 HydrophobicContact CB-CD1 4.29Å; L554-F617 HydrophobicContact CB-CE1 3.62Å; L554-F617 HydrophobicContact CB-CZ 4.08Å; L554-F617 HydrophobicContact CD1-CE1 4.38Å; L554-F617 HydrophobicContact CD1-CZ 4Å; L554-F617 HydrophobicContact CD2-CD1 4.31Å; L554-F617 HydrophobicContact CD2-CE1 4.2Å; L554-F617 HydrophobicContact CD2-CZ 4.42Å; L554-F617 HydrophobicContact CG-CE1 4.3Å; L554-F617 HydrophobicContact CG-CZ 4.4Å; V566-F617 HydrophobicContact CG2-CE2 4.41Å; V566-F617 HydrophobicContact CG2-CZ 3.65Å; V615-F617 HydrophobicContact CG1-CD2 4.42Å; V615-F617 HydrophobicContact CG1-CE1 4.33Å; V615-F617 HydrophobicContact CG1-CE2 3.67Å; V615-F617 HydrophobicContact CG1-CZ 3.62Å; F617-A619 VanDerWaalsContact C-N 3.27Å; F617-A619 PolarHBondContact O-N 3.37Å; F617-R629 CarbonylContact O-C 3.52Å; F617-R629 VanDerWaalsContact O-CA 3.25Å; F617-R629 WeakPolarHBondContact O-CA 2.93Å; F617-Q630 PolarHBondContact N-O 3Å; F617-Q630 PolarHBondContact O-N 3.14Å; F617-Y632 AromaticContact CD2-CD2 3.79Å; F617-Y632 HydrophobicContact CD2-CD2 3.79Å; F617-Y632 HydrophobicContact CD2-CE2 4.04Å; F617-Y632 HydrophobicContact CE2-CD2 4.15Å; F617-L656 HydrophobicContact CE2-CD1 3.79Å; F617-L656 HydrophobicContact CZ-CD1 4.31Å; F617-V660 HydrophobicContact CD2-CG1 4.19Å; F617-V660 HydrophobicContact CD2-CG2 4.03Å; F617-V660 HydrophobicContact CE2-CG2 3.74Å; F617-I666 HydrophobicContact CB-CD1 3.76Å; F617-I666 HydrophobicContact CB-CG1 3.91Å; F617-I666 HydrophobicContact CB-CG2 3.83Å; F617-I666 HydrophobicContact CG-CG2 4.29Å |
| 618 | G | 89.9 | Confident | 84.9 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 73 | 18 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | H531 T628 | H531-G618 PolarHBondContact CE1-O 3.07Å; G618-T628 WeakPolarHBondContact O-CB 3.47Å; G618-T628 PolarHBondContact O-OG1 3.44Å |
| 619 | A | 89.7 | Confident | 85.3 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | trans | -91.5 | 136.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | F617 E626 R629 W690 | F617-A619 VanDerWaalsContact C-N 3.27Å; F617-A619 PolarHBondContact O-N 3.37Å; A619-E626 WeakPolarHBondContact CA-OE2 3.16Å; A619-R629 HydrophobicContact CB-CG 4.11Å; A619-W690 HydrophobicContact CB-CZ2 4.44Å; A619-W690 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 620 | H | 88.4 | Confident | 85.7 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -113.7 | -55.6 | 168.4 | 178.4 | 62.8 | 0 | 0 | 0 | 110 | A528 P530 E626 W690 E701 L702 | A528-H620 PolarHBondContact O-CE1 3.02Å; P530-H620 HydrophobicContact CB-CB 4.49Å; H620-E626 PolarHBondContact N-OE2 2.93Å; H620-W690 PolarHBondContact O-NE1 2.65Å; H620-W690 VanDerWaalsContact O-NE1 3.1Å; H620-E701 CarbonylContact O-C 3.26Å; H620-E701 WeakPolarHBondContact O-CA 3.46Å; H620-L702 PolarHBondContact O-N 2.94Å |
| 621 | N | 87.7 | Confident | 86.2 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.134 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -96.4 | 115.2 | 173.3 | -168.8 | -57.2 | 0 | 0 | 0 | 111.5 | K623 H624 E626 D700 E701 | N621-K623 WeakPolarHBondContact OD1-CB 3.18Å; N621-K623 PolarHBondContact OD1-N 3.42Å; N621-K623 VanDerWaalsContact OD1-N 3.12Å; N621-H624 PolarHBondContact OD1-N 3.39Å; N621-H624 PolarHBondContact OD1-ND1 3.48Å; N621-E626 WeakPolarHBondContact CB-OE1 3.32Å; N621-E626 PolarHBondContact N-OE1 3.11Å; N621-D700 CarbonylContact C-O 3.42Å; N621-D700 VanDerWaalsContact CA-O 3.28Å; N621-D700 WeakPolarHBondContact CA-O 3.49Å; N621-E701 HydrophobicContact CB-CG 4.24Å |
| 622 | I | 83.2 | Confident | 86.7 | Confident | 29 Ų | 29 | 52 Ų | 52 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -80.1 | -17.1 | -174.9 | 59.4 | 170.2 | 0 | 0 | 0 | 114.2 | L538 K549 W690 D700 | L538-I622 HydrophobicContact CD2-CG2 3.66Å; K549-I622 HydrophobicContact CD-CD1 4.28Å; I622-W690 HydrophobicContact CD1-CB 4.36Å; I622-W690 HydrophobicContact CD1-CG 4.36Å; I622-W690 HydrophobicContact CG2-CD2 4.08Å; I622-W690 HydrophobicContact CG2-CG 4.11Å; I622-W690 HydrophobicContact CG2-CZ2 4.2Å; I622-D700 WeakPolarHBondContact CG1-O 3.32Å; I622-D700 PolarHBondContact N-O 3.22Å |
| 623 | K | 78.9 | Confident | 86.8 | Confident | 138 Ų | 138 | 51 Ų | 51 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -74.3 | -31.3 | 178.9 | -172.8 | 171.5 | 178.1 | 178.5 | 0 | 111.7 | N621 D700 | N621-K623 WeakPolarHBondContact OD1-CB 3.18Å; N621-K623 PolarHBondContact OD1-N 3.42Å; N621-K623 VanDerWaalsContact OD1-N 3.12Å; K623-D700 HydrophobicContact CB-CB 4.29Å; K623-D700 WeakPolarHBondContact CD-OD2 3.42Å; K623-D700 IonicContact NZ-OD2 3.6Å |
| 624 | H | 75.2 | Confident | 86.5 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -111.9 | 126.6 | -178.2 | -60 | 73.9 | 0 | 0 | 0 | 110.4 | N621 E626 | N621-H624 PolarHBondContact OD1-N 3.39Å; N621-H624 PolarHBondContact OD1-ND1 3.48Å; H624-E626 PolarHBondContact O-N 3.4Å |
| 625 | P | 70.5 | Confident | 86 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 62% | 0.623 | 25% | 0.254 | S | S | * | . | trans | -60.7 | 91.8 | 169.1 | -23.3 | 34.5 | 0 | 0 | 0 | 112 | ||||
| 626 | E | 83 | Confident | 85.3 | Confident | 49 Ų | 49 | 53 Ų | 53 | 23% | 0.229 | 27% | 0.271 | C | S | . | . | trans | -68.7 | 143.3 | 173.5 | -63.9 | 166.6 | 161.2 | 0 | 0 | 111.1 | H531 A619 H620 N621 H624 T628 R629 | H531-E626 IonicContact CE1-OE2 3.45Å; A619-E626 WeakPolarHBondContact CA-OE2 3.16Å; H620-E626 PolarHBondContact N-OE2 2.93Å; N621-E626 WeakPolarHBondContact CB-OE1 3.32Å; N621-E626 PolarHBondContact N-OE1 3.11Å; H624-E626 PolarHBondContact O-N 3.4Å; E626-T628 WeakPolarHBondContact CB-OG1 3.35Å; E626-T628 PolarHBondContact O-N 3.25Å; E626-R629 WeakPolarHBondContact O-CB 3.45Å; E626-R629 PolarHBondContact O-N 3.25Å | ||
| 627 | D | 78.8 | Confident | 84.8 | Confident | 174 Ų | 174 | 51.9 Ų | 51.9 | 93% | 0.93 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.4 | 177.8 | -67.4 | -30.5 | 0 | 0 | 0 | 112.9 | R629 | D627-R629 PolarHBondContact O-N 3.03Š|
| 628 | T | 85.2 | Confident | 84.3 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 13% | 0.129 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.6 | 174.5 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | H531 G618 E626 Q630 Y665 | H531-T628 PolarHBondContact CE1-OG1 2.93Å; H531-T628 VanDerWaalsContact CE1-OG1 3.3Å; G618-T628 WeakPolarHBondContact O-CB 3.47Å; G618-T628 PolarHBondContact O-OG1 3.44Å; E626-T628 WeakPolarHBondContact CB-OG1 3.35Å; E626-T628 PolarHBondContact O-N 3.25Å; T628-Q630 PolarHBondContact O-N 3.03Å; T628-Y665 HydrophobicContact CG2-CD1 4.11Å; T628-Y665 HydrophobicContact CG2-CD2 3.45Å; T628-Y665 VanDerWaalsContact CG2-CD2 3.45Å; T628-Y665 HydrophobicContact CG2-CE1 4.05Å; T628-Y665 HydrophobicContact CG2-CE2 3.36Å; T628-Y665 HydrophobicContact CG2-CG 3.8Å |
| 629 | R | 87.2 | Confident | 83.8 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | trans | -78.5 | 120 | -171.5 | -172.2 | 175.9 | 68.9 | -176.2 | 3.9 | 112.2 | Y616 F617 A619 E626 D627 | Y616-R629 HydrophobicContact CD1-CG 4.01Å; F617-R629 CarbonylContact O-C 3.52Å; F617-R629 VanDerWaalsContact O-CA 3.25Å; F617-R629 WeakPolarHBondContact O-CA 2.93Å; A619-R629 HydrophobicContact CB-CG 4.11Å; E626-R629 WeakPolarHBondContact O-CB 3.45Å; E626-R629 PolarHBondContact O-N 3.25Å; D627-R629 PolarHBondContact O-N 3.03Å | ||
| 630 | Q | 87 | Confident | 83.1 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 20% | 0.201 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135 | 174.9 | -61.8 | -177.3 | 24 | 0 | 0 | 111.8 | Y616 F617 T628 Y632 N663 I666 | Y616-Q630 VanDerWaalsContact CA-O 3.32Å; Y616-Q630 WeakPolarHBondContact CA-O 3.19Å; F617-Q630 PolarHBondContact N-O 3Å; F617-Q630 PolarHBondContact O-N 3.14Å; T628-Q630 PolarHBondContact O-N 3.03Å; Q630-Y632 HydrophobicContact CB-CD2 4.41Å; Q630-Y632 HydrophobicContact CB-CE2 3.59Å; Q630-Y632 PolarHBondContact OE1-OH 3.08Å; Q630-N663 PolarHBondContact NE2-ND2 3.17Å; Q630-N663 VanDerWaalsContact NE2-ND2 3.17Å; Q630-I666 HydrophobicContact CB-CD1 3.93Å; Q630-I666 VanDerWaalsContact CD-CD1 3.48Å; Q630-I666 HydrophobicContact CG-CD1 3.61Å |
| 631 | K | 91.8 | Very high | 82.2 | Confident | 108 Ų | 108 | 59.2 Ų | 59.2 | 47% | 0.47 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.5 | -179.9 | -177.8 | -174.9 | 177 | -172.9 | 0 | 112 | Y616 R658 | Y616-K631 HydrophobicContact CD1-CB 3.87Å; Y616-K631 HydrophobicContact CD1-CG 4.07Å; Y616-K631 HydrophobicContact CE1-CB 3.74Å; Y616-K631 HydrophobicContact CE1-CD 3.75Å; Y616-K631 HydrophobicContact CE1-CG 3.6Å; Y616-K631 WeakPolarHBondContact OH-CE 3.12Å; K631-R658 PolarHBondContact O-NH2 3.26Å |
| 632 | Y | 92.4 | Very high | 80.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 147.6 | 176.7 | -65.5 | -96.6 | 0 | 0 | 0 | 111.1 | V615 F617 Q630 L656 R658 V660 N661 | V615-Y632 PolarHBondContact N-O 3.16Å; V615-Y632 PolarHBondContact O-N 3.49Å; F617-Y632 AromaticContact CD2-CD2 3.79Å; F617-Y632 HydrophobicContact CD2-CD2 3.79Å; F617-Y632 HydrophobicContact CD2-CE2 4.04Å; F617-Y632 HydrophobicContact CE2-CD2 4.15Å; Q630-Y632 HydrophobicContact CB-CD2 4.41Å; Q630-Y632 HydrophobicContact CB-CE2 3.59Å; Q630-Y632 PolarHBondContact OE1-OH 3.08Å; Y632-L656 HydrophobicContact CD1-CD1 4.42Å; Y632-L656 HydrophobicContact CG-CD1 4.21Å; Y632-R658 HydrophobicContact CD1-CG 3.85Å; Y632-R658 HydrophobicContact CE1-CG 3.75Å; Y632-V660 HydrophobicContact CD1-CG2 4.27Å; Y632-V660 HydrophobicContact CD2-CG2 4.23Å; Y632-V660 HydrophobicContact CE1-CB 4.46Å; Y632-V660 HydrophobicContact CE1-CG2 3.99Å; Y632-V660 HydrophobicContact CE2-CB 4.42Å; Y632-V660 HydrophobicContact CE2-CG1 4.04Å; Y632-V660 HydrophobicContact CE2-CG2 3.96Å; Y632-V660 HydrophobicContact CG-CG2 4.4Å; Y632-V660 WeakPolarHBondContact OH-CA 3.36Å; Y632-N661 PolarHBondContact OH-N 2.82Å |
| 633 | A | 88.7 | Confident | 79.8 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 144.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | L656 N657 | A633-L656 WeakPolarHBondContact O-CA 3.33Å; A633-N657 HydrophobicContact CB-CB 4.41Å; A633-N657 PolarHBondContact N-OD1 2.92Å; A633-N657 VanDerWaalsContact N-OD1 3.15Å; A633-N657 PolarHBondContact O-N 3.41Å; A633-N657 PolarHBondContact O-OD1 3.17Å |
| 634 | V | 85.9 | Confident | 78.6 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 135 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | P610 V613 V615 H636 I637 L654 L656 | P610-V634 HydrophobicContact CB-CG1 4.28Å; V613-V634 HydrophobicContact CB-CB 4.29Å; V613-V634 HydrophobicContact CB-CG2 4.02Å; V613-V634 HydrophobicContact CG1-CB 4.44Å; V613-V634 HydrophobicContact CG1-CG2 3.68Å; V615-V634 HydrophobicContact CG2-CG2 3.67Å; V634-H636 WeakPolarHBondContact CG1-O 3.48Å; V634-I637 HydrophobicContact CG1-CG1 3.91Å; V634-L654 HydrophobicContact CG1-CB 4.15Å; V634-L654 HydrophobicContact CG1-CD2 4.47Å; V634-L654 HydrophobicContact CG2-CB 4.29Å; V634-L654 HydrophobicContact CG2-CD1 4.33Å; V634-L656 HydrophobicContact CG2-CD2 4.31Å |
| 635 | T | 79.4 | Confident | 77.7 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -37.1 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 112 | K655 N657 | T635-K655 PolarHBondContact N-O 3.2Å; T635-K655 WeakPolarHBondContact OG1-CG 3.42Å; T635-K655 PolarHBondContact OG1-O 3.44Å; T635-N657 HydrophobicContact CG2-CB 3.67Å |
| 636 | H | 80.3 | Confident | 77.2 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 144.4 | -179.2 | -58.3 | 80.9 | 0 | 0 | 0 | 109.9 | V634 K655 T792 | V634-H636 WeakPolarHBondContact CG1-O 3.48Å; H636-K655 HydrophobicContact CB-CB 4.07Å; H636-K655 PolarHBondContact O-N 2.84Å; H636-T792 HydrophobicContact CB-CG2 4.24Å |
| 637 | I | 83.9 | Confident | 76 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.6 | 172.7 | -58.6 | 174.2 | 0 | 0 | 0 | 105.8 | V573 L607 A608 P610 V613 V634 L654 | V573-I637 HydrophobicContact CB-CD1 4.48Å; V573-I637 HydrophobicContact CB-CG2 4.06Å; V573-I637 HydrophobicContact CG1-CG2 4.47Å; V573-I637 HydrophobicContact CG2-CG2 3.72Å; L607-I637 HydrophobicContact CD1-CG2 4.31Å; A608-I637 WeakPolarHBondContact O-CD1 3.45Å; P610-I637 HydrophobicContact CB-CD1 4.43Å; P610-I637 HydrophobicContact CB-CG1 4.38Å; P610-I637 HydrophobicContact CG-CD1 4.14Å; P610-I637 HydrophobicContact CG-CG1 4.11Å; V613-I637 HydrophobicContact CG2-CD1 3.75Å; V634-I637 HydrophobicContact CG1-CG1 3.91Å; I637-L654 HydrophobicContact CB-CD2 4.28Å; I637-L654 HydrophobicContact CG1-CD2 3.9Å; I637-L654 HydrophobicContact CG2-CD2 3.96Å |
| 638 | I | 82.4 | Confident | 75.6 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 96.6 | -179.4 | -47.9 | 169.6 | 0 | 0 | 0 | 107.2 | A652 I653 W784 V788 T792 | I638-A652 CarbonylContact O-C 3.6Å; I638-A652 WeakPolarHBondContact O-CA 3.08Å; I638-I653 HydrophobicContact CB-CB 4.24Å; I638-I653 HydrophobicContact CD1-CB 4.47Å; I638-I653 PolarHBondContact N-O 3.48Å; I638-I653 PolarHBondContact O-N 2.89Å; I638-W784 HydrophobicContact CG2-CZ2 4.03Å; I638-V788 HydrophobicContact CG2-CG2 4.4Å; I638-T792 HydrophobicContact CD1-CG2 3.92Å; I638-T792 VanDerWaalsContact CD1-OG1 3.24Å; I638-T792 WeakPolarHBondContact CD1-OG1 3.4Å |
| 639 | P | 80.3 | Confident | 75.2 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 25% | 0.253 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 155.4 | 176.7 | 36.5 | -39.7 | 0 | 0 | 0 | 110.9 | L607 | L607-P639 HydrophobicContact CD1-CG 3.77Å; L607-P639 HydrophobicContact CD2-CB 4Å; L607-P639 HydrophobicContact CD2-CG 3.98Å; L607-P639 HydrophobicContact CG-CG 4.39Å |
| 640 | G | 74.4 | Confident | 75.2 | Confident | 11 Ų | 11 | 46 Ų | 46 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | trans | -68.6 | 177.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F642 I651 | G640-F642 PolarHBondContact O-N 2.99Å; G640-I651 PolarHBondContact N-O 2.93Å | ||
| 641 | T | 69.3 | Low | 75.4 | Confident | 104 Ų | 104 | 44 Ų | 44 | 64% | 0.638 | 23% | 0.231 | S | C | * | . | trans | -73.9 | 54.3 | 174.5 | 34.3 | 0 | 0 | 0 | 0 | 111.7 | N643 D649 | T641-N643 PolarHBondContact O-N 2.88Å; T641-D649 PolarHBondContact OG1-OD2 2.83Å | ||
| 642 | F | 60.2 | Low | 75.3 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 9% | 0.088 | 21% | 0.208 | C | C | . | . | trans | -56.9 | 129.1 | -172.8 | 179.2 | -107.6 | 0 | 0 | 0 | 111.6 | A570 H571 I574 V605 G640 E644 E647 E648 D650 | A570-F642 HydrophobicContact CB-CB 3.78Å; A570-F642 HydrophobicContact CB-CD2 4.01Å; A570-F642 HydrophobicContact CB-CG 3.9Å; H571-F642 HydrophobicContact CB-CZ 4.11Å; I574-F642 HydrophobicContact CD1-CB 4.39Å; I574-F642 HydrophobicContact CD1-CD1 3.21Å; I574-F642 HydrophobicContact CD1-CE1 3.6Å; I574-F642 HydrophobicContact CD1-CG 3.95Å; V605-F642 HydrophobicContact CG2-CD1 4.41Å; G640-F642 PolarHBondContact O-N 2.99Å; F642-E644 HydrophobicContact CE1-CB 3.97Å; F642-E644 HydrophobicContact CE1-CG 4.23Å; F642-E647 HydrophobicContact CE2-CB 4.38Å; F642-E648 WeakPolarHBondContact CA-O 3.35Å; F642-D650 HydrophobicContact CD2-CB 3.8Å; F642-D650 HydrophobicContact CE2-CB 3.72Å | ||
| 643 | N | 60.8 | Low | 75.3 | Confident | 25 Ų | 25 | 38.6 Ų | 38.6 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -114.8 | 108 | 176.6 | 178.3 | -4.2 | 0 | 0 | 0 | 109.6 | A601 T641 F645 N646 E647 E648 | A601-N643 HydrophobicContact CB-CB 4.17Å; T641-N643 PolarHBondContact O-N 2.88Å; N643-F645 PolarHBondContact O-N 3.41Å; N643-F645 VanDerWaalsContact O-N 3.12Å; N643-F645 WeakPolarHBondContact OD1-CB 2.89Å; N643-F645 WeakPolarHBondContact OD1-CD2 3.18Å; N643-F645 PolarHBondContact OD1-N 3.41Å; N643-F645 VanDerWaalsContact OD1-N 3.11Å; N643-N646 WeakPolarHBondContact CB-OD1 3.43Å; N643-N646 PolarHBondContact ND2-OD1 3.14Å; N643-N646 VanDerWaalsContact ND2-OD1 3.13Å; N643-N646 PolarHBondContact O-N 3.38Å; N643-N646 PolarHBondContact O-OD1 3.44Å; N643-E647 VanDerWaalsContact O-CA 3.23Å; N643-E647 WeakPolarHBondContact O-CA 3.19Å; N643-E647 PolarHBondContact O-N 2.89Å; N643-E648 PolarHBondContact N-O 3.04Å |
| 644 | E | 54.7 | Low | 75.5 | Confident | 84 Ų | 84 | 36.2 Ų | 36.2 | 39% | 0.393 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.5 | -175.7 | -161.2 | 178.9 | 177.9 | 0 | 0 | 113.4 | F579 F642 | F579-E644 VanDerWaalsContact CD1-OE2 3.27Å; F579-E644 WeakPolarHBondContact CD1-OE2 3.3Å; F579-E644 WeakPolarHBondContact CE1-OE2 3.19Å; F579-E644 VanDerWaalsContact CZ-OE2 3.24Å; F579-E644 WeakPolarHBondContact CZ-OE2 3.18Å; F642-E644 HydrophobicContact CE1-CB 3.97Å; F642-E644 HydrophobicContact CE1-CG 4.23Å |
| 645 | F | 56.1 | Low | 75.7 | Confident | 138 Ų | 138 | 37.3 Ų | 37.3 | 61% | 0.605 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -32.3 | -178.3 | -67 | -76 | 0 | 0 | 0 | 114.2 | W599 N643 | W599-F645 HydrophobicContact CB-CE2 4.04Å; W599-F645 HydrophobicContact CB-CZ 4.49Å; W599-F645 HydrophobicContact CE3-CE2 4.48Å; N643-F645 PolarHBondContact O-N 3.41Å; N643-F645 VanDerWaalsContact O-N 3.12Å; N643-F645 WeakPolarHBondContact OD1-CB 2.89Å; N643-F645 WeakPolarHBondContact OD1-CD2 3.18Å; N643-F645 PolarHBondContact OD1-N 3.41Å; N643-F645 VanDerWaalsContact OD1-N 3.11Å |
| 646 | N | 58.9 | Low | 76.1 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 2 | -177.6 | 67 | -2.1 | 0 | 0 | 0 | 113.2 | N643 E648 | N643-N646 WeakPolarHBondContact CB-OD1 3.43Å; N643-N646 PolarHBondContact ND2-OD1 3.14Å; N643-N646 VanDerWaalsContact ND2-OD1 3.13Å; N643-N646 PolarHBondContact O-N 3.38Å; N643-N646 PolarHBondContact O-OD1 3.44Å; N646-E648 WeakPolarHBondContact ND2-CG 3.3Å; N646-E648 PolarHBondContact ND2-OE2 2.86Å; N646-E648 PolarHBondContact O-N 2.98Å; N646-E648 VanDerWaalsContact O-N 3.12Å; N646-E648 VanDerWaalsContact OD1-CB 3.32Å; N646-E648 WeakPolarHBondContact OD1-CB 3.47Å; N646-E648 PolarHBondContact OD1-N 2.95Å |
| 647 | E | 59.1 | Low | 76.3 | Confident | 57 Ų | 57 | 35.1 Ų | 35.1 | 27% | 0.266 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 25.9 | -175.3 | -57.6 | -162.5 | -149.6 | 0 | 0 | 113.6 | F642 N643 M724 F759 | F642-E647 HydrophobicContact CE2-CB 4.38Å; N643-E647 VanDerWaalsContact O-CA 3.23Å; N643-E647 WeakPolarHBondContact O-CA 3.19Å; N643-E647 PolarHBondContact O-N 2.89Å; E647-M724 VanDerWaalsContact O-CE 3.27Å; E647-M724 WeakPolarHBondContact O-CE 3.3Å; E647-F759 HydrophobicContact CB-CD1 3.75Å; E647-F759 HydrophobicContact CB-CE1 3.59Å; E647-F759 HydrophobicContact CB-CZ 4.27Å; E647-F759 HydrophobicContact CG-CD1 4.2Å; E647-F759 HydrophobicContact CG-CE1 4.36Å; E647-F759 VanDerWaalsContact OE2-CB 3.24Å; E647-F759 WeakPolarHBondContact OE2-CB 3.42Å; E647-F759 WeakPolarHBondContact OE2-CD1 2.91Å; E647-F759 VanDerWaalsContact OE2-CG 3.3Å; E647-F759 WeakPolarHBondContact OE2-CG 3.32Å |
| 648 | E | 68.6 | Low | 76.2 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -68.3 | 147 | 170.5 | -77.6 | -176.8 | 152.4 | 0 | 0 | 110.5 | F642 N643 N646 D650 N720 M724 | F642-E648 WeakPolarHBondContact CA-O 3.35Å; N643-E648 PolarHBondContact N-O 3.04Å; N646-E648 WeakPolarHBondContact ND2-CG 3.3Å; N646-E648 PolarHBondContact ND2-OE2 2.86Å; N646-E648 PolarHBondContact O-N 2.98Å; N646-E648 VanDerWaalsContact O-N 3.12Å; N646-E648 VanDerWaalsContact OD1-CB 3.32Å; N646-E648 WeakPolarHBondContact OD1-CB 3.47Å; N646-E648 PolarHBondContact OD1-N 2.95Å; E648-D650 VanDerWaalsContact C-N 3.29Å; E648-D650 PolarHBondContact O-N 3.28Å; E648-N720 PolarHBondContact OE1-ND2 3.11Å; E648-M724 HydrophobicContact CG-CE 4.02Å |
| 649 | D | 77.4 | Confident | 76.1 | Confident | 30 Ų | 30 | 43.7 Ų | 43.7 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 33.2 | 179.2 | -54.2 | -29.6 | 0 | 0 | 0 | 114.7 | T641 I651 Y781 | T641-D649 PolarHBondContact OG1-OD2 2.83Å; D649-I651 PolarHBondContact O-N 2.81Å; D649-Y781 WeakPolarHBondContact CA-OH 3.44Å; D649-Y781 HydrophobicContact CB-CE1 4.16Å; D649-Y781 VanDerWaalsContact OD1-CE1 3.27Å; D649-Y781 WeakPolarHBondContact OD1-CE1 3.29Å; D649-Y781 VanDerWaalsContact OD1-CZ 3.28Å; D649-Y781 PolarHBondContact OD1-OH 2.97Å |
| 650 | D | 87 | Confident | 76.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -71.5 | 70.6 | 173.7 | -167.1 | 22.7 | 0 | 0 | 0 | 112.7 | A570 H571 F642 E648 S758 T776 | A570-D650 WeakPolarHBondContact CA-OD1 3.47Å; A570-D650 WeakPolarHBondContact CB-OD1 3.02Å; A570-D650 PolarHBondContact N-OD1 3.03Å; H571-D650 IonicContact CE1-OD2 2.67Å; H571-D650 IonicContact CG-OD1 3.92Å; H571-D650 PolarHBondContact N-OD1 2.9Å; H571-D650 IonicContact ND1-OD1 3.36Å; H571-D650 PolarHBondContact ND1-OD1 2.85Å; H571-D650 IonicContact ND1-OD2 3.43Å; H571-D650 PolarHBondContact ND1-OD2 2.88Å; F642-D650 HydrophobicContact CD2-CB 3.8Å; F642-D650 HydrophobicContact CE2-CB 3.72Å; E648-D650 VanDerWaalsContact C-N 3.29Å; E648-D650 PolarHBondContact O-N 3.28Å; D650-S758 WeakPolarHBondContact CB-OG 3.37Å; D650-S758 WeakPolarHBondContact OD2-CA 3.29Å; D650-S758 VanDerWaalsContact OD2-CB 3.32Å; D650-S758 WeakPolarHBondContact OD2-CB 3.47Å; D650-S758 PolarHBondContact OD2-OG 2.9Å; D650-T776 WeakPolarHBondContact O-CB 3.5Å; D650-T776 PolarHBondContact O-OG1 3.39Å | ||
| 651 | I | 91.5 | Very high | 76.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -144.6 | 140.8 | 178.5 | -177.4 | 165.7 | 0 | 0 | 0 | 110.1 | L567 T568 G640 D649 I756 T776 Y781 W784 | L567-I651 HydrophobicContact CD2-CD1 4.18Å; L567-I651 HydrophobicContact CD2-CG1 4.29Å; T568-I651 CarbonylContact O-C 3.2Å; T568-I651 WeakPolarHBondContact O-CA 3.3Å; G640-I651 PolarHBondContact N-O 2.93Å; D649-I651 PolarHBondContact O-N 2.81Å; I651-I756 HydrophobicContact CB-CD1 4.28Å; I651-I756 HydrophobicContact CD1-CD1 3.6Å; I651-I756 HydrophobicContact CG1-CD1 3.6Å; I651-T776 HydrophobicContact CB-CG2 4.11Å; I651-T776 HydrophobicContact CG2-CG2 4.47Å; I651-Y781 HydrophobicContact CD1-CD2 4.31Å; I651-Y781 HydrophobicContact CD1-CG 4.08Å; I651-Y781 HydrophobicContact CG2-CD1 3.76Å; I651-Y781 HydrophobicContact CG2-CD2 4.44Å; I651-Y781 HydrophobicContact CG2-CE1 3.88Å; I651-Y781 HydrophobicContact CG2-CG 4.08Å; I651-W784 HydrophobicContact CD1-CZ3 4.23Å; I651-W784 HydrophobicContact CG1-CZ3 4.28Å; I651-W784 HydrophobicContact CG2-CZ3 4.32Å | ||
| 652 | A | 90.5 | Very high | 76.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 146.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | T568 V573 I638 | T568-A652 HydrophobicContact CG2-CB 4.19Å; T568-A652 PolarHBondContact N-O 3.37Å; T568-A652 PolarHBondContact O-N 2.8Å; V573-A652 HydrophobicContact CG2-CB 3.88Å; I638-A652 CarbonylContact O-C 3.6Å; I638-A652 WeakPolarHBondContact O-CA 3.08Å |
| 653 | I | 92.1 | Very high | 77.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127 | 172.2 | -53.7 | 166.9 | 0 | 0 | 0 | 108.6 | L565 V566 L567 I638 W784 M785 V788 I789 | L565-I653 HydrophobicContact CD2-CG2 4.04Å; V566-I653 WeakPolarHBondContact O-CA 3.31Å; L567-I653 HydrophobicContact CD2-CG1 3.71Å; I638-I653 HydrophobicContact CB-CB 4.24Å; I638-I653 HydrophobicContact CD1-CB 4.47Å; I638-I653 PolarHBondContact N-O 3.48Å; I638-I653 PolarHBondContact O-N 2.89Å; I653-W784 HydrophobicContact CD1-CE3 4.38Å; I653-W784 HydrophobicContact CD1-CH2 3.61Å; I653-W784 HydrophobicContact CD1-CZ2 4.38Å; I653-W784 HydrophobicContact CD1-CZ3 3.61Å; I653-W784 HydrophobicContact CG1-CH2 3.72Å; I653-W784 HydrophobicContact CG1-CZ3 3.82Å; I653-M785 HydrophobicContact CD1-CG 4.12Å; I653-V788 HydrophobicContact CD1-CG2 3.7Å; I653-I789 HydrophobicContact CD1-CD1 4.23Å; I653-I789 HydrophobicContact CD1-CG1 3.97Å |
| 654 | L | 92.9 | Very high | 77.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.3 | 169.8 | -47.4 | -179.1 | 0 | 0 | 0 | 109.5 | I539 V566 T568 V573 V613 V615 V634 I637 | I539-L654 HydrophobicContact CD1-CD1 3.72Å; I539-L654 HydrophobicContact CG2-CD1 4.45Å; V566-L654 HydrophobicContact CB-CB 4.19Å; V566-L654 PolarHBondContact N-O 2.87Å; V566-L654 PolarHBondContact O-N 2.93Å; T568-L654 HydrophobicContact CG2-CD1 4.06Å; T568-L654 HydrophobicContact CG2-CD2 4.36Å; T568-L654 HydrophobicContact CG2-CG 4.07Å; V573-L654 HydrophobicContact CG1-CD2 4.04Å; V613-L654 HydrophobicContact CG1-CD1 4.2Å; V615-L654 HydrophobicContact CG2-CD1 4.06Å; V634-L654 HydrophobicContact CG1-CB 4.15Å; V634-L654 HydrophobicContact CG1-CD2 4.47Å; V634-L654 HydrophobicContact CG2-CB 4.29Å; V634-L654 HydrophobicContact CG2-CD1 4.33Å; I637-L654 HydrophobicContact CB-CD2 4.28Å; I637-L654 HydrophobicContact CG1-CD2 3.9Å; I637-L654 HydrophobicContact CG2-CD2 3.96Å |
| 655 | K | 89.4 | Confident | 79 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 14% | 0.135 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 114.7 | 171.9 | -177 | 68.5 | 177.8 | -173.3 | 0 | 109.7 | D564 L565 T635 H636 | D564-K655 VanDerWaalsContact CG-CE 3.48Å; D564-K655 IonicContact OD1-NZ 3.63Å; D564-K655 PolarHBondContact OD1-NZ 3.27Å; D564-K655 WeakPolarHBondContact OD2-CE 3.45Å; D564-K655 IonicContact OD2-NZ 3.6Å; D564-K655 PolarHBondContact OD2-NZ 3.26Å; L565-K655 HydrophobicContact CD2-CD 3.54Å; T635-K655 PolarHBondContact N-O 3.2Å; T635-K655 WeakPolarHBondContact OG1-CG 3.42Å; T635-K655 PolarHBondContact OG1-O 3.44Å; H636-K655 HydrophobicContact CB-CB 4.07Å; H636-K655 PolarHBondContact O-N 2.84Å |
| 656 | L | 89.1 | Confident | 80.5 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 158.4 | 177.2 | -54.5 | 178.6 | 0 | 0 | 0 | 111.3 | D564 V566 V615 F617 Y632 A633 V634 R658 V660 | D564-L656 HydrophobicContact CB-CB 4.15Å; D564-L656 WeakPolarHBondContact O-CB 3.41Å; D564-L656 WeakPolarHBondContact O-CG 3.46Å; D564-L656 PolarHBondContact O-N 3.1Å; V566-L656 HydrophobicContact CG2-CD1 3.86Å; V566-L656 HydrophobicContact CG2-CD2 4.02Å; V566-L656 HydrophobicContact CG2-CG 4.01Å; V615-L656 HydrophobicContact CB-CD2 4.08Å; V615-L656 HydrophobicContact CG1-CD2 4.46Å; V615-L656 HydrophobicContact CG2-CD2 4.01Å; F617-L656 HydrophobicContact CE2-CD1 3.79Å; F617-L656 HydrophobicContact CZ-CD1 4.31Å; Y632-L656 HydrophobicContact CD1-CD1 4.42Å; Y632-L656 HydrophobicContact CG-CD1 4.21Å; A633-L656 WeakPolarHBondContact O-CA 3.33Å; V634-L656 HydrophobicContact CG2-CD2 4.31Å; L656-R658 PolarHBondContact O-N 3.12Å; L656-V660 HydrophobicContact CD1-CG2 3.48Å; L656-V660 VanDerWaalsContact CD1-CG2 3.48Å |
| 657 | N | 84.3 | Confident | 81.8 | Confident | 70 Ų | 70 | 39.6 Ų | 39.6 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -71.9 | -12 | -178.9 | 71.9 | -57.7 | 0 | 0 | 0 | 114.9 | A633 T635 | A633-N657 HydrophobicContact CB-CB 4.41Å; A633-N657 PolarHBondContact N-OD1 2.92Å; A633-N657 VanDerWaalsContact N-OD1 3.15Å; A633-N657 PolarHBondContact O-N 3.41Å; A633-N657 PolarHBondContact O-OD1 3.17Å; T635-N657 HydrophobicContact CG2-CB 3.67Å |
| 658 | R | 80.9 | Confident | 83.2 | Confident | 130 Ų | 130 | 37 Ų | 37 | 49% | 0.491 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -162.6 | 160.5 | 176.5 | 59.1 | 176.7 | -175.2 | -96.6 | -11 | 109.1 | K631 Y632 L656 | K631-R658 PolarHBondContact O-NH2 3.26Å; Y632-R658 HydrophobicContact CD1-CG 3.85Å; Y632-R658 HydrophobicContact CE1-CG 3.75Å; L656-R658 PolarHBondContact O-N 3.12Å |
| 659 | K | 80.4 | Confident | 84.3 | Confident | 89 Ų | 89 | 34.7 Ų | 34.7 | 39% | 0.387 | 16% | 0.158 | S | C | . | . | trans | -62.3 | 141.9 | 173.8 | -65.1 | -172.5 | 179.1 | -174.5 | 0 | 111.5 | S562 D564 | S562-K659 WeakPolarHBondContact OG-CD 3.29Å; D564-K659 HydrophobicContact CB-CG 4.14Å | ||
| 660 | V | 82.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -78.2 | 129.9 | 177 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | L554 S562 S563 F617 Y632 L656 Y662 I666 | L554-V660 HydrophobicContact CD1-CB 4.34Å; L554-V660 HydrophobicContact CD1-CG2 3.97Å; L554-V660 HydrophobicContact CD2-CB 4.1Å; L554-V660 HydrophobicContact CD2-CG1 3.86Å; L554-V660 HydrophobicContact CD2-CG2 4.36Å; S562-V660 VanDerWaalsContact CB-O 3.31Å; S562-V660 WeakPolarHBondContact CB-O 3.48Å; S563-V660 WeakPolarHBondContact O-CB 3.42Å; S563-V660 WeakPolarHBondContact O-CG2 3.32Å; S563-V660 PolarHBondContact O-N 3.23Å; F617-V660 HydrophobicContact CD2-CG1 4.19Å; F617-V660 HydrophobicContact CD2-CG2 4.03Å; F617-V660 HydrophobicContact CE2-CG2 3.74Å; Y632-V660 HydrophobicContact CD1-CG2 4.27Å; Y632-V660 HydrophobicContact CD2-CG2 4.23Å; Y632-V660 HydrophobicContact CE1-CB 4.46Å; Y632-V660 HydrophobicContact CE1-CG2 3.99Å; Y632-V660 HydrophobicContact CE2-CB 4.42Å; Y632-V660 HydrophobicContact CE2-CG1 4.04Å; Y632-V660 HydrophobicContact CE2-CG2 3.96Å; Y632-V660 HydrophobicContact CG-CG2 4.4Å; Y632-V660 WeakPolarHBondContact OH-CA 3.36Å; L656-V660 HydrophobicContact CD1-CG2 3.48Å; L656-V660 VanDerWaalsContact CD1-CG2 3.48Å; V660-Y662 HydrophobicContact CB-CE1 4.47Å; V660-Y662 HydrophobicContact CG1-CD1 4.47Å; V660-Y662 PolarHBondContact O-N 2.89Å; V660-I666 HydrophobicContact CG1-CG2 3.52Å | ||
| 661 | N | 74.1 | Confident | 84.9 | Confident | 110 Ų | 110 | 35 Ų | 35 | 59% | 0.588 | 16% | 0.16 | S | C | * | . | trans | -78.5 | 107.4 | 176.9 | -68.5 | -22.2 | 0 | 0 | 0 | 109.7 | Y632 | Y632-N661 PolarHBondContact OH-N 2.82Š| ||
| 662 | Y | 75.5 | Confident | 84.7 | Confident | 46 Ų | 46 | 35.4 Ų | 35.4 | 18% | 0.18 | 16% | 0.163 | C | C | . | . | trans | -67.6 | 142.2 | 177.5 | -70.3 | 7.7 | 0 | 0 | 0 | 110.7 | L554 N561 S563 V660 I666 G668 | L554-Y662 HydrophobicContact CD2-CD1 4.33Å; L554-Y662 HydrophobicContact CD2-CE1 3.62Å; L554-Y662 HydrophobicContact CG-CE1 4.21Å; N561-Y662 WeakPolarHBondContact O-CD2 3.31Å; S563-Y662 WeakPolarHBondContact CB-OH 2.97Å; V660-Y662 HydrophobicContact CB-CE1 4.47Å; V660-Y662 HydrophobicContact CG1-CD1 4.47Å; V660-Y662 PolarHBondContact O-N 2.89Å; Y662-I666 CarbonylContact C-O 3.41Å; Y662-I666 WeakPolarHBondContact CA-O 3.45Å; Y662-G668 VanDerWaalsContact CE2-N 3.34Å; Y662-G668 VanDerWaalsContact OH-CA 3.29Å; Y662-G668 WeakPolarHBondContact OH-CA 3.43Å; Y662-G668 PolarHBondContact OH-N 2.84Å | ||
| 663 | N | 73.3 | Confident | 84.2 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 31% | 0.305 | 19% | 0.185 | S | C | . | . | B | Isolated β-bridge | trans | -155.5 | -172.1 | 176.4 | 62.7 | 42.5 | 0 | 0 | 0 | 109.5 | Q630 Y665 I666 Q667 | Q630-N663 PolarHBondContact NE2-ND2 3.17Å; Q630-N663 VanDerWaalsContact NE2-ND2 3.17Å; N663-Y665 PolarHBondContact O-N 3.25Å; N663-Y665 WeakPolarHBondContact OD1-CA 3.5Å; N663-Y665 WeakPolarHBondContact OD1-CB 3.4Å; N663-Y665 PolarHBondContact OD1-N 2.67Å; N663-I666 PolarHBondContact N-O 2.86Å; N663-I666 PolarHBondContact O-N 2.95Å; N663-I666 PolarHBondContact OD1-N 2.89Å; N663-Q667 WeakPolarHBondContact O-CG 3.36Å |
| 664 | K | 71.8 | Confident | 83.4 | Confident | 91 Ų | 91 | 41.7 Ų | 41.7 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -22.7 | 179.2 | 55 | 165.2 | 160 | 168.3 | 0 | 115.2 | Y509 | Y509-K664 HydrophobicContact CG-CB 4.32Š|
| 665 | Y | 83.4 | Confident | 82.5 | Confident | 55 Ų | 55 | 49 Ų | 49 | 22% | 0.216 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -14.6 | -176.8 | -46.2 | -64.5 | 0 | 0 | 0 | 114 | F510 H531 P534 T628 N663 | F510-Y665 AromaticContact CE2-CD1 3.84Å; F510-Y665 HydrophobicContact CE2-CD1 3.84Å; F510-Y665 AromaticContact CE2-CE1 3.9Å; F510-Y665 HydrophobicContact CE2-CE1 3.9Å; F510-Y665 HydrophobicContact CZ-CE1 4.14Å; H531-Y665 HydrophobicContact CB-CD1 3.79Å; H531-Y665 AromaticContact CD2-CD1 3.46Å; H531-Y665 VanDerWaalsContact CD2-CD1 3.46Å; H531-Y665 WeakPolarHBondContact CD2-CD1 3.31Å; H531-Y665 AromaticContact CD2-CE1 3.76Å; H531-Y665 AromaticContact CG-CD1 3.47Å; H531-Y665 VanDerWaalsContact CG-CD1 3.47Å; P534-Y665 WeakPolarHBondContact CA-O 3.41Å; P534-Y665 WeakPolarHBondContact CB-O 3.27Å; T628-Y665 HydrophobicContact CG2-CD1 4.11Å; T628-Y665 HydrophobicContact CG2-CD2 3.45Å; T628-Y665 VanDerWaalsContact CG2-CD2 3.45Å; T628-Y665 HydrophobicContact CG2-CE1 4.05Å; T628-Y665 HydrophobicContact CG2-CE2 3.36Å; T628-Y665 HydrophobicContact CG2-CG 3.8Å; N663-Y665 PolarHBondContact O-N 3.25Å; N663-Y665 WeakPolarHBondContact OD1-CA 3.5Å; N663-Y665 WeakPolarHBondContact OD1-CB 3.4Å; N663-Y665 PolarHBondContact OD1-N 2.67Å |
| 666 | I | 88.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -136.7 | 117.2 | -173.8 | -58.2 | 170.5 | 0 | 0 | 0 | 109.1 | P534 L554 F617 Q630 V660 Y662 N663 | P534-I666 WeakPolarHBondContact O-CA 3.5Å; L554-I666 HydrophobicContact CD2-CG2 3.92Å; F617-I666 HydrophobicContact CB-CD1 3.76Å; F617-I666 HydrophobicContact CB-CG1 3.91Å; F617-I666 HydrophobicContact CB-CG2 3.83Å; F617-I666 HydrophobicContact CG-CG2 4.29Å; Q630-I666 HydrophobicContact CB-CD1 3.93Å; Q630-I666 VanDerWaalsContact CD-CD1 3.48Å; Q630-I666 HydrophobicContact CG-CD1 3.61Å; V660-I666 HydrophobicContact CG1-CG2 3.52Å; Y662-I666 CarbonylContact C-O 3.41Å; Y662-I666 WeakPolarHBondContact CA-O 3.45Å; N663-I666 PolarHBondContact N-O 2.86Å; N663-I666 PolarHBondContact O-N 2.95Å; N663-I666 PolarHBondContact OD1-N 2.89Å |
| 667 | Q | 85.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | trans | -150.9 | 156.3 | -177.3 | -55.3 | -178.4 | 14.4 | 0 | 0 | 109.8 | H341 K507 P534 W535 N663 | H341-Q667 PolarHBondContact CE1-NE2 3Å; H341-Q667 VanDerWaalsContact CE1-NE2 3.3Å; H341-Q667 PolarHBondContact NE2-NE2 3.04Å; K507-Q667 PolarHBondContact O-OE1 2.85Å; P534-Q667 CarbonylContact C-O 3.5Å; P534-Q667 HydrophobicContact CB-CB 3.96Å; P534-Q667 HydrophobicContact CB-CG 4.02Å; P534-Q667 HydrophobicContact CG-CB 3.86Å; P534-Q667 HydrophobicContact CG-CG 4.09Å; P534-Q667 PolarHBondContact O-N 2.71Å; P534-Q667 VanDerWaalsContact O-N 3.11Å; W535-Q667 WeakPolarHBondContact CA-O 3.13Å; W535-Q667 VanDerWaalsContact CB-O 3.29Å; W535-Q667 WeakPolarHBondContact CB-O 3.3Å; W535-Q667 PolarHBondContact N-O 3.26Å; N663-Q667 WeakPolarHBondContact O-CG 3.36Å | ||
| 668 | G | 88.7 | Confident | 80 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 144.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | G506 L554 Y662 | G506-G668 PolarHBondContact N-O 3.21Å; L554-G668 WeakPolarHBondContact O-CA 3.42Å; Y662-G668 VanDerWaalsContact CE2-N 3.34Å; Y662-G668 VanDerWaalsContact OH-CA 3.29Å; Y662-G668 WeakPolarHBondContact OH-CA 3.43Å; Y662-G668 PolarHBondContact OH-N 2.84Å |
| 669 | I | 91.9 | Very high | 79.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 148.5 | 169.1 | -164.6 | 165.3 | 0 | 0 | 0 | 110.6 | W535 L554 D556 A744 Y751 L753 | W535-I669 HydrophobicContact CB-CB 3.89Å; W535-I669 HydrophobicContact CB-CG2 4.33Å; W535-I669 HydrophobicContact CD2-CB 3.77Å; W535-I669 HydrophobicContact CD2-CD1 4.07Å; W535-I669 HydrophobicContact CD2-CG1 4.1Å; W535-I669 HydrophobicContact CE3-CB 4.02Å; W535-I669 HydrophobicContact CE3-CG1 4.32Å; W535-I669 HydrophobicContact CG-CB 3.71Å; W535-I669 HydrophobicContact CG-CD1 4.28Å; W535-I669 HydrophobicContact CG-CG1 4.4Å; W535-I669 HydrophobicContact CG-CG2 4.4Å; W535-I669 HydrophobicContact CZ2-CD1 4.33Å; L554-I669 PolarHBondContact O-N 3.44Å; D556-I669 PolarHBondContact N-O 2.93Å; I669-A744 HydrophobicContact CD1-CB 3.53Å; I669-Y751 WeakPolarHBondContact CG1-O 3.13Å; I669-L753 HydrophobicContact CD1-CB 3.96Å; I669-L753 HydrophobicContact CD1-CD1 4.41Å; I669-L753 HydrophobicContact CG1-CB 4.21Å; I669-L753 HydrophobicContact CG2-CB 3.77Å; I669-L753 HydrophobicContact CG2-CD2 4.14Å; I669-L753 HydrophobicContact CG2-CG 4.39Å |
| 670 | C | 88.1 | Confident | 78.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 145.8 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | C505 Y751 V752 L753 | C505-C670 HydrophobicContact CB-CB 4.06Å; C505-C670 WeakPolarHBondContact CB-SG 3.34Å; C505-C670 PolarHBondContact O-SG 2.93Å; C505-C670 WeakPolarHBondContact SG-CA 3.37Å; C505-C670 WeakPolarHBondContact SG-CB 3.18Å; C505-C670 CovalentContact SG-SG 2.03Å; C505-C670 PolarHBondContact SG-SG 2.82Å; C670-Y751 WeakPolarHBondContact CB-O 3.23Å; C670-Y751 PolarHBondContact N-O 2.83Å; C670-V752 HydrophobicContact CB-CG2 4.16Å; C670-V752 WeakPolarHBondContact O-CA 3.28Å; C670-L753 PolarHBondContact O-N 2.88Å |
| 671 | L | 88.8 | Confident | 77.7 | Confident | 37 Ų | 37 | 57 Ų | 57 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -89 | 148 | 165.6 | -67.5 | 176.9 | 0 | 0 | 0 | 111.1 | I555 W557 L567 L753 V778 L782 M785 | I555-L671 HydrophobicContact CB-CD2 4.34Å; I555-L671 HydrophobicContact CB-CG 4.46Å; I555-L671 HydrophobicContact CD1-CD1 4.36Å; I555-L671 HydrophobicContact CG2-CD2 3.88Å; W557-L671 HydrophobicContact CE3-CD1 3.48Å; W557-L671 VanDerWaalsContact CE3-CD1 3.48Å; W557-L671 HydrophobicContact CZ3-CD1 3.68Å; L567-L671 HydrophobicContact CD1-CD2 4.32Å; L671-L753 HydrophobicContact CD2-CD2 4.34Å; L671-V778 HydrophobicContact CD2-CG1 4.07Å; L671-L782 HydrophobicContact CB-CD2 4.3Å; L671-L782 HydrophobicContact CD1-CD2 4.18Å; L671-M785 HydrophobicContact CD1-CE 4.12Å |
| 672 | P | 86.8 | Confident | 77 | Confident | 8 Ų | 8 | 56 Ų | 56 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -71 | 162.9 | 173.1 | 29.2 | -33.5 | 0 | 0 | 0 | 110.9 | E676 V752 L753 Y754 V778 T779 L782 | P672-E676 HydrophobicContact CB-CB 4.33Å; P672-V752 HydrophobicContact CB-CG1 3.81Å; P672-V752 HydrophobicContact CG-CG1 4.36Å; P672-L753 WeakPolarHBondContact CD-O 3.49Å; P672-Y754 HydrophobicContact CB-CD1 4.44Å; P672-Y754 HydrophobicContact CB-CE1 4.2Å; P672-V778 HydrophobicContact CG-CG1 4.2Å; P672-T779 HydrophobicContact CB-CG2 3.65Å; P672-T779 HydrophobicContact CG-CG2 3.46Å; P672-T779 VanDerWaalsContact CG-CG2 3.46Å; P672-L782 HydrophobicContact CG-CD1 4.41Å; P672-L782 WeakPolarHBondContact O-CD1 3.34Å |
| 673 | S | 80.3 | Confident | 76.5 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 46% | 0.462 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 157.4 | 167.8 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | D675 E676 | S673-D675 VanDerWaalsContact C-N 3.32Å; S673-D675 PolarHBondContact O-N 2.92Å; S673-E676 PolarHBondContact N-OE2 2.9Å; S673-E676 WeakPolarHBondContact O-CB 3.17Å; S673-E676 PolarHBondContact O-N 2.6Å; S673-E676 VanDerWaalsContact OG-CB 3.31Å; S673-E676 WeakPolarHBondContact OG-CB 3.26Å; S673-E676 PolarHBondContact OG-OE2 2.93Å |
| 674 | I | 74.7 | Confident | 76.8 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -40.9 | -176.2 | -69.6 | 161.9 | 0 | 0 | 0 | 111.3 | E676 L782 N783 | I674-E676 PolarHBondContact O-N 2.81Å; I674-L782 HydrophobicContact CG1-CB 3.85Å; I674-L782 HydrophobicContact CG1-CD1 3.86Å; I674-N783 VanDerWaalsContact CD1-OD1 3.29Å; I674-N783 WeakPolarHBondContact CD1-OD1 3.42Å |
| 675 | D | 75.1 | Confident | 77.4 | Confident | 154 Ų | 154 | 51.9 Ų | 51.9 | 82% | 0.824 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 12.8 | -178.9 | -51 | -45.6 | 0 | 0 | 0 | 112.1 | S673 E677 | S673-D675 VanDerWaalsContact C-N 3.32Å; S673-D675 PolarHBondContact O-N 2.92Å; D675-E677 PolarHBondContact O-N 3.16Å |
| 676 | E | 74.2 | Confident | 77.6 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 130.3 | -177.3 | -152.2 | 160.3 | 137.8 | 0 | 0 | 111.9 | P672 S673 I674 K747 Y754 T779 | P672-E676 HydrophobicContact CB-CB 4.33Å; S673-E676 PolarHBondContact N-OE2 2.9Å; S673-E676 WeakPolarHBondContact O-CB 3.17Å; S673-E676 PolarHBondContact O-N 2.6Å; S673-E676 VanDerWaalsContact OG-CB 3.31Å; S673-E676 WeakPolarHBondContact OG-CB 3.26Å; S673-E676 PolarHBondContact OG-OE2 2.93Å; I674-E676 PolarHBondContact O-N 2.81Å; E676-K747 VanDerWaalsContact CG-NZ 3.25Å; E676-K747 WeakPolarHBondContact OE1-CD 3.25Å; E676-K747 IonicContact OE1-NZ 2.58Å; E676-K747 PolarHBondContact OE1-NZ 3.43Å; E676-K747 IonicContact OE2-NZ 3.39Å; E676-Y754 PolarHBondContact OE1-OH 3.27Å; E676-T779 HydrophobicContact CB-CG2 4.45Å |
| 677 | E | 68 | Low | 77.5 | Confident | 169 Ų | 169 | 49.9 Ų | 49.9 | 79% | 0.79 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -62 | 165.3 | 172.4 | -65.6 | -173.7 | 173 | 0 | 0 | 112 | D675 | D675-E677 PolarHBondContact O-N 3.16Š|
| 678 | L | 68.6 | Low | 77.7 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -52.5 | 156.8 | 175 | -70.8 | 172.7 | 0 | 0 | 0 | 111.2 | D711 L725 | L678-D711 HydrophobicContact CD1-CB 4.45Å; L678-D711 WeakPolarHBondContact CD1-OD1 3.48Å; L678-L725 HydrophobicContact CD2-CD2 3.25Å |
| 679 | P | 66.3 | Low | 77.6 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -49.2 | 137.7 | 176 | -18.2 | 24.4 | 0 | 0 | 0 | 110.2 | Q681 M709 C745 Y754 | P679-Q681 PolarHBondContact O-N 3.24Å; P679-M709 HydrophobicContact CB-CG 4.23Å; P679-M709 HydrophobicContact CG-CE 4.46Å; P679-M709 HydrophobicContact CG-CG 4.24Å; P679-C745 HydrophobicContact CB-CB 4.38Å; P679-Y754 HydrophobicContact CB-CD2 4.37Å; P679-Y754 HydrophobicContact CB-CE2 4.45Å; P679-Y754 HydrophobicContact CB-CG 4.43Å; P679-Y754 HydrophobicContact CG-CD1 3.88Å; P679-Y754 HydrophobicContact CG-CD2 4.08Å; P679-Y754 HydrophobicContact CG-CE1 4.4Å; P679-Y754 HydrophobicContact CG-CG 3.69Å |
| 680 | P | 65.1 | Low | 77.3 | Confident | 61 Ų | 61 | 49.5 Ų | 49.5 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 131.2 | -175 | 18 | -28.5 | 0 | 0 | 0 | 110.5 | G682 G683 | P680-G682 PolarHBondContact O-N 3.18Å; P680-G683 WeakPolarHBondContact O-CA 3.29Å; P680-G683 PolarHBondContact O-N 3.45Å |
| 681 | Q | 62.5 | Low | 76.5 | Confident | 160 Ų | 160 | 49.4 Ų | 49.4 | 75% | 0.748 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 126.4 | 177 | -70.5 | -169.9 | 8.7 | 0 | 0 | 109.6 | P679 G683 | P679-Q681 PolarHBondContact O-N 3.24Å; Q681-G683 VanDerWaalsContact C-N 3.27Å |
| 682 | G | 59.7 | Low | 75.6 | Confident | 88 Ų | 88 | 48.3 Ų | 48.3 | 91% | 0.907 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 3.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P680 | P680-G682 PolarHBondContact O-N 3.18Š|
| 683 | G | 65.6 | Low | 74.5 | Confident | 24 Ų | 24 | 49 Ų | 49 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | trans | -69.1 | 153.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P680 Q681 C685 | P680-G683 WeakPolarHBondContact O-CA 3.29Å; P680-G683 PolarHBondContact O-N 3.45Å; Q681-G683 VanDerWaalsContact C-N 3.27Å; G683-C685 PolarHBondContact O-N 3.29Å | ||
| 684 | R | 79.5 | Confident | 73.2 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 32% | 0.317 | 27% | 0.265 | S | S | . | . | trans | -84.2 | 102.5 | -177 | -55.1 | -170.8 | 68.9 | -174.3 | 0.9 | 110 | V513 F686 E706 C745 L746 | V513-R684 VanDerWaalsContact CG2-CZ 3.41Å; V513-R684 VanDerWaalsContact CG2-NH2 3.34Å; R684-F686 HydrophobicContact CB-CE2 4.07Å; R684-E706 VanDerWaalsContact CB-OE1 3.3Å; R684-E706 WeakPolarHBondContact CB-OE1 3.27Å; R684-E706 VanDerWaalsContact CG-OE1 3.24Å; R684-E706 WeakPolarHBondContact CG-OE1 3.34Å; R684-E706 IonicContact CZ-OE1 3.88Å; R684-E706 IonicContact NE-OE1 3.54Å; R684-E706 PolarHBondContact NE-OE1 3.43Å; R684-E706 IonicContact NE-OE2 3.66Å; R684-E706 IonicContact NH2-OE2 3.15Å; R684-E706 PolarHBondContact NH2-OE2 3.22Å; R684-C745 WeakPolarHBondContact O-CA 3.19Å; R684-L746 HydrophobicContact CB-CB 4.38Å; R684-L746 PolarHBondContact O-N 2.75Å | ||
| 685 | C | 85 | Confident | 72.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.4 | 178.7 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | G683 E706 V707 L743 A744 C745 | G683-C685 PolarHBondContact O-N 3.29Å; C685-E706 CarbonylContact O-C 3.57Å; C685-E706 VanDerWaalsContact O-CA 3.28Å; C685-E706 WeakPolarHBondContact O-CA 3.46Å; C685-V707 HydrophobicContact CB-CG2 3.75Å; C685-V707 PolarHBondContact O-N 3.36Å; C685-L743 HydrophobicContact CB-CD1 4.1Å; C685-A744 CarbonylContact C-O 3.47Å; C685-A744 WeakPolarHBondContact CA-O 3.48Å; C685-C745 HydrophobicContact CB-CB 4.1Å; C685-C745 WeakPolarHBondContact CB-SG 3.27Å; C685-C745 WeakPolarHBondContact SG-CB 3.36Å; C685-C745 CovalentContact SG-SG 2.05Å; C685-C745 PolarHBondContact SG-SG 3.04Å |
| 686 | F | 87.1 | Confident | 71.3 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.7 | 178.9 | -63.5 | -88.9 | 0 | 0 | 0 | 111.1 | R684 F705 E706 A744 Y751 | R684-F686 HydrophobicContact CB-CE2 4.07Å; F686-F705 VanDerWaalsContact CA-O 3.29Å; F686-F705 WeakPolarHBondContact CA-O 3.47Å; F686-E706 HydrophobicContact CD1-CB 3.99Å; F686-E706 HydrophobicContact CD1-CG 4.45Å; F686-E706 HydrophobicContact CE1-CB 3.7Å; F686-E706 HydrophobicContact CE1-CG 4.02Å; F686-E706 HydrophobicContact CZ-CB 4.34Å; F686-E706 HydrophobicContact CZ-CG 4.16Å; F686-A744 PolarHBondContact N-O 3.36Å; F686-A744 PolarHBondContact O-N 2.96Å; F686-Y751 AromaticContact CD2-CE1 3.96Å; F686-Y751 HydrophobicContact CD2-CE1 3.96Å; F686-Y751 HydrophobicContact CE2-CE1 4.24Å |
| 687 | V | 86.7 | Confident | 70.7 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.3 | 163.9 | -62.4 | 0 | 0 | 0 | 0 | 108.5 | Q704 F705 V707 L743 I757 F775 | V687-Q704 WeakPolarHBondContact O-CA 3.41Å; V687-F705 HydrophobicContact CG2-CB 3.93Å; V687-F705 HydrophobicContact CG2-CD1 4.24Å; V687-F705 PolarHBondContact N-O 2.84Å; V687-F705 PolarHBondContact O-N 3.47Å; V687-V707 HydrophobicContact CB-CG1 4.48Å; V687-V707 HydrophobicContact CG1-CG1 3.86Å; V687-V707 HydrophobicContact CG1-CG2 4.23Å; V687-V707 HydrophobicContact CG2-CG1 3.81Å; V687-L743 HydrophobicContact CG1-CD1 3.8Å; V687-I757 HydrophobicContact CB-CD1 4.18Å; V687-F775 HydrophobicContact CG1-CE1 3.54Å; V687-F775 HydrophobicContact CG1-CZ 3.79Å |
| 688 | T | 88.3 | Confident | 70.7 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 145.7 | -175.6 | 46.7 | 0 | 0 | 0 | 0 | 112.3 | H533 Q536 Q703 Q704 P742 | H533-T688 HydrophobicContact CB-CG2 4.45Å; Q536-T688 PolarHBondContact OE1-O 3.36Å; Q536-T688 PolarHBondContact OE1-OG1 2.86Å; T688-Q703 VanDerWaalsContact CA-O 3.31Å; T688-Q703 WeakPolarHBondContact CA-O 3.46Å; T688-Q704 HydrophobicContact CG2-CB 3.63Å; T688-P742 WeakPolarHBondContact OG1-CG 3.24Å |
| 689 | G | 87.1 | Confident | 70.9 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176 | -177.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L702 Q703 D738 | G689-L702 WeakPolarHBondContact O-CD1 3.47Å; G689-Q703 PolarHBondContact N-O 2.8Å; G689-Q703 PolarHBondContact O-N 2.98Å; G689-D738 VanDerWaalsContact C-OD1 3.28Å; G689-D738 WeakPolarHBondContact CA-OD1 3.06Å |
| 690 | W | 85.2 | Confident | 71.6 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | trans | -114.5 | 19.1 | 177 | -65 | -90.4 | 0 | 0 | 0 | 111.1 | Q536 L538 K549 A619 H620 I622 L702 D738 | Q536-W690 HydrophobicContact CG-CH2 3.57Å; Q536-W690 HydrophobicContact CG-CZ3 3.62Å; L538-W690 HydrophobicContact CB-CE3 4.42Å; L538-W690 HydrophobicContact CB-CH2 3.96Å; L538-W690 HydrophobicContact CB-CZ3 3.76Å; L538-W690 HydrophobicContact CD1-CD2 4.38Å; L538-W690 HydrophobicContact CD1-CE3 3.83Å; L538-W690 HydrophobicContact CD1-CZ3 4.04Å; L538-W690 HydrophobicContact CG-CZ3 4.46Å; K549-W690 HydrophobicContact CD-CB 4.22Å; K549-W690 WeakPolarHBondContact CE-O 3.44Å; K549-W690 PolarHBondContact NZ-O 3.03Å; A619-W690 HydrophobicContact CB-CZ2 4.44Å; A619-W690 WeakPolarHBondContact O-CZ2 3.47Å; H620-W690 PolarHBondContact O-NE1 2.65Å; H620-W690 VanDerWaalsContact O-NE1 3.1Å; I622-W690 HydrophobicContact CD1-CB 4.36Å; I622-W690 HydrophobicContact CD1-CG 4.36Å; I622-W690 HydrophobicContact CG2-CD2 4.08Å; I622-W690 HydrophobicContact CG2-CG 4.11Å; I622-W690 HydrophobicContact CG2-CZ2 4.2Å; W690-L702 HydrophobicContact CD2-CD1 3.75Å; W690-L702 HydrophobicContact CE3-CD1 3.89Å; W690-L702 HydrophobicContact CG-CD1 4.46Å; W690-L702 HydrophobicContact CH2-CD1 3.79Å; W690-L702 HydrophobicContact CZ2-CB 3.92Å; W690-L702 HydrophobicContact CZ2-CD1 3.63Å; W690-L702 HydrophobicContact CZ2-CG 4.22Å; W690-L702 HydrophobicContact CZ3-CD1 3.91Å; W690-L702 VanDerWaalsContact NE1-CA 3.35Å; W690-D738 PolarHBondContact N-OD1 3.31Å | ||
| 691 | G | 73 | Confident | 72.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -61 | 167.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I693 P699 E736 D738 | G691-I693 PolarHBondContact O-N 2.7Å; G691-P699 WeakPolarHBondContact O-CD 3.28Å; G691-P699 VanDerWaalsContact O-CG 3.28Å; G691-P699 WeakPolarHBondContact O-CG 3.5Å; G691-E736 WeakPolarHBondContact CA-O 3.36Å; G691-D738 VanDerWaalsContact CA-OD1 3.3Å; G691-D738 WeakPolarHBondContact CA-OD1 3.22Å; G691-D738 PolarHBondContact N-OD1 3.19Å | ||
| 692 | S | 68.8 | Low | 73.8 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | trans | -55.3 | 137 | -177.7 | 154.1 | 0 | 0 | 0 | 0 | 111.8 | G694 Q697 D735 E736 | S692-G694 VanDerWaalsContact C-N 3.29Å; S692-G694 PolarHBondContact O-N 3.09Å; S692-G694 PolarHBondContact OG-N 3.06Å; S692-Q697 WeakPolarHBondContact CA-O 3.45Å; S692-D735 WeakPolarHBondContact CB-OD2 3.3Å; S692-D735 WeakPolarHBondContact O-CB 3.3Å; S692-D735 PolarHBondContact OG-OD2 3.11Å; S692-E736 PolarHBondContact N-O 2.94Å | ||
| 693 | I | 63.5 | Low | 75.1 | Confident | 22 Ų | 22 | 35.9 Ų | 35.9 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | trans | -90.3 | 13.4 | -175.3 | 59.3 | 165.7 | 0 | 0 | 0 | 114.4 | R521 I522 G691 Q697 P699 Q703 | R521-I693 VanDerWaalsContact O-CB 3.24Å; R521-I693 WeakPolarHBondContact O-CB 3.38Å; R521-I693 VanDerWaalsContact O-CD1 3.31Å; R521-I693 WeakPolarHBondContact O-CD1 3.49Å; R521-I693 WeakPolarHBondContact O-CG2 3.28Å; I522-I693 HydrophobicContact CB-CG2 4.17Å; I522-I693 HydrophobicContact CD1-CG2 4.38Å; I522-I693 HydrophobicContact CG1-CB 4.05Å; I522-I693 HydrophobicContact CG1-CG2 3.28Å; G691-I693 PolarHBondContact O-N 2.7Å; I693-Q697 HydrophobicContact CD1-CB 4.24Å; I693-Q697 HydrophobicContact CG1-CB 3.92Å; I693-Q697 WeakPolarHBondContact CG1-O 3.17Å; I693-Q697 PolarHBondContact N-O 3.1Å; I693-P699 HydrophobicContact CG2-CB 3.68Å; I693-P699 VanDerWaalsContact CG2-CD 3.48Å; I693-P699 HydrophobicContact CG2-CG 3.44Å; I693-P699 VanDerWaalsContact CG2-CG 3.44Å; I693-Q703 HydrophobicContact CG2-CG 4.3Å | ||
| 694 | G | 53.3 | Low | 75.9 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 17% | 0.165 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 80.5 | 156.5 | -162.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S692 G696 | S692-G694 VanDerWaalsContact C-N 3.29Å; S692-G694 PolarHBondContact O-N 3.09Å; S692-G694 PolarHBondContact OG-N 3.06Å; G694-G696 PolarHBondContact O-N 2.83Å |
| 695 | N | 55.3 | Low | 75.8 | Confident | 127 Ų | 127 | 33.6 Ų | 33.6 | 68% | 0.679 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 12.8 | -168.3 | -57.6 | -17.9 | 0 | 0 | 0 | 115.4 | Q697 | N695-Q697 VanDerWaalsContact C-N 3.26Å; N695-Q697 PolarHBondContact O-N 3.31Å |
| 696 | G | 54.3 | Low | 75.5 | Confident | 67 Ų | 67 | 37.1 Ų | 37.1 | 69% | 0.691 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 13.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G694 | G694-G696 PolarHBondContact O-N 2.83Š|
| 697 | Q | 62.5 | Low | 75 | Confident | 126 Ų | 126 | 37.6 Ų | 37.6 | 59% | 0.589 | 21% | 0.211 | S | C | * | . | P | Polyproline II helix | trans | -87.8 | 136.4 | 172.9 | -70.5 | -175.8 | -4.2 | 0 | 0 | 110.3 | S692 I693 N695 | S692-Q697 WeakPolarHBondContact CA-O 3.45Å; I693-Q697 HydrophobicContact CD1-CB 4.24Å; I693-Q697 HydrophobicContact CG1-CB 3.92Å; I693-Q697 WeakPolarHBondContact CG1-O 3.17Å; I693-Q697 PolarHBondContact N-O 3.1Å; N695-Q697 VanDerWaalsContact C-N 3.26Å; N695-Q697 PolarHBondContact O-N 3.31Å |
| 698 | N | 67.3 | Low | 74.4 | Confident | 100 Ų | 100 | 41.4 Ų | 41.4 | 54% | 0.535 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -95.3 | 127.6 | 169.9 | -77 | -55 | 0 | 0 | 0 | 109.1 | ||
| 699 | P | 72.4 | Confident | 73.9 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 7% | 0.065 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 137.3 | 175.2 | 28.3 | -31.4 | 0 | 0 | 0 | 110.6 | G691 I693 E701 Q703 | G691-P699 WeakPolarHBondContact O-CD 3.28Å; G691-P699 VanDerWaalsContact O-CG 3.28Å; G691-P699 WeakPolarHBondContact O-CG 3.5Å; I693-P699 HydrophobicContact CG2-CB 3.68Å; I693-P699 VanDerWaalsContact CG2-CD 3.48Å; I693-P699 HydrophobicContact CG2-CG 3.44Å; I693-P699 VanDerWaalsContact CG2-CG 3.44Å; P699-E701 VanDerWaalsContact C-N 3.34Å; P699-Q703 HydrophobicContact CB-CG 3.76Å; P699-Q703 HydrophobicContact CG-CG 3.62Å |
| 700 | D | 81.7 | Confident | 73.2 | Confident | 69 Ų | 69 | 46.6 Ų | 46.6 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.4 | -29.9 | 170.2 | -73.6 | -29.5 | 0 | 0 | 0 | 111 | N621 I622 K623 | N621-D700 CarbonylContact C-O 3.42Å; N621-D700 VanDerWaalsContact CA-O 3.28Å; N621-D700 WeakPolarHBondContact CA-O 3.49Å; I622-D700 WeakPolarHBondContact CG1-O 3.32Å; I622-D700 PolarHBondContact N-O 3.22Å; K623-D700 HydrophobicContact CB-CB 4.29Å; K623-D700 WeakPolarHBondContact CD-OD2 3.42Å; K623-D700 IonicContact NZ-OD2 3.6Å |
| 701 | E | 86.1 | Confident | 72.5 | Confident | 66 Ų | 66 | 50 Ų | 50 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -103.3 | 147.6 | -177.3 | -68.9 | 177.2 | -177.9 | 0 | 0 | 112.1 | N527 H620 N621 P699 Q703 | N527-E701 PolarHBondContact ND2-OE2 3.07Å; H620-E701 CarbonylContact O-C 3.26Å; H620-E701 WeakPolarHBondContact O-CA 3.46Å; N621-E701 HydrophobicContact CB-CG 4.24Å; P699-E701 VanDerWaalsContact C-N 3.34Å; E701-Q703 WeakPolarHBondContact O-CG 3.32Å; E701-Q703 PolarHBondContact O-N 3.02Å; E701-Q703 PolarHBondContact O-NE2 3.15Å |
| 702 | L | 87.6 | Confident | 72.2 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | trans | -59.1 | 131.5 | 177.8 | -178.5 | 68 | 0 | 0 | 0 | 110.2 | A528 H533 Q536 H620 G689 W690 | A528-L702 HydrophobicContact CB-CB 4.35Å; A528-L702 HydrophobicContact CB-CD2 4.14Å; A528-L702 HydrophobicContact CB-CG 4.09Å; A528-L702 WeakPolarHBondContact CB-O 3.22Å; A528-L702 PolarHBondContact N-O 2.89Å; H533-L702 HydrophobicContact CB-CD2 4.39Å; Q536-L702 HydrophobicContact CB-CD2 4.38Å; Q536-L702 HydrophobicContact CG-CD1 3.91Å; Q536-L702 HydrophobicContact CG-CD2 4.15Å; H620-L702 PolarHBondContact O-N 2.94Å; G689-L702 WeakPolarHBondContact O-CD1 3.47Å; W690-L702 HydrophobicContact CD2-CD1 3.75Å; W690-L702 HydrophobicContact CE3-CD1 3.89Å; W690-L702 HydrophobicContact CG-CD1 4.46Å; W690-L702 HydrophobicContact CH2-CD1 3.79Å; W690-L702 HydrophobicContact CZ2-CB 3.92Å; W690-L702 HydrophobicContact CZ2-CD1 3.63Å; W690-L702 HydrophobicContact CZ2-CG 4.22Å; W690-L702 HydrophobicContact CZ3-CD1 3.91Å; W690-L702 VanDerWaalsContact NE1-CA 3.35Å | ||
| 703 | Q | 86.2 | Confident | 72.2 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 152.2 | -179.4 | -57.9 | -66.4 | -50.4 | 0 | 0 | 110.1 | I522 N527 T688 G689 I693 P699 E701 | I522-Q703 HydrophobicContact CD1-CB 3.26Å; I522-Q703 HydrophobicContact CD1-CG 3.66Å; I522-Q703 HydrophobicContact CG1-CB 3.72Å; I522-Q703 HydrophobicContact CG1-CG 3.7Å; N527-Q703 PolarHBondContact OD1-NE2 2.85Å; N527-Q703 PolarHBondContact OD1-OE1 3.19Å; T688-Q703 VanDerWaalsContact CA-O 3.31Å; T688-Q703 WeakPolarHBondContact CA-O 3.46Å; G689-Q703 PolarHBondContact N-O 2.8Å; G689-Q703 PolarHBondContact O-N 2.98Å; I693-Q703 HydrophobicContact CG2-CG 4.3Å; P699-Q703 HydrophobicContact CB-CG 3.76Å; P699-Q703 HydrophobicContact CG-CG 3.62Å; E701-Q703 WeakPolarHBondContact O-CG 3.32Å; E701-Q703 PolarHBondContact O-N 3.02Å; E701-Q703 PolarHBondContact O-NE2 3.15Å |
| 704 | Q | 84 | Confident | 72.3 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 152.4 | 172.9 | 68.7 | 175.9 | 50.6 | 0 | 0 | 112.4 | P512 G525 F526 A528 H533 V687 T688 | P512-Q704 PolarHBondContact O-NE2 3.28Å; G525-Q704 WeakPolarHBondContact CA-O 3.48Å; F526-Q704 HydrophobicContact CD2-CG 3.86Å; F526-Q704 HydrophobicContact CE2-CG 3.45Å; F526-Q704 VanDerWaalsContact CE2-CG 3.45Å; F526-Q704 HydrophobicContact CZ-CG 3.94Å; F526-Q704 VanDerWaalsContact CZ-NE2 3.29Å; F526-Q704 PolarHBondContact N-O 2.61Å; F526-Q704 PolarHBondContact O-N 2.76Å; A528-Q704 HydrophobicContact CB-CB 4.07Å; A528-Q704 HydrophobicContact CB-CG 4.01Å; H533-Q704 PolarHBondContact CD2-OE1 3.05Å; H533-Q704 PolarHBondContact NE2-OE1 2.7Å; V687-Q704 WeakPolarHBondContact O-CA 3.41Å; T688-Q704 HydrophobicContact CG2-CB 3.63Å |
| 705 | F | 77.2 | Confident | 73 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 25% | 0.25 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 135.1 | 175 | 179.7 | -108 | 0 | 0 | 0 | 111 | R524 F686 V687 V707 | R524-F705 HydrophobicContact CB-CE2 4.43Å; F686-F705 VanDerWaalsContact CA-O 3.29Å; F686-F705 WeakPolarHBondContact CA-O 3.47Å; V687-F705 HydrophobicContact CG2-CB 3.93Å; V687-F705 HydrophobicContact CG2-CD1 4.24Å; V687-F705 PolarHBondContact N-O 2.84Å; V687-F705 PolarHBondContact O-N 3.47Å; F705-V707 HydrophobicContact CD1-CG1 3.55Å; F705-V707 HydrophobicContact CE1-CG1 3.82Å |
| 706 | E | 78.8 | Confident | 73.5 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 35% | 0.35 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 111.9 | 176.9 | -169.2 | 163.9 | -175.5 | 0 | 0 | 109.5 | R684 C685 F686 | R684-E706 VanDerWaalsContact CB-OE1 3.3Å; R684-E706 WeakPolarHBondContact CB-OE1 3.27Å; R684-E706 VanDerWaalsContact CG-OE1 3.24Å; R684-E706 WeakPolarHBondContact CG-OE1 3.34Å; R684-E706 IonicContact CZ-OE1 3.88Å; R684-E706 IonicContact NE-OE1 3.54Å; R684-E706 PolarHBondContact NE-OE1 3.43Å; R684-E706 IonicContact NE-OE2 3.66Å; R684-E706 IonicContact NH2-OE2 3.15Å; R684-E706 PolarHBondContact NH2-OE2 3.22Å; C685-E706 CarbonylContact O-C 3.57Å; C685-E706 VanDerWaalsContact O-CA 3.28Å; C685-E706 WeakPolarHBondContact O-CA 3.46Å; F686-E706 HydrophobicContact CD1-CB 3.99Å; F686-E706 HydrophobicContact CD1-CG 4.45Å; F686-E706 HydrophobicContact CE1-CB 3.7Å; F686-E706 HydrophobicContact CE1-CG 4.02Å; F686-E706 HydrophobicContact CZ-CB 4.34Å; F686-E706 HydrophobicContact CZ-CG 4.16Å |
| 707 | V | 76.3 | Confident | 74 | Confident | 9 Ų | 9 | 62.2 Ų | 62.2 | 6% | 0.055 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.1 | -176.1 | -65 | 0 | 0 | 0 | 0 | 112 | C685 V687 F705 M709 L743 | C685-V707 HydrophobicContact CB-CG2 3.75Å; C685-V707 PolarHBondContact O-N 3.36Å; V687-V707 HydrophobicContact CB-CG1 4.48Å; V687-V707 HydrophobicContact CG1-CG1 3.86Å; V687-V707 HydrophobicContact CG1-CG2 4.23Å; V687-V707 HydrophobicContact CG2-CG1 3.81Å; F705-V707 HydrophobicContact CD1-CG1 3.55Å; F705-V707 HydrophobicContact CE1-CG1 3.82Å; V707-M709 HydrophobicContact CG2-SD 4.12Å; V707-L743 HydrophobicContact CG2-CD1 3.46Å; V707-L743 VanDerWaalsContact CG2-CD1 3.46Å |
| 708 | S | 72.9 | Confident | 74.1 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | trans | -92.5 | 111.7 | 168.6 | -65 | 0 | 0 | 0 | 0 | 110.2 | S727 | S708-S727 VanDerWaalsContact O-CB 3.26Å; S708-S727 WeakPolarHBondContact O-CB 3.33Å | ||
| 709 | M | 78.2 | Confident | 74.4 | Confident | 47 Ų | 47 | 53 Ų | 53 | 23% | 0.232 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 139 | 179.6 | -63 | -53.5 | -60.8 | 0 | 0 | 111.7 | P679 V707 L725 L743 | P679-M709 HydrophobicContact CB-CG 4.23Å; P679-M709 HydrophobicContact CG-CE 4.46Å; P679-M709 HydrophobicContact CG-CG 4.24Å; V707-M709 HydrophobicContact CG2-SD 4.12Å; M709-L725 HydrophobicContact CE-CB 3.99Å; M709-L725 HydrophobicContact CE-CD1 4.42Å; M709-L743 HydrophobicContact CE-CD2 3.79Å; M709-L743 HydrophobicContact SD-CD1 4.12Å; M709-L743 HydrophobicContact SD-CD2 3.82Å |
| 710 | Y | 73.2 | Confident | 74.8 | Confident | 66 Ų | 66 | 54.8 Ų | 54.8 | 26% | 0.259 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119.2 | 176.7 | -178.7 | -111.4 | 0 | 0 | 0 | 110.1 | G712 V714 C726 R728 F772 | Y710-G712 VanDerWaalsContact CE1-C 3.48Å; Y710-G712 WeakPolarHBondContact CE1-O 3.43Å; Y710-V714 HydrophobicContact CD1-CG2 4.26Å; Y710-V714 HydrophobicContact CE1-CG2 4.25Å; Y710-C726 PolarHBondContact N-O 3Å; Y710-R728 HydrophobicContact CD2-CG 4.02Å; Y710-R728 VanDerWaalsContact CD2-NE 3.3Å; Y710-R728 VanDerWaalsContact CE2-NE 3.26Å; Y710-R728 HydrophobicContact CG-CG 4.11Å; Y710-F772 HydrophobicContact CD1-CD1 4.32Å; Y710-F772 AromaticContact CD1-CE1 3.75Å; Y710-F772 HydrophobicContact CD1-CE1 3.75Å; Y710-F772 AromaticContact CE1-CE1 3.95Å; Y710-F772 HydrophobicContact CE1-CE1 3.95Å; Y710-F772 HydrophobicContact CE1-CZ 4.47Å; Y710-F772 HydrophobicContact CG-CE1 4.21Å |
| 711 | D | 69.8 | Low | 74.6 | Confident | 74 Ų | 74 | 55 Ų | 55 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | trans | -98 | 23.9 | 179.3 | -171 | 17.5 | 0 | 0 | 0 | 112.9 | L678 K721 | L678-D711 HydrophobicContact CD1-CB 4.45Å; L678-D711 WeakPolarHBondContact CD1-OD1 3.48Å; D711-K721 PolarHBondContact O-NZ 3.24Å; D711-K721 VanDerWaalsContact OD1-CE 3.3Å; D711-K721 WeakPolarHBondContact OD1-CE 3.32Å; D711-K721 IonicContact OD1-NZ 3.99Å; D711-K721 PolarHBondContact OD1-NZ 3.26Å | ||
| 712 | G | 67.4 | Low | 74.5 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -98.8 | 166.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y710 | Y710-G712 VanDerWaalsContact CE1-C 3.48Å; Y710-G712 WeakPolarHBondContact CE1-O 3.43Å |
| 713 | N | 67.5 | Low | 74.3 | Confident | 115 Ų | 115 | 60.4 Ų | 60.4 | 62% | 0.615 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -72 | 134.2 | 167.4 | -69.7 | -27.7 | 0 | 0 | 0 | 109.4 | K721 | N713-K721 WeakPolarHBondContact OD1-CD 3.44Š|
| 714 | V | 66.9 | Low | 74.4 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -95.8 | 125.5 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | Y710 H716 Y719 C726 F772 | Y710-V714 HydrophobicContact CD1-CG2 4.26Å; Y710-V714 HydrophobicContact CE1-CG2 4.25Å; V714-H716 HydrophobicContact CG1-CB 4.18Å; V714-H716 PolarHBondContact O-N 2.75Å; V714-Y719 HydrophobicContact CB-CD1 3.71Å; V714-Y719 HydrophobicContact CB-CD2 4.47Å; V714-Y719 HydrophobicContact CB-CE1 4.11Å; V714-Y719 HydrophobicContact CB-CG 3.9Å; V714-Y719 HydrophobicContact CG2-CD1 4.26Å; V714-Y719 HydrophobicContact CG2-CE1 4.21Å; V714-Y719 HydrophobicContact CG2-CG 4.43Å; V714-C726 HydrophobicContact CG2-CB 4.22Å; V714-C726 WeakPolarHBondContact CG2-SG 3.4Å; V714-F772 HydrophobicContact CG1-CD2 3.84Å; V714-F772 HydrophobicContact CG1-CE2 4.15Å; V714-F772 HydrophobicContact CG1-CG 4.18Å; V714-F772 HydrophobicContact CG2-CD1 3.93Å; V714-F772 HydrophobicContact CG2-CD2 4.41Å; V714-F772 HydrophobicContact CG2-CE1 4.11Å; V714-F772 HydrophobicContact CG2-CG 4.08Å; V714-F772 HydrophobicContact CG2-CZ 4.46Å |
| 715 | H | 67 | Low | 74.5 | Confident | 176 Ų | 176 | 60.8 Ų | 60.8 | 82% | 0.815 | 32% | 0.316 | S | S | * | . | trans | -76.9 | 71.8 | 178.5 | -77.8 | -85.8 | 0 | 0 | 0 | 110.9 | ||||
| 716 | H | 65.6 | Low | 74.7 | Confident | 67 Ų | 67 | 58.1 Ų | 58.1 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | trans | -141.1 | 137 | 176.5 | -175.3 | 75.5 | 0 | 0 | 0 | 110.7 | V714 G718 Y719 V761 | V714-H716 HydrophobicContact CG1-CB 4.18Å; V714-H716 PolarHBondContact O-N 2.75Å; H716-G718 VanDerWaalsContact C-N 3.26Å; H716-G718 PolarHBondContact CD2-N 2.92Å; H716-G718 VanDerWaalsContact CD2-N 3.26Å; H716-G718 PolarHBondContact O-N 3.42Å; H716-Y719 PolarHBondContact O-N 2.91Å; H716-Y719 VanDerWaalsContact O-N 3.11Å; H716-V761 HydrophobicContact CB-CG1 3.63Å; H716-V761 VanDerWaalsContact ND1-CG1 3.31Å; H716-V761 WeakPolarHBondContact ND1-CG1 3.4Å | ||
| 717 | S | 65.7 | Low | 74.6 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 80% | 0.804 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.9 | -173.2 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 718 | G | 65.4 | Low | 74.2 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -13.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | H716 | H716-G718 VanDerWaalsContact C-N 3.26Å; H716-G718 PolarHBondContact CD2-N 2.92Å; H716-G718 VanDerWaalsContact CD2-N 3.26Å; H716-G718 PolarHBondContact O-N 3.42Å |
| 719 | Y | 72.8 | Confident | 73.4 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | trans | -84.6 | 122.5 | -176.8 | 175.9 | -99.8 | 0 | 0 | 0 | 111.6 | V714 H716 K721 M724 C726 V774 | V714-Y719 HydrophobicContact CB-CD1 3.71Å; V714-Y719 HydrophobicContact CB-CD2 4.47Å; V714-Y719 HydrophobicContact CB-CE1 4.11Å; V714-Y719 HydrophobicContact CB-CG 3.9Å; V714-Y719 HydrophobicContact CG2-CD1 4.26Å; V714-Y719 HydrophobicContact CG2-CE1 4.21Å; V714-Y719 HydrophobicContact CG2-CG 4.43Å; H716-Y719 PolarHBondContact O-N 2.91Å; H716-Y719 VanDerWaalsContact O-N 3.11Å; Y719-K721 HydrophobicContact CE1-CB 3.85Å; Y719-M724 HydrophobicContact CD2-CB 4.14Å; Y719-M724 HydrophobicContact CD2-SD 4.34Å; Y719-M724 HydrophobicContact CE2-CB 3.95Å; Y719-C726 HydrophobicContact CE2-CB 3.91Å; Y719-V774 HydrophobicContact CD2-CG1 4.32Å; Y719-V774 HydrophobicContact CD2-CG2 4.46Å | ||
| 720 | N | 79.8 | Confident | 72.1 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | trans | -121.9 | 103 | 174.7 | -174 | -11.9 | 0 | 0 | 0 | 111.6 | E648 K722 N723 M724 | E648-N720 PolarHBondContact OE1-ND2 3.11Å; N720-K722 PolarHBondContact O-N 2.04Å; N720-K722 WeakPolarHBondContact OD1-CB 3.46Å; N720-K722 PolarHBondContact OD1-N 3.04Å; N720-N723 PolarHBondContact O-N 2.82Å; N720-M724 WeakPolarHBondContact O-CB 3.49Å; N720-M724 PolarHBondContact O-N 3.3Å | ||
| 721 | K | 79.3 | Confident | 70.7 | Confident | 74 Ų | 74 | 65 Ų | 65 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -22.2 | 179.5 | -172.1 | 170.3 | -179.2 | 173.6 | 0 | 114 | D711 N713 Y719 | D711-K721 PolarHBondContact O-NZ 3.24Å; D711-K721 VanDerWaalsContact OD1-CE 3.3Å; D711-K721 WeakPolarHBondContact OD1-CE 3.32Å; D711-K721 IonicContact OD1-NZ 3.99Å; D711-K721 PolarHBondContact OD1-NZ 3.26Å; N713-K721 WeakPolarHBondContact OD1-CD 3.44Å; Y719-K721 HydrophobicContact CE1-CB 3.85Å |
| 722 | K | 82.4 | Confident | 69.6 | Low | 163 Ų | 163 | 62.4 Ų | 62.4 | 71% | 0.709 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -36.8 | 177.5 | -65.9 | -176.9 | 176.8 | 177.9 | 0 | 112.5 | N720 | N720-K722 PolarHBondContact O-N 2.04Å; N720-K722 WeakPolarHBondContact OD1-CB 3.46Å; N720-K722 PolarHBondContact OD1-N 3.04Å |
| 723 | N | 84.4 | Confident | 68.8 | Low | 21 Ų | 21 | 62.2 Ų | 62.2 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -7.7 | -171.2 | -58.6 | -6.8 | 0 | 0 | 0 | 113.1 | N720 K777 K780 | N720-N723 PolarHBondContact O-N 2.82Å; N723-K777 WeakPolarHBondContact O-CB 3.44Å; N723-K777 PolarHBondContact O-N 2.82Å; N723-K780 HydrophobicContact CB-CG 4.34Å; N723-K780 WeakPolarHBondContact OD1-CD 3.41Å; N723-K780 VanDerWaalsContact OD1-CE 3.23Å; N723-K780 WeakPolarHBondContact OD1-CE 3.28Å; N723-K780 WeakPolarHBondContact OD1-CG 3.37Å |
| 724 | M | 87.3 | Confident | 68.1 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152.7 | -176.9 | -61.2 | 172.3 | 175.3 | 0 | 0 | 112.1 | E647 E648 Y719 N720 F759 V774 F775 | E647-M724 VanDerWaalsContact O-CE 3.27Å; E647-M724 WeakPolarHBondContact O-CE 3.3Å; E648-M724 HydrophobicContact CG-CE 4.02Å; Y719-M724 HydrophobicContact CD2-CB 4.14Å; Y719-M724 HydrophobicContact CD2-SD 4.34Å; Y719-M724 HydrophobicContact CE2-CB 3.95Å; N720-M724 WeakPolarHBondContact O-CB 3.49Å; N720-M724 PolarHBondContact O-N 3.3Å; M724-F759 HydrophobicContact CE-CE1 4.06Å; M724-F759 HydrophobicContact CE-CZ 4.39Å; M724-F759 HydrophobicContact SD-CE1 4.3Å; M724-F759 HydrophobicContact SD-CZ 4.35Å; M724-V774 HydrophobicContact CB-CG1 3.95Å; M724-V774 HydrophobicContact CG-CG1 4.15Å; M724-V774 HydrophobicContact SD-CG1 3.87Å; M724-F775 CarbonylContact C-O 3.45Å; M724-F775 VanDerWaalsContact CA-O 3.31Å; M724-F775 WeakPolarHBondContact CA-O 3.04Å |
| 725 | L | 86 | Confident | 67.5 | Low | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 157.2 | 169.9 | -57.3 | 176.3 | 0 | 0 | 0 | 109.2 | L678 M709 L743 Y754 V774 F775 K777 | L678-L725 HydrophobicContact CD2-CD2 3.25Å; M709-L725 HydrophobicContact CE-CB 3.99Å; M709-L725 HydrophobicContact CE-CD1 4.42Å; L725-L743 HydrophobicContact CD1-CD2 4.15Å; L725-Y754 WeakPolarHBondContact CD1-O 3.24Å; L725-V774 WeakPolarHBondContact O-CA 3.01Å; L725-F775 HydrophobicContact CB-CB 4.27Å; L725-F775 HydrophobicContact CB-CD2 4.37Å; L725-F775 PolarHBondContact N-O 3.23Å; L725-F775 PolarHBondContact O-N 3.02Å; L725-K777 HydrophobicContact CD1-CG 4.37Å; L725-K777 HydrophobicContact CD2-CB 4.35Å; L725-K777 HydrophobicContact CD2-CD 3.97Å; L725-K777 HydrophobicContact CD2-CG 3.91Å; L725-K777 HydrophobicContact CG-CB 3.97Å; L725-K777 HydrophobicContact CG-CG 3.97Å |
| 726 | C | 81.7 | Confident | 67 | Low | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 156.6 | 174.2 | 60.3 | 0 | 0 | 0 | 0 | 113 | Y710 V714 Y719 A773 | Y710-C726 PolarHBondContact N-O 3Å; V714-C726 HydrophobicContact CG2-CB 4.22Å; V714-C726 WeakPolarHBondContact CG2-SG 3.4Å; Y719-C726 HydrophobicContact CE2-CB 3.91Å; C726-A773 CarbonylContact C-O 3.16Å; C726-A773 WeakPolarHBondContact CA-O 2.97Å; C726-A773 WeakPolarHBondContact CB-O 2.97Å |
| 727 | S | 76.3 | Confident | 66.6 | Low | 5 Ų | 5 | 56.9 Ų | 56.9 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 143.4 | 169.5 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | S708 K729 F772 A773 | S708-S727 VanDerWaalsContact O-CB 3.26Å; S708-S727 WeakPolarHBondContact O-CB 3.33Å; S727-K729 PolarHBondContact O-N 2.77Å; S727-F772 WeakPolarHBondContact O-CA 3.37Å; S727-A773 PolarHBondContact N-O 3.41Å; S727-A773 PolarHBondContact O-N 2.74Å; S727-A773 VanDerWaalsContact O-N 3.13Å |
| 728 | R | 68.2 | Low | 66.8 | Low | 117 Ų | 117 | 51.8 Ų | 51.8 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 124.1 | 173.4 | -78.7 | -179.9 | 179.2 | -157.1 | -1.9 | 109.1 | Y710 N730 F772 | Y710-R728 HydrophobicContact CD2-CG 4.02Å; Y710-R728 VanDerWaalsContact CD2-NE 3.3Å; Y710-R728 VanDerWaalsContact CE2-NE 3.26Å; Y710-R728 HydrophobicContact CG-CG 4.11Å; R728-N730 PolarHBondContact O-N 3.37Å; R728-F772 HydrophobicContact CB-CE1 4.42Å; R728-F772 HydrophobicContact CG-CD1 4.17Å; R728-F772 HydrophobicContact CG-CE1 3.52Å; R728-F772 HydrophobicContact CG-CZ 4.25Å |
| 729 | K | 56.3 | Low | 67.7 | Low | 39 Ų | 39 | 52.5 Ų | 52.5 | 17% | 0.17 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 99.9 | 169.7 | -148.7 | -174.2 | -179.4 | -175.5 | 0 | 106.1 | S727 E731 D732 G733 E771 | S727-K729 PolarHBondContact O-N 2.77Å; K729-E731 PolarHBondContact O-N 3.23Å; K729-D732 WeakPolarHBondContact CG-O 3.34Å; K729-G733 VanDerWaalsContact CE-CA 3.41Å; K729-G733 WeakPolarHBondContact CE-O 3.19Å; K729-E771 WeakPolarHBondContact CA-O 3.25Å; K729-E771 VanDerWaalsContact CB-C 3.46Å; K729-E771 HydrophobicContact CB-CB 3.79Å; K729-E771 WeakPolarHBondContact CB-O 3.46Å; K729-E771 HydrophobicContact CD-CB 3.5Å; K729-E771 VanDerWaalsContact CD-CB 3.5Å; K729-E771 HydrophobicContact CD-CG 4.47Å; K729-E771 WeakPolarHBondContact CD-OE2 3.5Å; K729-E771 WeakPolarHBondContact CE-OE2 3.45Å; K729-E771 HydrophobicContact CG-CB 4.27Å; K729-E771 PolarHBondContact N-O 3.27Å; K729-E771 IonicContact NZ-OE2 3.34Å; K729-E771 PolarHBondContact NZ-OE2 3.04Å |
| 730 | N | 51.7 | Low | 68.5 | Low | 120 Ų | 120 | 51.2 Ų | 51.2 | 64% | 0.642 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -76.3 | 48.5 | 175.8 | -82.8 | -12.9 | 0 | 0 | 0 | 111.5 | R524 R728 | R524-N730 PolarHBondContact NH1-O 3.01Å; R728-N730 PolarHBondContact O-N 3.37Å |
| 731 | E | 43.1 | Very low | 69 | Low | 156 Ų | 156 | 49 Ų | 49 | 73% | 0.729 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 89.4 | -6.9 | -172.6 | -55.8 | 176.3 | 157 | 0 | 0 | 116.8 | R524 K729 | R524-E731 IonicContact NH2-OE2 2.67Å; K729-E731 PolarHBondContact O-N 3.23Å |
| 732 | D | 47.9 | Very low | 69.6 | Low | 20 Ų | 20 | 45.5 Ų | 45.5 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | trans | -146.1 | 124.7 | -168.3 | -36.4 | -80.1 | 0 | 0 | 0 | 112.8 | V523 R524 K729 | V523-D732 VanDerWaalsContact C-CB 3.48Å; V523-D732 HydrophobicContact CB-CB 3.69Å; V523-D732 HydrophobicContact CG1-CB 3.59Å; V523-D732 WeakPolarHBondContact CG1-OD1 3.26Å; V523-D732 WeakPolarHBondContact O-CB 3.05Å; R524-D732 HydrophobicContact CB-CB 4.09Å; R524-D732 WeakPolarHBondContact CD-OD2 3.47Å; R524-D732 HydrophobicContact CG-CB 4.13Å; R524-D732 WeakPolarHBondContact CG-OD2 3.39Å; R524-D732 IonicContact CZ-OD1 2.86Å; R524-D732 IonicContact CZ-OD2 3.26Å; R524-D732 IonicContact NE-OD1 3.96Å; R524-D732 IonicContact NE-OD2 3.25Å; R524-D732 PolarHBondContact NE-OD2 3.39Å; R524-D732 IonicContact NH1-OD2 2.82Å; R524-D732 PolarHBondContact NH1-OD2 2.77Å; K729-D732 WeakPolarHBondContact CG-O 3.34Å | ||
| 733 | G | 50 | Low | 70.1 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 12% | 0.124 | 19% | 0.189 | C | C | . | . | trans | 176.1 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | K729 | K729-G733 VanDerWaalsContact CE-CA 3.41Å; K729-G733 WeakPolarHBondContact CE-O 3.19Å | ||
| 734 | I | 53.1 | Low | 70.4 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 11% | 0.108 | 18% | 0.184 | C | C | . | . | trans | -11.9 | 118 | 177.3 | -48.1 | -172.1 | 0 | 0 | 0 | 114.6 | D738 I757 A773 F775 | I734-D738 HydrophobicContact CG2-CB 4Å; I734-I757 HydrophobicContact CD1-CD1 4.41Å; I734-I757 HydrophobicContact CD1-CG1 4.13Å; I734-I757 HydrophobicContact CD1-CG2 3.81Å; I734-I757 HydrophobicContact CG2-CG2 3.5Å; I734-A773 HydrophobicContact CD1-CB 3.54Å; I734-A773 HydrophobicContact CG1-CB 3.99Å; I734-F775 HydrophobicContact CD1-CE1 3.7Å; I734-F775 HydrophobicContact CD1-CZ 3.89Å | ||
| 735 | D | 53.7 | Low | 70.5 | Confident | 61 Ų | 61 | 36.6 Ų | 36.6 | 33% | 0.326 | 18% | 0.183 | S | C | . | . | trans | -121.2 | 176 | 177.5 | -158.3 | -3.2 | 0 | 0 | 0 | 110.4 | S692 G737 D738 | S692-D735 WeakPolarHBondContact CB-OD2 3.3Å; S692-D735 WeakPolarHBondContact O-CB 3.3Å; S692-D735 PolarHBondContact OG-OD2 3.11Å; D735-G737 PolarHBondContact O-N 3.23Å; D735-D738 PolarHBondContact O-N 3.48Å | ||
| 736 | E | 56.2 | Low | 70.5 | Confident | 162 Ų | 162 | 38.8 Ų | 38.8 | 76% | 0.757 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 125.4 | 177.7 | -70.8 | -169.1 | 174.4 | 0 | 0 | 111.6 | G691 S692 | G691-E736 WeakPolarHBondContact CA-O 3.36Å; S692-E736 PolarHBondContact N-O 2.94Å |
| 737 | G | 57.5 | Low | 70.4 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.8 | -9.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | D735 | D735-G737 PolarHBondContact O-N 3.23Š|
| 738 | D | 70.7 | Confident | 70.1 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | trans | -89.8 | -16 | 171.1 | -66.5 | -34.5 | 0 | 0 | 0 | 113.2 | G689 W690 G691 I734 D735 G740 G741 I757 | G689-D738 VanDerWaalsContact C-OD1 3.28Å; G689-D738 WeakPolarHBondContact CA-OD1 3.06Å; W690-D738 PolarHBondContact N-OD1 3.31Å; G691-D738 VanDerWaalsContact CA-OD1 3.3Å; G691-D738 WeakPolarHBondContact CA-OD1 3.22Å; G691-D738 PolarHBondContact N-OD1 3.19Å; I734-D738 HydrophobicContact CG2-CB 4Å; D735-D738 PolarHBondContact O-N 3.48Å; D738-G740 PolarHBondContact O-N 3.32Å; D738-G741 PolarHBondContact O-N 2.99Å; D738-I757 HydrophobicContact CB-CD1 4.28Å; D738-I757 WeakPolarHBondContact O-CD1 3.43Å | ||
| 739 | S | 83.7 | Confident | 70.1 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 15% | 0.154 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | 133.9 | 178.4 | -69.7 | 0 | 0 | 0 | 0 | 113.9 | G551 H571 C572 G741 | G551-S739 PolarHBondContact N-O 3.45Å; H571-S739 PolarHBondContact CE1-OG 2.89Å; H571-S739 WeakPolarHBondContact NE2-CB 3.38Å; H571-S739 PolarHBondContact NE2-OG 2.81Å; C572-S739 PolarHBondContact SG-O 3.36Å; S739-G741 PolarHBondContact O-N 3.29Å |
| 740 | G | 88.3 | Confident | 71.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -5.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G551 G552 D738 I757 | G551-G740 VanDerWaalsContact C-C 3.45Å; G551-G740 CarbonylContact C-O 3.32Å; G551-G740 CarbonylContact O-C 3.6Å; G551-G740 VanDerWaalsContact O-C 3.29Å; G552-G740 VanDerWaalsContact CA-O 3.29Å; G552-G740 WeakPolarHBondContact CA-O 3.43Å; G552-G740 PolarHBondContact N-O 2.6Å; D738-G740 PolarHBondContact O-N 3.32Å; G740-I757 PolarHBondContact N-O 2.77Å |
| 741 | G | 90.4 | Very high | 73 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -66.6 | 165.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D738 S739 I757 | D738-G741 PolarHBondContact O-N 2.99Å; S739-G741 PolarHBondContact O-N 3.29Å; G741-I757 WeakPolarHBondContact O-CG1 3.2Å; G741-I757 PolarHBondContact O-N 2.86Å | ||
| 742 | P | 93.4 | Very high | 75.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 143.7 | -178.5 | 28.1 | -31.8 | 0 | 0 | 0 | 113.2 | S553 T688 A744 L753 | S553-P742 VanDerWaalsContact OG-CB 3.31Å; S553-P742 WeakPolarHBondContact OG-CB 3.15Å; T688-P742 WeakPolarHBondContact OG1-CG 3.24Å; P742-A744 HydrophobicContact CB-CB 4.48Å; P742-L753 HydrophobicContact CB-CD1 3.52Å |
| 743 | L | 91.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 95.6 | 149.8 | 176 | 67.9 | 0 | 0 | 0 | 108.2 | C685 V687 V707 M709 L725 Y754 G755 F775 | C685-L743 HydrophobicContact CB-CD1 4.1Å; V687-L743 HydrophobicContact CG1-CD1 3.8Å; V707-L743 HydrophobicContact CG2-CD1 3.46Å; V707-L743 VanDerWaalsContact CG2-CD1 3.46Å; M709-L743 HydrophobicContact CE-CD2 3.79Å; M709-L743 HydrophobicContact SD-CD1 4.12Å; M709-L743 HydrophobicContact SD-CD2 3.82Å; L725-L743 HydrophobicContact CD1-CD2 4.15Å; L743-Y754 PolarHBondContact O-N 3.16Å; L743-Y754 VanDerWaalsContact O-N 3.09Å; L743-G755 PolarHBondContact N-O 2.93Å; L743-F775 HydrophobicContact CB-CD1 3.94Å; L743-F775 HydrophobicContact CB-CE1 4.17Å; L743-F775 HydrophobicContact CB-CG 4.41Å; L743-F775 HydrophobicContact CD1-CE1 4.24Å; L743-F775 HydrophobicContact CD1-CZ 4.18Å; L743-F775 HydrophobicContact CD2-CB 4.44Å; L743-F775 HydrophobicContact CD2-CD1 4.27Å; L743-F775 HydrophobicContact CD2-CD2 3.99Å; L743-F775 HydrophobicContact CD2-CE2 4.3Å; L743-F775 HydrophobicContact CD2-CG 3.99Å |
| 744 | A | 91.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | W535 I669 C685 F686 P742 Y751 | W535-A744 HydrophobicContact CZ2-CB 4.34Å; I669-A744 HydrophobicContact CD1-CB 3.53Å; C685-A744 CarbonylContact C-O 3.47Å; C685-A744 WeakPolarHBondContact CA-O 3.48Å; F686-A744 PolarHBondContact N-O 3.36Å; F686-A744 PolarHBondContact O-N 2.96Å; P742-A744 HydrophobicContact CB-CB 4.48Å; A744-Y751 HydrophobicContact CB-CD1 4.26Å |
| 745 | C | 90.1 | Very high | 81.1 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.1 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | P679 R684 C685 K747 Y751 V752 Y754 | P679-C745 HydrophobicContact CB-CB 4.38Å; R684-C745 WeakPolarHBondContact O-CA 3.19Å; C685-C745 HydrophobicContact CB-CB 4.1Å; C685-C745 WeakPolarHBondContact CB-SG 3.27Å; C685-C745 WeakPolarHBondContact SG-CB 3.36Å; C685-C745 CovalentContact SG-SG 2.05Å; C685-C745 PolarHBondContact SG-SG 3.04Å; C745-K747 PolarHBondContact O-N 3.22Å; C745-Y751 WeakPolarHBondContact O-CA 3.25Å; C745-V752 PolarHBondContact N-O 3.45Å; C745-V752 PolarHBondContact O-N 3.19Å; C745-Y754 HydrophobicContact CB-CD2 3.61Å; C745-Y754 HydrophobicContact CB-CE2 3.79Å |
| 746 | L | 85.7 | Confident | 83 | Confident | 56 Ų | 56 | 29.1 Ų | 29.1 | 29% | 0.293 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 115.8 | 174.4 | -174.5 | 66.3 | 0 | 0 | 0 | 110.1 | R684 Y751 | R684-L746 HydrophobicContact CB-CB 4.38Å; R684-L746 PolarHBondContact O-N 2.75Å; L746-Y751 HydrophobicContact CB-CD1 4.36Å; L746-Y751 HydrophobicContact CB-CE1 4.02Å; L746-Y751 HydrophobicContact CD1-CD2 4.07Å; L746-Y751 HydrophobicContact CD1-CE2 3.84Å |
| 747 | K | 79.3 | Confident | 84.6 | Confident | 56 Ų | 56 | 21.5 Ų | 21.5 | 24% | 0.243 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 130.4 | 173.9 | 174.8 | 174.1 | 175.2 | 179.9 | 0 | 109.4 | E676 C745 S749 K750 V752 Y754 | E676-K747 VanDerWaalsContact CG-NZ 3.25Å; E676-K747 WeakPolarHBondContact OE1-CD 3.25Å; E676-K747 IonicContact OE1-NZ 2.58Å; E676-K747 PolarHBondContact OE1-NZ 3.43Å; E676-K747 IonicContact OE2-NZ 3.39Å; C745-K747 PolarHBondContact O-N 3.22Å; K747-S749 VanDerWaalsContact C-N 3.27Å; K747-S749 PolarHBondContact O-N 3.2Å; K747-K750 PolarHBondContact N-O 3.22Å; K747-K750 WeakPolarHBondContact O-CG 3.1Å; K747-K750 PolarHBondContact O-N 3.36Å; K747-V752 HydrophobicContact CB-CG2 4.32Å; K747-Y754 WeakPolarHBondContact CD-OH 3.02Å |
| 748 | D | 69.3 | Low | 85.9 | Confident | 130 Ų | 130 | 21.1 Ų | 21.1 | 70% | 0.695 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.3 | 178.4 | -52.1 | -36.1 | 0 | 0 | 0 | 113.6 | K750 | D748-K750 PolarHBondContact O-N 2.54Š|
| 749 | S | 69.1 | Low | 86.2 | Confident | 102 Ų | 102 | 22 Ų | 22 | 71% | 0.713 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 27.1 | -177.6 | -54.4 | 0 | 0 | 0 | 0 | 115 | K747 | K747-S749 VanDerWaalsContact C-N 3.27Å; K747-S749 PolarHBondContact O-N 3.2Å |
| 750 | K | 78.5 | Confident | 85.4 | Confident | 44 Ų | 44 | 23.4 Ų | 23.4 | 19% | 0.191 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.8 | 170.1 | 58.7 | 178.1 | -174.5 | 173.8 | 0 | 111.2 | G506 K507 K747 D748 V752 | G506-K750 CarbonylContact O-C 2.96Å; K507-K750 HydrophobicContact CG-CB 4.3Å; K747-K750 PolarHBondContact N-O 3.22Å; K747-K750 WeakPolarHBondContact O-CG 3.1Å; K747-K750 PolarHBondContact O-N 3.36Å; D748-K750 PolarHBondContact O-N 2.54Å; K750-V752 HydrophobicContact CG-CG2 4.34Å |
| 751 | Y | 88.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 23.6 Ų | 23.6 | 4% | 0.035 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.8 | 175.5 | -74.1 | -89.2 | 0 | 0 | 0 | 110.8 | G506 P508 P512 W535 I669 C670 F686 A744 C745 L746 | G506-Y751 WeakPolarHBondContact CA-O 3.24Å; G506-Y751 PolarHBondContact O-N 3.39Å; P508-Y751 HydrophobicContact CG-CD2 4.08Å; P508-Y751 HydrophobicContact CG-CE2 4.03Å; P512-Y751 HydrophobicContact CG-CE1 4.4Å; P512-Y751 HydrophobicContact CG-CE2 4.08Å; W535-Y751 VanDerWaalsContact CH2-CB 3.45Å; W535-Y751 HydrophobicContact CH2-CD1 4.41Å; W535-Y751 AromaticContact CH2-CD2 3.7Å; W535-Y751 HydrophobicContact CH2-CD2 3.7Å; W535-Y751 AromaticContact CH2-CG 3.59Å; W535-Y751 HydrophobicContact CH2-CG 3.59Å; W535-Y751 HydrophobicContact CZ2-CD1 4.31Å; W535-Y751 HydrophobicContact CZ2-CD2 4.38Å; W535-Y751 AromaticContact CZ2-CG 3.91Å; W535-Y751 HydrophobicContact CZ2-CG 3.91Å; I669-Y751 WeakPolarHBondContact CG1-O 3.13Å; C670-Y751 WeakPolarHBondContact CB-O 3.23Å; C670-Y751 PolarHBondContact N-O 2.83Å; F686-Y751 AromaticContact CD2-CE1 3.96Å; F686-Y751 HydrophobicContact CD2-CE1 3.96Å; F686-Y751 HydrophobicContact CE2-CE1 4.24Å; A744-Y751 HydrophobicContact CB-CD1 4.26Å; C745-Y751 WeakPolarHBondContact O-CA 3.25Å; L746-Y751 HydrophobicContact CB-CD1 4.36Å; L746-Y751 HydrophobicContact CB-CE1 4.02Å; L746-Y751 HydrophobicContact CD1-CD2 4.07Å; L746-Y751 HydrophobicContact CD1-CE2 3.84Å |
| 752 | V | 90.1 | Very high | 82.3 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.4 | -177.8 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | C670 P672 C745 K747 K750 Y754 | C670-V752 HydrophobicContact CB-CG2 4.16Å; C670-V752 WeakPolarHBondContact O-CA 3.28Å; P672-V752 HydrophobicContact CB-CG1 3.81Å; P672-V752 HydrophobicContact CG-CG1 4.36Å; C745-V752 PolarHBondContact N-O 3.45Å; C745-V752 PolarHBondContact O-N 3.19Å; K747-V752 HydrophobicContact CB-CG2 4.32Å; K750-V752 HydrophobicContact CG-CG2 4.34Å; V752-Y754 HydrophobicContact CB-CD2 4.17Å; V752-Y754 HydrophobicContact CB-CE2 3.71Å; V752-Y754 HydrophobicContact CG1-CD2 4.15Å; V752-Y754 HydrophobicContact CG1-CE2 3.8Å; V752-Y754 WeakPolarHBondContact O-CD2 3.43Å; V752-Y754 PolarHBondContact O-N 2.93Å |
| 753 | L | 93.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 96.7 | 179.4 | -175.2 | 67.9 | 0 | 0 | 0 | 111.1 | I555 L567 I669 C670 L671 P672 P742 G755 V778 | I555-L753 HydrophobicContact CG2-CD2 3.95Å; L567-L753 HydrophobicContact CD1-CD2 3.97Å; I669-L753 HydrophobicContact CD1-CB 3.96Å; I669-L753 HydrophobicContact CD1-CD1 4.41Å; I669-L753 HydrophobicContact CG1-CB 4.21Å; I669-L753 HydrophobicContact CG2-CB 3.77Å; I669-L753 HydrophobicContact CG2-CD2 4.14Å; I669-L753 HydrophobicContact CG2-CG 4.39Å; C670-L753 PolarHBondContact O-N 2.88Å; L671-L753 HydrophobicContact CD2-CD2 4.34Å; P672-L753 WeakPolarHBondContact CD-O 3.49Å; P742-L753 HydrophobicContact CB-CD1 3.52Å; L753-G755 WeakPolarHBondContact CD1-O 3.34Å; L753-V778 HydrophobicContact CD2-CG2 4.45Å; L753-V778 HydrophobicContact CG-CG2 4.23Å |
| 754 | Y | 91.5 | Very high | 77 | Confident | 5 Ų | 5 | 34.7 Ų | 34.7 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -27.2 | 179.3 | -77 | -86.7 | 0 | 0 | 0 | 113.8 | P672 E676 P679 L725 L743 C745 K747 V752 V778 | P672-Y754 HydrophobicContact CB-CD1 4.44Å; P672-Y754 HydrophobicContact CB-CE1 4.2Å; E676-Y754 PolarHBondContact OE1-OH 3.27Å; P679-Y754 HydrophobicContact CB-CD2 4.37Å; P679-Y754 HydrophobicContact CB-CE2 4.45Å; P679-Y754 HydrophobicContact CB-CG 4.43Å; P679-Y754 HydrophobicContact CG-CD1 3.88Å; P679-Y754 HydrophobicContact CG-CD2 4.08Å; P679-Y754 HydrophobicContact CG-CE1 4.4Å; P679-Y754 HydrophobicContact CG-CG 3.69Å; L725-Y754 WeakPolarHBondContact CD1-O 3.24Å; L743-Y754 PolarHBondContact O-N 3.16Å; L743-Y754 VanDerWaalsContact O-N 3.09Å; C745-Y754 HydrophobicContact CB-CD2 3.61Å; C745-Y754 HydrophobicContact CB-CE2 3.79Å; K747-Y754 WeakPolarHBondContact CD-OH 3.02Å; V752-Y754 HydrophobicContact CB-CD2 4.17Å; V752-Y754 HydrophobicContact CB-CE2 3.71Å; V752-Y754 HydrophobicContact CG1-CD2 4.15Å; V752-Y754 HydrophobicContact CG1-CE2 3.8Å; V752-Y754 WeakPolarHBondContact O-CD2 3.43Å; V752-Y754 PolarHBondContact O-N 2.93Å; Y754-V778 PolarHBondContact O-N 2.99Å |
| 755 | G | 91 | Very high | 74.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L743 L753 T776 | L743-G755 PolarHBondContact N-O 2.93Å; L753-G755 WeakPolarHBondContact CD1-O 3.34Å; G755-T776 WeakPolarHBondContact CA-O 3.4Å |
| 756 | I | 93 | Very high | 71.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131 | 171.2 | -59 | 169 | 0 | 0 | 0 | 107.1 | L567 A569 I651 S758 F775 T776 V778 | L567-I756 HydrophobicContact CB-CD1 3.96Å; L567-I756 HydrophobicContact CD1-CD1 4.31Å; A569-I756 HydrophobicContact CB-CG2 4.4Å; I651-I756 HydrophobicContact CB-CD1 4.28Å; I651-I756 HydrophobicContact CD1-CD1 3.6Å; I651-I756 HydrophobicContact CG1-CD1 3.6Å; I756-S758 PolarHBondContact O-N 2.89Å; I756-F775 CarbonylContact O-C 3.54Å; I756-F775 WeakPolarHBondContact O-CA 3.45Å; I756-F775 WeakPolarHBondContact O-CB 3.32Å; I756-T776 PolarHBondContact N-O 3.06Å; I756-T776 VanDerWaalsContact N-O 3.15Å; I756-T776 PolarHBondContact O-N 3.17Å; I756-V778 HydrophobicContact CD1-CG2 4.33Å; I756-V778 HydrophobicContact CG1-CG2 4.03Å |
| 757 | I | 89.2 | Confident | 69.6 | Low | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 123.2 | 179.9 | -64.5 | 171.1 | 0 | 0 | 0 | 109.9 | V687 I734 D738 G740 G741 F775 | V687-I757 HydrophobicContact CB-CD1 4.18Å; I734-I757 HydrophobicContact CD1-CD1 4.41Å; I734-I757 HydrophobicContact CD1-CG1 4.13Å; I734-I757 HydrophobicContact CD1-CG2 3.81Å; I734-I757 HydrophobicContact CG2-CG2 3.5Å; D738-I757 HydrophobicContact CB-CD1 4.28Å; D738-I757 WeakPolarHBondContact O-CD1 3.43Å; G740-I757 PolarHBondContact N-O 2.77Å; G741-I757 WeakPolarHBondContact O-CG1 3.2Å; G741-I757 PolarHBondContact O-N 2.86Å; I757-F775 HydrophobicContact CB-CD1 4.49Å; I757-F775 HydrophobicContact CG1-CD1 3.89Å; I757-F775 HydrophobicContact CG1-CE1 3.8Å |
| 758 | S | 84.9 | Confident | 67.8 | Low | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -80.6 | -176.9 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | H571 D650 I756 V774 | H571-S758 PolarHBondContact CE1-O 3.03Å; D650-S758 WeakPolarHBondContact CB-OG 3.37Å; D650-S758 WeakPolarHBondContact OD2-CA 3.29Å; D650-S758 VanDerWaalsContact OD2-CB 3.32Å; D650-S758 WeakPolarHBondContact OD2-CB 3.47Å; D650-S758 PolarHBondContact OD2-OG 2.9Å; I756-S758 PolarHBondContact O-N 2.89Å; S758-V774 PolarHBondContact N-O 3.31Å |
| 759 | F | 77.8 | Confident | 66.5 | Low | 26 Ų | 26 | 62.7 Ų | 62.7 | 11% | 0.114 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 178.7 | -178.8 | 64.6 | -76.7 | 0 | 0 | 0 | 113.9 | E647 M724 V761 V774 | E647-F759 HydrophobicContact CB-CD1 3.75Å; E647-F759 HydrophobicContact CB-CE1 3.59Å; E647-F759 HydrophobicContact CB-CZ 4.27Å; E647-F759 HydrophobicContact CG-CD1 4.2Å; E647-F759 HydrophobicContact CG-CE1 4.36Å; E647-F759 VanDerWaalsContact OE2-CB 3.24Å; E647-F759 WeakPolarHBondContact OE2-CB 3.42Å; E647-F759 WeakPolarHBondContact OE2-CD1 2.91Å; E647-F759 VanDerWaalsContact OE2-CG 3.3Å; E647-F759 WeakPolarHBondContact OE2-CG 3.32Å; M724-F759 HydrophobicContact CE-CE1 4.06Å; M724-F759 HydrophobicContact CE-CZ 4.39Å; M724-F759 HydrophobicContact SD-CE1 4.3Å; M724-F759 HydrophobicContact SD-CZ 4.35Å; F759-V761 HydrophobicContact CD2-CG2 3.73Å; F759-V761 HydrophobicContact CE2-CG2 3.24Å; F759-V761 HydrophobicContact CZ-CG2 4.22Å; F759-V774 HydrophobicContact CD1-CB 4.16Å; F759-V774 HydrophobicContact CD1-CG1 4.29Å; F759-V774 HydrophobicContact CD2-CG2 4.5Å; F759-V774 HydrophobicContact CE1-CB 3.98Å; F759-V774 HydrophobicContact CE1-CG1 3.69Å; F759-V774 HydrophobicContact CE2-CB 4.43Å; F759-V774 HydrophobicContact CE2-CG2 4.17Å; F759-V774 HydrophobicContact CG-CB 4.44Å; F759-V774 HydrophobicContact CZ-CB 4.12Å; F759-V774 HydrophobicContact CZ-CG1 3.94Å; F759-V774 HydrophobicContact CZ-CG2 4.15Å; F759-V774 PolarHBondContact N-O 2.62Å; F759-V774 WeakPolarHBondContact O-CB 3.32Å; F759-V774 PolarHBondContact O-N 3.05Å |
| 760 | S | 67.5 | Low | 65.7 | Low | 51 Ų | 51 | 62 Ų | 62 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.5 | 173.3 | -68.6 | 0 | 0 | 0 | 0 | 111.2 | F772 | S760-F772 CarbonylContact C-O 3.59Å; S760-F772 WeakPolarHBondContact CA-O 3.43Å |
| 761 | V | 59 | Low | 64.8 | Low | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.3 | 178.9 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | H716 F759 E771 F772 V774 | H716-V761 HydrophobicContact CB-CG1 3.63Å; H716-V761 VanDerWaalsContact ND1-CG1 3.31Å; H716-V761 WeakPolarHBondContact ND1-CG1 3.4Å; F759-V761 HydrophobicContact CD2-CG2 3.73Å; F759-V761 HydrophobicContact CE2-CG2 3.24Å; F759-V761 HydrophobicContact CZ-CG2 4.22Å; V761-E771 CarbonylContact O-C 3.57Å; V761-E771 VanDerWaalsContact O-CA 3.25Å; V761-E771 WeakPolarHBondContact O-CA 3.41Å; V761-F772 PolarHBondContact N-O 3.01Å; V761-F772 PolarHBondContact O-N 3.49Å; V761-V774 HydrophobicContact CG2-CG2 3.86Å |
| 762 | G | 52.6 | Low | 64 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 127.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C764 | G762-C764 PolarHBondContact O-N 3.21Å |
| 763 | V | 43.7 | Very low | 63.3 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | trans | -83.9 | 112.7 | 172.3 | -168.7 | 0 | 0 | 0 | 0 | 109 | G765 Q770 F772 | V763-G765 PolarHBondContact O-N 3.16Å; V763-Q770 PolarHBondContact N-O 2.8Å; V763-F772 HydrophobicContact CG2-CD2 4.35Å; V763-F772 HydrophobicContact CG2-CE2 4.21Å | ||
| 764 | C | 30.5 | Very low | 62.9 | Low | 140 Ų | 140 | 63.4 Ų | 63.4 | 95% | 0.946 | 34% | 0.337 | S | S | * | . | trans | -86.7 | 104.1 | 176.6 | -136.7 | 0 | 0 | 0 | 0 | 109.2 | G762 | G762-C764 PolarHBondContact O-N 3.21Š| ||
| 765 | G | 36.1 | Very low | 62.7 | Low | 57 Ų | 57 | 63.2 Ų | 63.2 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -177.6 | 86.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V763 Y767 | V763-G765 PolarHBondContact O-N 3.16Å; G765-Y767 VanDerWaalsContact C-N 3.3Å; G765-Y767 PolarHBondContact O-N 3.27Å |
| 766 | L | 36.6 | Very low | 62.7 | Low | 163 Ų | 163 | 63.3 Ų | 63.3 | 85% | 0.853 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 39.4 | -21.3 | 161.9 | -84.5 | 157.1 | 0 | 0 | 0 | 123.7 | ||
| 767 | Y | 39.9 | Very low | 62.6 | Low | 215 Ų | 215 | 65.4 Ų | 65.4 | 84% | 0.843 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -151.1 | 102.8 | 173.6 | -73.5 | -82.5 | 0 | 0 | 0 | 111.3 | G765 | G765-Y767 VanDerWaalsContact C-N 3.3Å; G765-Y767 PolarHBondContact O-N 3.27Å |
| 768 | R | 41.4 | Very low | 62.8 | Low | 223 Ų | 223 | 65.3 Ų | 65.3 | 84% | 0.842 | 35% | 0.346 | S | S | * | . | trans | 79.4 | 104.6 | -179 | -61.2 | 178.9 | 172.7 | 173.7 | -2.7 | 115.7 | Q770 | R768-Q770 PolarHBondContact O-N 2.93Š| ||
| 769 | M | 41.1 | Very low | 63 | Low | 173 Ų | 173 | 66 Ų | 66 | 85% | 0.852 | 35% | 0.349 | S | S | * | . | trans | -61.7 | 102.7 | 164.4 | -65.9 | 177 | -163 | 0 | 0 | 108.5 | ||||
| 770 | Q | 53.4 | Low | 63.5 | Low | 86 Ų | 86 | 70.1 Ų | 70.1 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | trans | -97.7 | 119.9 | 163.1 | -72.9 | -175.3 | -1 | 0 | 0 | 107.5 | V763 R768 F772 | V763-Q770 PolarHBondContact N-O 2.8Å; R768-Q770 PolarHBondContact O-N 2.93Å; Q770-F772 HydrophobicContact CB-CE2 3.92Å; Q770-F772 HydrophobicContact CB-CZ 4.41Å | ||
| 771 | E | 59.8 | Low | 64.6 | Low | 75 Ų | 75 | 68.4 Ų | 68.4 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 146.7 | 171.8 | -71.2 | -177.6 | -175.7 | 0 | 0 | 109.5 | K729 V761 | K729-E771 WeakPolarHBondContact CA-O 3.25Å; K729-E771 VanDerWaalsContact CB-C 3.46Å; K729-E771 HydrophobicContact CB-CB 3.79Å; K729-E771 WeakPolarHBondContact CB-O 3.46Å; K729-E771 HydrophobicContact CD-CB 3.5Å; K729-E771 VanDerWaalsContact CD-CB 3.5Å; K729-E771 HydrophobicContact CD-CG 4.47Å; K729-E771 WeakPolarHBondContact CD-OE2 3.5Å; K729-E771 WeakPolarHBondContact CE-OE2 3.45Å; K729-E771 HydrophobicContact CG-CB 4.27Å; K729-E771 PolarHBondContact N-O 3.27Å; K729-E771 IonicContact NZ-OE2 3.34Å; K729-E771 PolarHBondContact NZ-OE2 3.04Å; V761-E771 CarbonylContact O-C 3.57Å; V761-E771 VanDerWaalsContact O-CA 3.25Å; V761-E771 WeakPolarHBondContact O-CA 3.41Å |
| 772 | F | 71.7 | Confident | 65.9 | Low | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.035 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.6 | 176.2 | -67 | -94.6 | 0 | 0 | 0 | 109.4 | Y710 V714 S727 R728 S760 V761 V763 Q770 | Y710-F772 HydrophobicContact CD1-CD1 4.32Å; Y710-F772 AromaticContact CD1-CE1 3.75Å; Y710-F772 HydrophobicContact CD1-CE1 3.75Å; Y710-F772 AromaticContact CE1-CE1 3.95Å; Y710-F772 HydrophobicContact CE1-CE1 3.95Å; Y710-F772 HydrophobicContact CE1-CZ 4.47Å; Y710-F772 HydrophobicContact CG-CE1 4.21Å; V714-F772 HydrophobicContact CG1-CD2 3.84Å; V714-F772 HydrophobicContact CG1-CE2 4.15Å; V714-F772 HydrophobicContact CG1-CG 4.18Å; V714-F772 HydrophobicContact CG2-CD1 3.93Å; V714-F772 HydrophobicContact CG2-CD2 4.41Å; V714-F772 HydrophobicContact CG2-CE1 4.11Å; V714-F772 HydrophobicContact CG2-CG 4.08Å; V714-F772 HydrophobicContact CG2-CZ 4.46Å; S727-F772 WeakPolarHBondContact O-CA 3.37Å; R728-F772 HydrophobicContact CB-CE1 4.42Å; R728-F772 HydrophobicContact CG-CD1 4.17Å; R728-F772 HydrophobicContact CG-CE1 3.52Å; R728-F772 HydrophobicContact CG-CZ 4.25Å; S760-F772 CarbonylContact C-O 3.59Å; S760-F772 WeakPolarHBondContact CA-O 3.43Å; V761-F772 PolarHBondContact N-O 3.01Å; V761-F772 PolarHBondContact O-N 3.49Å; V763-F772 HydrophobicContact CG2-CD2 4.35Å; V763-F772 HydrophobicContact CG2-CE2 4.21Å; Q770-F772 HydrophobicContact CB-CE2 3.92Å; Q770-F772 HydrophobicContact CB-CZ 4.41Å |
| 773 | A | 76.4 | Confident | 67.4 | Low | 4 Ų | 4 | 71.1 Ų | 71.1 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | C726 S727 I734 F775 | C726-A773 CarbonylContact C-O 3.16Å; C726-A773 WeakPolarHBondContact CA-O 2.97Å; C726-A773 WeakPolarHBondContact CB-O 2.97Å; S727-A773 PolarHBondContact N-O 3.41Å; S727-A773 PolarHBondContact O-N 2.74Å; S727-A773 VanDerWaalsContact O-N 3.13Å; I734-A773 HydrophobicContact CD1-CB 3.54Å; I734-A773 HydrophobicContact CG1-CB 3.99Å; A773-F775 HydrophobicContact CB-CE2 4.25Å; A773-F775 HydrophobicContact CB-CZ 4.14Å |
| 774 | V | 84 | Confident | 69.3 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.8 | -176.3 | -175.7 | 0 | 0 | 0 | 0 | 110 | Y719 M724 L725 S758 F759 V761 | Y719-V774 HydrophobicContact CD2-CG1 4.32Å; Y719-V774 HydrophobicContact CD2-CG2 4.46Å; M724-V774 HydrophobicContact CB-CG1 3.95Å; M724-V774 HydrophobicContact CG-CG1 4.15Å; M724-V774 HydrophobicContact SD-CG1 3.87Å; L725-V774 WeakPolarHBondContact O-CA 3.01Å; S758-V774 PolarHBondContact N-O 3.31Å; F759-V774 HydrophobicContact CD1-CB 4.16Å; F759-V774 HydrophobicContact CD1-CG1 4.29Å; F759-V774 HydrophobicContact CD2-CG2 4.5Å; F759-V774 HydrophobicContact CE1-CB 3.98Å; F759-V774 HydrophobicContact CE1-CG1 3.69Å; F759-V774 HydrophobicContact CE2-CB 4.43Å; F759-V774 HydrophobicContact CE2-CG2 4.17Å; F759-V774 HydrophobicContact CG-CB 4.44Å; F759-V774 HydrophobicContact CZ-CB 4.12Å; F759-V774 HydrophobicContact CZ-CG1 3.94Å; F759-V774 HydrophobicContact CZ-CG2 4.15Å; F759-V774 PolarHBondContact N-O 2.62Å; F759-V774 WeakPolarHBondContact O-CB 3.32Å; F759-V774 PolarHBondContact O-N 3.05Å; V761-V774 HydrophobicContact CG2-CG2 3.86Å |
| 775 | F | 88 | Confident | 71.9 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.5 | 179.6 | -45.8 | -94.2 | 0 | 0 | 0 | 110.4 | V687 M724 L725 I734 L743 I756 I757 A773 K777 | V687-F775 HydrophobicContact CG1-CE1 3.54Å; V687-F775 HydrophobicContact CG1-CZ 3.79Å; M724-F775 CarbonylContact C-O 3.45Å; M724-F775 VanDerWaalsContact CA-O 3.31Å; M724-F775 WeakPolarHBondContact CA-O 3.04Å; L725-F775 HydrophobicContact CB-CB 4.27Å; L725-F775 HydrophobicContact CB-CD2 4.37Å; L725-F775 PolarHBondContact N-O 3.23Å; L725-F775 PolarHBondContact O-N 3.02Å; I734-F775 HydrophobicContact CD1-CE1 3.7Å; I734-F775 HydrophobicContact CD1-CZ 3.89Å; L743-F775 HydrophobicContact CB-CD1 3.94Å; L743-F775 HydrophobicContact CB-CE1 4.17Å; L743-F775 HydrophobicContact CB-CG 4.41Å; L743-F775 HydrophobicContact CD1-CE1 4.24Å; L743-F775 HydrophobicContact CD1-CZ 4.18Å; L743-F775 HydrophobicContact CD2-CB 4.44Å; L743-F775 HydrophobicContact CD2-CD1 4.27Å; L743-F775 HydrophobicContact CD2-CD2 3.99Å; L743-F775 HydrophobicContact CD2-CE2 4.3Å; L743-F775 HydrophobicContact CD2-CG 3.99Å; I756-F775 CarbonylContact O-C 3.54Å; I756-F775 WeakPolarHBondContact O-CA 3.45Å; I756-F775 WeakPolarHBondContact O-CB 3.32Å; I757-F775 HydrophobicContact CB-CD1 4.49Å; I757-F775 HydrophobicContact CG1-CD1 3.89Å; I757-F775 HydrophobicContact CG1-CE1 3.8Å; A773-F775 HydrophobicContact CB-CE2 4.25Å; A773-F775 HydrophobicContact CB-CZ 4.14Å; F775-K777 PolarHBondContact O-N 2.78Å |
| 776 | T | 90.6 | Very high | 73.8 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 126.6 | 169.6 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | D650 I651 G755 I756 V778 Y781 | D650-T776 WeakPolarHBondContact O-CB 3.5Å; D650-T776 PolarHBondContact O-OG1 3.39Å; I651-T776 HydrophobicContact CB-CG2 4.11Å; I651-T776 HydrophobicContact CG2-CG2 4.47Å; G755-T776 WeakPolarHBondContact CA-O 3.4Å; I756-T776 PolarHBondContact N-O 3.06Å; I756-T776 VanDerWaalsContact N-O 3.15Å; I756-T776 PolarHBondContact O-N 3.17Å; T776-V778 PolarHBondContact O-N 2.87Å; T776-Y781 HydrophobicContact CG2-CD2 3.9Å; T776-Y781 HydrophobicContact CG2-CE2 3.33Å |
| 777 | K | 91.5 | Very high | 75.4 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 19% | 0.191 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 104.2 | -174.2 | -174.3 | 178.7 | -178.2 | 178.2 | 0 | 111.6 | N723 L725 F775 T779 K780 Y781 | N723-K777 WeakPolarHBondContact O-CB 3.44Å; N723-K777 PolarHBondContact O-N 2.82Å; L725-K777 HydrophobicContact CD1-CG 4.37Å; L725-K777 HydrophobicContact CD2-CB 4.35Å; L725-K777 HydrophobicContact CD2-CD 3.97Å; L725-K777 HydrophobicContact CD2-CG 3.91Å; L725-K777 HydrophobicContact CG-CB 3.97Å; L725-K777 HydrophobicContact CG-CG 3.97Å; F775-K777 PolarHBondContact O-N 2.78Å; K777-T779 VanDerWaalsContact C-N 3.33Å; K777-T779 VanDerWaalsContact CE-OG1 3.29Å; K777-T779 WeakPolarHBondContact CE-OG1 3.43Å; K777-T779 PolarHBondContact O-N 3.48Å; K777-K780 WeakPolarHBondContact O-CB 3.3Å; K777-K780 PolarHBondContact O-N 2.95Å; K777-K780 VanDerWaalsContact O-N 3.09Å; K777-Y781 VanDerWaalsContact O-CD2 3.28Å; K777-Y781 WeakPolarHBondContact O-CD2 3.4Å |
| 778 | V | 92.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -38.3 | -172.3 | 173.6 | 0 | 0 | 0 | 0 | 113.3 | L671 P672 L753 Y754 I756 T776 K780 Y781 L782 | L671-V778 HydrophobicContact CD2-CG1 4.07Å; P672-V778 HydrophobicContact CG-CG1 4.2Å; L753-V778 HydrophobicContact CD2-CG2 4.45Å; L753-V778 HydrophobicContact CG-CG2 4.23Å; Y754-V778 PolarHBondContact O-N 2.99Å; I756-V778 HydrophobicContact CD1-CG2 4.33Å; I756-V778 HydrophobicContact CG1-CG2 4.03Å; T776-V778 PolarHBondContact O-N 2.87Å; V778-K780 PolarHBondContact O-N 2.93Å; V778-K780 VanDerWaalsContact O-N 3.1Å; V778-Y781 PolarHBondContact O-N 2.97Å; V778-L782 HydrophobicContact CG1-CD2 4.23Å; V778-L782 PolarHBondContact O-N 3.13Å |
| 779 | T | 89.5 | Confident | 78 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.9 | -29.7 | 179.5 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | P672 E676 K777 Y781 | P672-T779 HydrophobicContact CB-CG2 3.65Å; P672-T779 HydrophobicContact CG-CG2 3.46Å; P672-T779 VanDerWaalsContact CG-CG2 3.46Å; E676-T779 HydrophobicContact CB-CG2 4.45Å; K777-T779 VanDerWaalsContact C-N 3.33Å; K777-T779 VanDerWaalsContact CE-OG1 3.29Å; K777-T779 WeakPolarHBondContact CE-OG1 3.43Å; K777-T779 PolarHBondContact O-N 3.48Å; T779-Y781 VanDerWaalsContact C-N 3.31Å; T779-Y781 PolarHBondContact O-N 2.8Å |
| 780 | K | 88 | Confident | 78.4 | Confident | 114 Ų | 114 | 46.1 Ų | 46.1 | 50% | 0.496 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.6 | -29.9 | 176.9 | 177.9 | 59.8 | -175.8 | 170.5 | 0 | 113 | N723 K777 V778 | N723-K780 HydrophobicContact CB-CG 4.34Å; N723-K780 WeakPolarHBondContact OD1-CD 3.41Å; N723-K780 VanDerWaalsContact OD1-CE 3.23Å; N723-K780 WeakPolarHBondContact OD1-CE 3.28Å; N723-K780 WeakPolarHBondContact OD1-CG 3.37Å; K777-K780 WeakPolarHBondContact O-CB 3.3Å; K777-K780 PolarHBondContact O-N 2.95Å; K777-K780 VanDerWaalsContact O-N 3.09Å; V778-K780 PolarHBondContact O-N 2.93Å; V778-K780 VanDerWaalsContact O-N 3.1Å |
| 781 | Y | 89.7 | Confident | 78 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -101.1 | -4.9 | -171.8 | -62.5 | -84.6 | 0 | 0 | 0 | 114 | D649 I651 T776 K777 V778 T779 N783 W784 M785 | D649-Y781 WeakPolarHBondContact CA-OH 3.44Å; D649-Y781 HydrophobicContact CB-CE1 4.16Å; D649-Y781 VanDerWaalsContact OD1-CE1 3.27Å; D649-Y781 WeakPolarHBondContact OD1-CE1 3.29Å; D649-Y781 VanDerWaalsContact OD1-CZ 3.28Å; D649-Y781 PolarHBondContact OD1-OH 2.97Å; I651-Y781 HydrophobicContact CD1-CD2 4.31Å; I651-Y781 HydrophobicContact CD1-CG 4.08Å; I651-Y781 HydrophobicContact CG2-CD1 3.76Å; I651-Y781 HydrophobicContact CG2-CD2 4.44Å; I651-Y781 HydrophobicContact CG2-CE1 3.88Å; I651-Y781 HydrophobicContact CG2-CG 4.08Å; T776-Y781 HydrophobicContact CG2-CD2 3.9Å; T776-Y781 HydrophobicContact CG2-CE2 3.33Å; K777-Y781 VanDerWaalsContact O-CD2 3.28Å; K777-Y781 WeakPolarHBondContact O-CD2 3.4Å; V778-Y781 PolarHBondContact O-N 2.97Å; T779-Y781 VanDerWaalsContact C-N 3.31Å; T779-Y781 PolarHBondContact O-N 2.8Å; Y781-N783 VanDerWaalsContact C-N 3.26Å; Y781-N783 PolarHBondContact O-N 3.48Å; Y781-W784 HydrophobicContact CD1-CE3 4.47Å; Y781-W784 WeakPolarHBondContact O-CB 3.4Å; Y781-W784 PolarHBondContact O-N 3.48Å; Y781-M785 WeakPolarHBondContact O-CG 3.24Å; Y781-M785 PolarHBondContact O-N 3.2Å |
| 782 | L | 87.6 | Confident | 77.4 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.3 | -37.8 | 179.6 | -68 | 174.3 | 0 | 0 | 0 | 113.1 | L671 P672 I674 V778 M785 R786 | L671-L782 HydrophobicContact CB-CD2 4.3Å; L671-L782 HydrophobicContact CD1-CD2 4.18Å; P672-L782 HydrophobicContact CG-CD1 4.41Å; P672-L782 WeakPolarHBondContact O-CD1 3.34Å; I674-L782 HydrophobicContact CG1-CB 3.85Å; I674-L782 HydrophobicContact CG1-CD1 3.86Å; V778-L782 HydrophobicContact CG1-CD2 4.23Å; V778-L782 PolarHBondContact O-N 3.13Å; L782-M785 HydrophobicContact CD2-SD 4.29Å; L782-M785 PolarHBondContact O-N 3.38Å; L782-R786 WeakPolarHBondContact O-CB 3.3Å; L782-R786 WeakPolarHBondContact O-CG 3.37Å; L782-R786 PolarHBondContact O-N 3.02Å |
| 783 | N | 83.1 | Confident | 75.9 | Confident | 101 Ų | 101 | 47.6 Ų | 47.6 | 54% | 0.54 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.4 | -40 | 175.8 | -77.8 | -21 | 0 | 0 | 0 | 112.5 | I674 Y781 R786 K787 | I674-N783 VanDerWaalsContact CD1-OD1 3.29Å; I674-N783 WeakPolarHBondContact CD1-OD1 3.42Å; Y781-N783 VanDerWaalsContact C-N 3.26Å; Y781-N783 PolarHBondContact O-N 3.48Å; N783-R786 PolarHBondContact O-N 2.8Å; N783-K787 PolarHBondContact O-N 3.31Å |
| 784 | W | 84.8 | Confident | 74.2 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 173.7 | 165.2 | 81.7 | 0 | 0 | 0 | 110.6 | I638 I651 I653 Y781 R786 K787 V788 | I638-W784 HydrophobicContact CG2-CZ2 4.03Å; I651-W784 HydrophobicContact CD1-CZ3 4.23Å; I651-W784 HydrophobicContact CG1-CZ3 4.28Å; I651-W784 HydrophobicContact CG2-CZ3 4.32Å; I653-W784 HydrophobicContact CD1-CE3 4.38Å; I653-W784 HydrophobicContact CD1-CH2 3.61Å; I653-W784 HydrophobicContact CD1-CZ2 4.38Å; I653-W784 HydrophobicContact CD1-CZ3 3.61Å; I653-W784 HydrophobicContact CG1-CH2 3.72Å; I653-W784 HydrophobicContact CG1-CZ3 3.82Å; Y781-W784 HydrophobicContact CD1-CE3 4.47Å; Y781-W784 WeakPolarHBondContact O-CB 3.4Å; Y781-W784 PolarHBondContact O-N 3.48Å; W784-R786 PolarHBondContact O-N 2.98Å; W784-K787 WeakPolarHBondContact O-CA 3.36Å; W784-K787 WeakPolarHBondContact O-CB 3.45Å; W784-K787 PolarHBondContact O-N 2.89Å; W784-V788 HydrophobicContact CD2-CG2 4.22Å; W784-V788 HydrophobicContact CG-CG1 4.44Å; W784-V788 HydrophobicContact CZ2-CG2 4.16Å; W784-V788 WeakPolarHBondContact O-CG2 3.13Å; W784-V788 PolarHBondContact O-N 3.21Å |
| 785 | M | 83.7 | Confident | 72 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 176.3 | -68.1 | 175.9 | 70.1 | 0 | 0 | 112 | I555 W557 L567 I653 L671 Y781 L782 K787 V788 I789 | I555-M785 HydrophobicContact CD1-CE 3.5Å; W557-M785 HydrophobicContact CE3-CE 3.84Å; W557-M785 HydrophobicContact CH2-CB 3.66Å; W557-M785 HydrophobicContact CH2-CE 4.42Å; W557-M785 HydrophobicContact CZ3-CB 3.87Å; W557-M785 HydrophobicContact CZ3-CE 3.52Å; W557-M785 HydrophobicContact CZ3-SD 4.34Å; L567-M785 HydrophobicContact CD1-CE 3.86Å; L567-M785 HydrophobicContact CD1-SD 4.15Å; L567-M785 HydrophobicContact CD2-CE 3.95Å; L567-M785 HydrophobicContact CD2-SD 4.37Å; L567-M785 HydrophobicContact CG-CE 4.22Å; I653-M785 HydrophobicContact CD1-CG 4.12Å; L671-M785 HydrophobicContact CD1-CE 4.12Å; Y781-M785 WeakPolarHBondContact O-CG 3.24Å; Y781-M785 PolarHBondContact O-N 3.2Å; L782-M785 HydrophobicContact CD2-SD 4.29Å; L782-M785 PolarHBondContact O-N 3.38Å; M785-K787 PolarHBondContact O-N 2.96Å; M785-V788 PolarHBondContact O-N 3.35Å; M785-I789 HydrophobicContact CB-CD1 3.91Å; M785-I789 HydrophobicContact CE-CD1 4.16Å; M785-I789 WeakPolarHBondContact O-CB 3.3Å; M785-I789 WeakPolarHBondContact O-CD1 3.08Å; M785-I789 VanDerWaalsContact O-CG1 3.28Å; M785-I789 WeakPolarHBondContact O-CG1 3.47Å; M785-I789 PolarHBondContact O-N 3.24Å |
| 786 | R | 77.1 | Confident | 69.7 | Low | 146 Ų | 146 | 62.2 Ų | 62.2 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.6 | -28.8 | 176.9 | -75.9 | 179.9 | -176.9 | -90 | -2.3 | 112.8 | W557 L782 N783 W784 P790 | W557-R786 HydrophobicContact CH2-CB 4.48Å; W557-R786 HydrophobicContact CH2-CG 3.75Å; W557-R786 HydrophobicContact CZ2-CG 4.08Å; L782-R786 WeakPolarHBondContact O-CB 3.3Å; L782-R786 WeakPolarHBondContact O-CG 3.37Å; L782-R786 PolarHBondContact O-N 3.02Å; N783-R786 PolarHBondContact O-N 2.8Å; W784-R786 PolarHBondContact O-N 2.98Å; R786-P790 WeakPolarHBondContact O-CD 3.42Å; R786-P790 VanDerWaalsContact O-CG 3.29Å; R786-P790 WeakPolarHBondContact O-CG 3.07Å |
| 787 | K | 70.4 | Confident | 67.7 | Low | 166 Ų | 166 | 64.8 Ų | 64.8 | 72% | 0.722 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -81.4 | -45 | 176.8 | -170.4 | 178.7 | 179.8 | -177.6 | 0 | 112.5 | N783 W784 M785 T791 | N783-K787 PolarHBondContact O-N 3.31Å; W784-K787 WeakPolarHBondContact O-CA 3.36Å; W784-K787 WeakPolarHBondContact O-CB 3.45Å; W784-K787 PolarHBondContact O-N 2.89Å; M785-K787 PolarHBondContact O-N 2.96Å; K787-T791 PolarHBondContact O-OG1 2.9Å |
| 788 | V | 66.9 | Low | 65.9 | Low | 24 Ų | 24 | 64.3 Ų | 64.3 | 15% | 0.145 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -82.2 | -37.9 | -172.4 | -60 | 0 | 0 | 0 | 0 | 113.5 | I638 I653 W784 M785 T791 T792 | I638-V788 HydrophobicContact CG2-CG2 4.4Å; I653-V788 HydrophobicContact CD1-CG2 3.7Å; W784-V788 HydrophobicContact CD2-CG2 4.22Å; W784-V788 HydrophobicContact CG-CG1 4.44Å; W784-V788 HydrophobicContact CZ2-CG2 4.16Å; W784-V788 WeakPolarHBondContact O-CG2 3.13Å; W784-V788 PolarHBondContact O-N 3.21Å; M785-V788 PolarHBondContact O-N 3.35Å; V788-T791 WeakPolarHBondContact CA-OG1 3.43Å; V788-T791 PolarHBondContact O-N 3.07Å; V788-T791 VanDerWaalsContact O-N 3.17Å; V788-T791 PolarHBondContact O-OG1 2.97Å; V788-T792 PolarHBondContact O-N 3.26Å; V788-T792 PolarHBondContact O-OG1 2.87Å |
| 789 | I | 68.4 | Low | 64.1 | Low | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | -174.7 | -69.2 | 164.7 | 0 | 0 | 0 | 112.7 | W557 L565 I653 M785 T791 T792 | W557-I789 HydrophobicContact CD2-CD1 3.7Å; W557-I789 VanDerWaalsContact CE2-CD1 3.48Å; W557-I789 HydrophobicContact CE3-CD1 3.86Å; W557-I789 HydrophobicContact CG-CD1 4.46Å; W557-I789 HydrophobicContact CH2-CD1 3.65Å; W557-I789 HydrophobicContact CZ2-CB 4.35Å; W557-I789 HydrophobicContact CZ2-CD1 3.46Å; W557-I789 VanDerWaalsContact CZ2-CD1 3.46Å; W557-I789 HydrophobicContact CZ2-CG1 4.47Å; W557-I789 HydrophobicContact CZ3-CD1 3.85Å; L565-I789 HydrophobicContact CD1-CD1 3.79Å; L565-I789 HydrophobicContact CD1-CG1 4.17Å; L565-I789 HydrophobicContact CD1-CG2 3.85Å; I653-I789 HydrophobicContact CD1-CD1 4.23Å; I653-I789 HydrophobicContact CD1-CG1 3.97Å; M785-I789 HydrophobicContact CB-CD1 3.91Å; M785-I789 HydrophobicContact CE-CD1 4.16Å; M785-I789 WeakPolarHBondContact O-CB 3.3Å; M785-I789 WeakPolarHBondContact O-CD1 3.08Å; M785-I789 VanDerWaalsContact O-CG1 3.28Å; M785-I789 WeakPolarHBondContact O-CG1 3.47Å; M785-I789 PolarHBondContact O-N 3.24Å; I789-T791 VanDerWaalsContact C-N 3.32Å; I789-T791 PolarHBondContact O-N 3.31Å; I789-T792 PolarHBondContact O-N 3Å |
| 790 | P | 49.4 | Very low | 62.7 | Low | 80 Ų | 80 | 67.3 Ų | 67.3 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 177.5 | -21.2 | 33.2 | 0 | 0 | 0 | 112.7 | R786 T792 V793 | R786-P790 WeakPolarHBondContact O-CD 3.42Å; R786-P790 VanDerWaalsContact O-CG 3.29Å; R786-P790 WeakPolarHBondContact O-CG 3.07Å; P790-T792 VanDerWaalsContact C-N 3.3Å; P790-T792 PolarHBondContact O-N 2.65Å; P790-V793 PolarHBondContact O-N 3.06Å |
| 791 | T | 44.5 | Very low | 61.2 | Low | 77 Ų | 77 | 62.8 Ų | 62.8 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.3 | -26.4 | -177.7 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | K787 V788 I789 | K787-T791 PolarHBondContact O-OG1 2.9Å; V788-T791 WeakPolarHBondContact CA-OG1 3.43Å; V788-T791 PolarHBondContact O-N 3.07Å; V788-T791 VanDerWaalsContact O-N 3.17Å; V788-T791 PolarHBondContact O-OG1 2.97Å; I789-T791 VanDerWaalsContact C-N 3.32Å; I789-T791 PolarHBondContact O-N 3.31Å |
| 792 | T | 46.9 | Very low | 59.4 | Low | 34 Ų | 34 | 66.1 Ų | 66.1 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -82.6 | -25.2 | -179.1 | -30.3 | 0 | 0 | 0 | 0 | 113.6 | H636 I638 V788 I789 P790 | H636-T792 HydrophobicContact CB-CG2 4.24Å; I638-T792 HydrophobicContact CD1-CG2 3.92Å; I638-T792 VanDerWaalsContact CD1-OG1 3.24Å; I638-T792 WeakPolarHBondContact CD1-OG1 3.4Å; V788-T792 PolarHBondContact O-N 3.26Å; V788-T792 PolarHBondContact O-OG1 2.87Å; I789-T792 PolarHBondContact O-N 3Å; P790-T792 VanDerWaalsContact C-N 3.3Å; P790-T792 PolarHBondContact O-N 2.65Å |
| 793 | V | 41.3 | Very low | 57.7 | Low | 90 Ų | 90 | 67.2 Ų | 67.2 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -80.2 | -25.8 | -175.2 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | P790 | P790-V793 PolarHBondContact O-N 3.06Å |
| 794 | N | 39.9 | Very low | 56.4 | Low | 115 Ų | 115 | 66.6 Ų | 66.6 | 62% | 0.615 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -107 | -9.2 | -172.6 | -117.6 | -1.9 | 0 | 0 | 0 | 116.4 | ||
| 795 | H | 37.9 | Very low | 54.9 | Low | 133 Ų | 133 | 64.9 Ų | 64.9 | 62% | 0.616 | 34% | 0.337 | S | S | * | . | trans | -150 | 119.5 | 178.1 | -71 | 93.3 | 0 | 0 | 0 | 110.5 | I797 | H795-I797 WeakPolarHBondContact O-CG1 3.42Å; H795-I797 PolarHBondContact O-N 2.89Å | ||
| 796 | A | 40 | Very low | 53.4 | Low | 62 Ų | 62 | 67.8 Ų | 67.8 | 51% | 0.512 | 36% | 0.355 | S | S | . | . | trans | -63.4 | 107.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | C798 N854 | A796-C798 PolarHBondContact O-N 2.81Å; A796-N854 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 797 | I | 47.8 | Very low | 52.2 | Low | 57 Ų | 57 | 64.2 Ų | 64.2 | 29% | 0.292 | 35% | 0.351 | S | S | . | . | trans | -73.1 | 102.9 | -163.2 | -51.6 | 176.3 | 0 | 0 | 0 | 109.2 | H795 K800 K1025 | H795-I797 WeakPolarHBondContact O-CG1 3.42Å; H795-I797 PolarHBondContact O-N 2.89Å; I797-K800 HydrophobicContact CB-CB 4.25Å; I797-K800 HydrophobicContact CB-CD 4.35Å; I797-K800 HydrophobicContact CB-CG 4.44Å; I797-K800 HydrophobicContact CD1-CD 4.11Å; I797-K800 HydrophobicContact CG2-CB 4.07Å; I797-K800 HydrophobicContact CG2-CD 3.84Å; I797-K800 HydrophobicContact CG2-CG 3.81Å; I797-K800 PolarHBondContact O-N 3.28Å; I797-K1025 HydrophobicContact CG2-CD 4.19Å; I797-K1025 HydrophobicContact CG2-CG 4.16Å | ||
| 798 | C | 54.1 | Low | 51 | Low | 34 Ų | 34 | 61.4 Ų | 61.4 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 143.4 | 170.3 | 90.8 | 0 | 0 | 0 | 0 | 110.1 | A796 K800 L960 K1025 | A796-C798 PolarHBondContact O-N 2.81Å; C798-K800 PolarHBondContact O-N 2.79Å; C798-L960 VanDerWaalsContact CA-O 3.24Å; C798-L960 WeakPolarHBondContact CA-O 3.23Å; C798-L960 WeakPolarHBondContact CB-O 3.5Å; C798-K1025 WeakPolarHBondContact O-CD 2.94Å; C798-K1025 WeakPolarHBondContact O-CG 3.38Å |
| 799 | G | 56.1 | Low | 50 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 0.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | P801 K1025 Y1026 | G799-P801 WeakPolarHBondContact O-CD 3.48Å; G799-K1025 CarbonylContact O-C 3.5Å; G799-K1025 WeakPolarHBondContact O-CA 3.43Å; G799-Y1026 WeakPolarHBondContact CA-O 3.43Å; G799-Y1026 WeakPolarHBondContact O-CD2 3.47Å; G799-Y1026 PolarHBondContact O-N 2.55Å |
| 800 | K | 58.2 | Low | 48.7 | Very low | 83 Ų | 83 | 72.3 Ų | 72.3 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | trans | -97.5 | 105.6 | 169.1 | -84.3 | -166.9 | 177.2 | -168.3 | 0 | 110.5 | I797 C798 D1024 | I797-K800 HydrophobicContact CB-CB 4.25Å; I797-K800 HydrophobicContact CB-CD 4.35Å; I797-K800 HydrophobicContact CB-CG 4.44Å; I797-K800 HydrophobicContact CD1-CD 4.11Å; I797-K800 HydrophobicContact CG2-CB 4.07Å; I797-K800 HydrophobicContact CG2-CD 3.84Å; I797-K800 HydrophobicContact CG2-CG 3.81Å; I797-K800 PolarHBondContact O-N 3.28Å; C798-K800 PolarHBondContact O-N 2.79Å; K800-D1024 WeakPolarHBondContact CE-O 3.05Å; K800-D1024 WeakPolarHBondContact CG-O 3.21Å; K800-D1024 IonicContact NZ-OD2 3.64Å | ||
| 801 | P | 57.3 | Low | 48.6 | Very low | 19 Ų | 19 | 80.9 Ų | 80.9 | 12% | 0.123 | 42% | 0.418 | C | S | . | . | trans | -67 | 151.1 | 173.4 | 31.1 | -34.7 | 0 | 0 | 0 | 109.9 | G799 F803 S825 W828 Y1026 | G799-P801 WeakPolarHBondContact O-CD 3.48Å; P801-F803 VanDerWaalsContact C-N 3.29Å; P801-F803 WeakPolarHBondContact CB-O 3.16Å; P801-S825 WeakPolarHBondContact CB-O 3.12Å; P801-W828 HydrophobicContact CB-CH2 4.16Å; P801-W828 HydrophobicContact CB-CZ3 4.25Å; P801-W828 HydrophobicContact CG-CH2 4.28Å; P801-Y1026 HydrophobicContact CG-CD2 4.12Å; P801-Y1026 HydrophobicContact CG-CE2 3.97Å | ||
| 802 | Y | 51.5 | Low | 48.6 | Very low | 83 Ų | 83 | 85 Ų | 85 | 33% | 0.325 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -72.5 | -27.4 | 178.5 | -164.6 | -100.4 | 0 | 0 | 0 | 112.1 | L607 A608 | L607-Y802 HydrophobicContact CB-CE1 3.74Å; L607-Y802 WeakPolarHBondContact CB-OH 3.41Å; L607-Y802 HydrophobicContact CD1-CE1 3.97Å; L607-Y802 HydrophobicContact CD1-CE2 4.36Å; L607-Y802 WeakPolarHBondContact CD1-OH 3.33Å; L607-Y802 HydrophobicContact CG-CE1 4.33Å; A608-Y802 PolarHBondContact O-OH 2.04Å |
| 803 | F | 53.6 | Low | 48.4 | Very low | 32 Ų | 32 | 85.6 Ų | 85.6 | 14% | 0.14 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -116.3 | 127.9 | 171.3 | -54.8 | -88.9 | 0 | 0 | 0 | 108.1 | P606 P801 H824 | P606-F803 HydrophobicContact CB-CD1 4.45Å; P606-F803 HydrophobicContact CB-CE1 3.7Å; P801-F803 VanDerWaalsContact C-N 3.29Å; P801-F803 WeakPolarHBondContact CB-O 3.16Å; F803-H824 HydrophobicContact CD2-CB 3.82Å; F803-H824 HydrophobicContact CE2-CB 3.73Å |
| 804 | D | 54.7 | Low | 48.5 | Very low | 88 Ų | 88 | 89.1 Ų | 89.1 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | trans | -59.4 | 136.1 | 172 | -94.2 | -31.8 | 0 | 0 | 0 | 109.6 | V806 | D804-V806 HydrophobicContact CB-CG2 4.09Å; D804-V806 PolarHBondContact O-N 3.02Å | ||
| 805 | P | 54.1 | Low | 48.9 | Very low | 27 Ų | 27 | 87 Ų | 87 | 18% | 0.175 | 43% | 0.431 | C | S | . | . | trans | -72.8 | 78.9 | 176.2 | 29.3 | -32.5 | 0 | 0 | 0 | 109.3 | H826 Y1026 | P805-H826 WeakPolarHBondContact CB-NE2 3.31Å; P805-Y1026 HydrophobicContact CG-CE2 4.15Å; P805-Y1026 WeakPolarHBondContact CG-OH 3.24Å | ||
| 806 | V | 52.3 | Low | 49.3 | Very low | 61 Ų | 61 | 83.9 Ų | 83.9 | 37% | 0.37 | 42% | 0.421 | S | S | . | . | trans | -87.2 | 128.6 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 109 | D804 K808 V822 | D804-V806 HydrophobicContact CB-CG2 4.09Å; D804-V806 PolarHBondContact O-N 3.02Å; V806-K808 PolarHBondContact O-N 3.27Å; V806-V822 WeakPolarHBondContact O-CG2 3.31Å | ||
| 807 | P | 52.2 | Low | 49.5 | Very low | 71 Ų | 71 | 87 Ų | 87 | 46% | 0.461 | 43% | 0.429 | S | S | . | . | trans | -60.9 | 127.2 | 178.7 | 12.4 | -21.5 | 0 | 0 | 0 | 113 | P809 F819 | P807-P809 WeakPolarHBondContact O-CD 3.47Å; P807-F819 HydrophobicContact CB-CD1 3.69Å; P807-F819 HydrophobicContact CB-CD2 3.77Å; P807-F819 HydrophobicContact CB-CE1 3.66Å; P807-F819 HydrophobicContact CB-CE2 3.71Å; P807-F819 HydrophobicContact CB-CG 3.75Å; P807-F819 HydrophobicContact CB-CZ 3.66Å; P807-F819 HydrophobicContact CG-CE1 4.36Å; P807-F819 HydrophobicContact CG-CZ 4.22Å | ||
| 808 | K | 44.2 | Very low | 49.7 | Very low | 108 Ų | 108 | 85.1 Ų | 85.1 | 47% | 0.47 | 42% | 0.424 | S | S | . | . | trans | -98.5 | 109.3 | 160.9 | -76.1 | -169.3 | 178.3 | -176.9 | 0 | 109.6 | V806 K810 V822 | V806-K808 PolarHBondContact O-N 3.27Å; K808-K810 PolarHBondContact O-N 3.05Å; K808-V822 HydrophobicContact CG-CG2 4.46Å | ||
| 809 | P | 46.8 | Very low | 49.9 | Very low | 126 Ų | 126 | 87.8 Ų | 87.8 | 82% | 0.818 | 43% | 0.432 | S | S | * | . | trans | -73.2 | 99.6 | 178.5 | 27.3 | -31 | 0 | 0 | 0 | 110.5 | P807 | P807-P809 WeakPolarHBondContact O-CD 3.47Š| ||
| 810 | K | 41.2 | Very low | 50.2 | Low | 138 Ų | 138 | 91.6 Ų | 91.6 | 60% | 0.6 | 45% | 0.45 | S | S | * | . | trans | -98 | 142.1 | 157.5 | -84.8 | -176.3 | -179 | 170 | 0 | 109.6 | K808 N812 N813 E820 | K808-K810 PolarHBondContact O-N 3.05Å; K810-N812 PolarHBondContact O-N 2.8Å; K810-N813 PolarHBondContact O-ND2 2.84Å; K810-N813 PolarHBondContact O-OD1 2.83Å; K810-E820 IonicContact NZ-OE2 2.73Å | ||
| 811 | R | 46.7 | Very low | 50.2 | Low | 260 Ų | 260 | 89.4 Ų | 89.4 | 98% | 0.981 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -74.8 | 1.4 | -177.1 | -87.4 | -175.8 | 174.1 | -179.1 | -1.5 | 115.3 | ||
| 812 | N | 45 | Very low | 50.5 | Low | 163 Ų | 163 | 90.1 Ų | 90.1 | 87% | 0.872 | 45% | 0.451 | S | S | * | . | trans | -137.9 | 65.1 | -172.2 | -125.3 | 5 | 0 | 0 | 0 | 110.6 | K810 | K810-N812 PolarHBondContact O-N 2.8Š| ||
| 813 | N | 42.3 | Very low | 50.8 | Low | 48 Ų | 48 | 88.8 Ų | 88.8 | 26% | 0.257 | 45% | 0.453 | S | S | . | . | trans | -93 | 139.6 | -178.4 | -61.2 | -35.1 | 0 | 0 | 0 | 110.9 | K810 I815 G818 F819 | K810-N813 PolarHBondContact O-ND2 2.84Å; K810-N813 PolarHBondContact O-OD1 2.83Å; N813-I815 VanDerWaalsContact C-N 3.32Å; N813-I815 WeakPolarHBondContact CB-O 3.26Å; N813-G818 WeakPolarHBondContact CB-O 3.32Å; N813-G818 PolarHBondContact ND2-O 2.9Å; N813-F819 WeakPolarHBondContact ND2-CA 3.26Å | ||
| 814 | R | 43.7 | Very low | 51.1 | Low | 163 Ų | 163 | 92.2 Ų | 92.2 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -68.4 | -33 | 175.6 | -175.3 | 179.6 | 173.8 | 136.2 | -2.6 | 111.7 | A1010 E1011 | R814-A1010 HydrophobicContact CG-CB 4.26Å; R814-E1011 PolarHBondContact NH2-O 2.77Å |
| 815 | I | 48 | Very low | 51.5 | Low | 72 Ų | 72 | 88.1 Ų | 88.1 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -83 | 113.3 | 167 | -54.9 | 176.7 | 0 | 0 | 0 | 106.1 | N813 D817 G818 | N813-I815 VanDerWaalsContact C-N 3.32Å; N813-I815 WeakPolarHBondContact CB-O 3.26Å; I815-D817 PolarHBondContact O-N 2.85Å; I815-G818 PolarHBondContact O-N 3.16Å |
| 816 | V | 45.4 | Very low | 52.3 | Low | 67 Ų | 67 | 89.6 Ų | 89.6 | 41% | 0.406 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 122.6 | -178.4 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | G818 K1006 | V816-G818 PolarHBondContact O-N 3.08Å; V816-K1006 HydrophobicContact CG1-CB 4.41Å; V816-K1006 WeakPolarHBondContact CG1-O 3.29Å |
| 817 | D | 44.7 | Very low | 52.9 | Low | 126 Ų | 126 | 87.9 Ų | 87.9 | 67% | 0.674 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | -0.8 | -170.4 | -64.1 | -25.8 | 0 | 0 | 0 | 116.7 | I815 K1006 | I815-D817 PolarHBondContact O-N 2.85Å; D817-K1006 WeakPolarHBondContact OD2-CB 3.29Å |
| 818 | G | 52.5 | Low | 54 | Low | 18 Ų | 18 | 84.8 Ų | 84.8 | 19% | 0.186 | 42% | 0.421 | C | S | . | . | trans | -73.5 | 167.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N813 I815 V816 | N813-G818 WeakPolarHBondContact CB-O 3.32Å; N813-G818 PolarHBondContact ND2-O 2.9Å; I815-G818 PolarHBondContact O-N 3.16Å; V816-G818 PolarHBondContact O-N 3.08Å | ||
| 819 | F | 58.7 | Low | 55.7 | Low | 91 Ų | 91 | 82.5 Ų | 82.5 | 40% | 0.399 | 41% | 0.411 | S | S | . | . | trans | -118.5 | 148.1 | 172.7 | 44.6 | -88.8 | 0 | 0 | 0 | 110 | P807 N813 A821 | P807-F819 HydrophobicContact CB-CD1 3.69Å; P807-F819 HydrophobicContact CB-CD2 3.77Å; P807-F819 HydrophobicContact CB-CE1 3.66Å; P807-F819 HydrophobicContact CB-CE2 3.71Å; P807-F819 HydrophobicContact CB-CG 3.75Å; P807-F819 HydrophobicContact CB-CZ 3.66Å; P807-F819 HydrophobicContact CG-CE1 4.36Å; P807-F819 HydrophobicContact CG-CZ 4.22Å; N813-F819 WeakPolarHBondContact ND2-CA 3.26Å; F819-A821 PolarHBondContact O-N 2.93Å | ||
| 820 | E | 60.7 | Low | 57.4 | Low | 80 Ų | 80 | 76.5 Ų | 76.5 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 122.5 | 171.4 | -169.7 | 177.3 | -169.5 | 0 | 0 | 108.3 | K810 N914 | K810-E820 IonicContact NZ-OE2 2.73Å; E820-N914 PolarHBondContact OE1-ND2 2.78Å |
| 821 | A | 58.5 | Low | 59.4 | Low | 36 Ų | 36 | 70.6 Ų | 70.6 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 141.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F819 | F819-A821 PolarHBondContact O-N 2.93Š|
| 822 | V | 63.4 | Low | 61.3 | Low | 34 Ų | 34 | 58.2 Ų | 58.2 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 129.2 | 171.3 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | V806 K808 H824 S825 | V806-V822 WeakPolarHBondContact O-CG2 3.31Å; K808-V822 HydrophobicContact CG-CG2 4.46Å; V822-H824 PolarHBondContact O-N 3.28Å; V822-S825 PolarHBondContact N-OG 2.89Å; V822-S825 VanDerWaalsContact O-CB 3.3Å; V822-S825 WeakPolarHBondContact O-CB 3.2Å; V822-S825 PolarHBondContact O-N 3.45Å; V822-S825 PolarHBondContact O-OG 3.17Å |
| 823 | P | 59.1 | Low | 63.2 | Low | 56 Ų | 56 | 52.2 Ų | 52.2 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 133 | 176.3 | -28.9 | 35 | 0 | 0 | 0 | 111.3 | S825 | P823-S825 VanDerWaalsContact C-N 3.26Å; P823-S825 PolarHBondContact O-N 3.43Å |
| 824 | H | 59.5 | Low | 65 | Low | 104 Ų | 104 | 50 Ų | 50 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 0.5 | -177.9 | -46.3 | -69.4 | 0 | 0 | 0 | 117.6 | F803 V822 H826 | F803-H824 HydrophobicContact CD2-CB 3.82Å; F803-H824 HydrophobicContact CE2-CB 3.73Å; V822-H824 PolarHBondContact O-N 3.28Å; H824-H826 VanDerWaalsContact C-N 3.31Å; H824-H826 PolarHBondContact O-N 3.25Å |
| 825 | S | 62.9 | Low | 66.6 | Low | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -71.4 | -23 | 174.4 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | P801 V822 P823 P827 | P801-S825 WeakPolarHBondContact CB-O 3.12Å; V822-S825 PolarHBondContact N-OG 2.89Å; V822-S825 VanDerWaalsContact O-CB 3.3Å; V822-S825 WeakPolarHBondContact O-CB 3.2Å; V822-S825 PolarHBondContact O-N 3.45Å; V822-S825 PolarHBondContact O-OG 3.17Å; P823-S825 VanDerWaalsContact C-N 3.26Å; P823-S825 PolarHBondContact O-N 3.43Å; S825-P827 WeakPolarHBondContact O-CD 3.16Å |
| 826 | H | 70.3 | Confident | 67.5 | Low | 59 Ų | 59 | 42.9 Ų | 42.9 | 27% | 0.273 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -122.1 | 73.6 | 175 | -63.5 | -87.4 | 0 | 0 | 0 | 110.4 | P805 H824 W828 Q829 | P805-H826 WeakPolarHBondContact CB-NE2 3.31Å; H824-H826 VanDerWaalsContact C-N 3.31Å; H824-H826 PolarHBondContact O-N 3.25Å; H826-W828 AromaticContact ND1-CZ2 3.77Å; H826-W828 PolarHBondContact O-N 2.9Å; H826-W828 VanDerWaalsContact O-N 3.16Å; H826-Q829 HydrophobicContact CB-CB 4.29Å; H826-Q829 WeakPolarHBondContact O-CB 3.49Å; H826-Q829 PolarHBondContact O-N 2.83Å; H826-Q829 VanDerWaalsContact O-N 3.11Å |
| 827 | P | 65.6 | Low | 68.2 | Low | 25 Ų | 25 | 46 Ų | 46 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.7 | -171.8 | 24.9 | -33.3 | 0 | 0 | 0 | 113.9 | S825 I959 | S825-P827 WeakPolarHBondContact O-CD 3.16Å; P827-I959 HydrophobicContact CB-CB 4.34Å; P827-I959 HydrophobicContact CB-CD1 4.37Å; P827-I959 HydrophobicContact CB-CG2 4.47Å; P827-I959 HydrophobicContact CG-CB 4.25Å; P827-I959 HydrophobicContact CG-CD1 4.23Å; P827-I959 HydrophobicContact CG-CG2 3.86Å |
| 828 | W | 73.9 | Confident | 69 | Low | 6 Ų | 6 | 43.5 Ų | 43.5 | 2% | 0.023 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -12.2 | 176.7 | 49.7 | 83.2 | 0 | 0 | 0 | 114.1 | P801 H826 A830 S846 L847 Y1026 | P801-W828 HydrophobicContact CB-CH2 4.16Å; P801-W828 HydrophobicContact CB-CZ3 4.25Å; P801-W828 HydrophobicContact CG-CH2 4.28Å; H826-W828 AromaticContact ND1-CZ2 3.77Å; H826-W828 PolarHBondContact O-N 2.9Å; H826-W828 VanDerWaalsContact O-N 3.16Å; W828-A830 PolarHBondContact O-N 2.99Å; W828-S846 CarbonylContact O-C 3.59Å; W828-S846 VanDerWaalsContact O-CA 3.31Å; W828-S846 WeakPolarHBondContact O-CA 3.34Å; W828-L847 PolarHBondContact O-N 2.71Å; W828-Y1026 AromaticContact CH2-CD2 3.87Å; W828-Y1026 HydrophobicContact CH2-CD2 3.87Å; W828-Y1026 AromaticContact CH2-CG 3.78Å; W828-Y1026 HydrophobicContact CH2-CG 3.78Å; W828-Y1026 HydrophobicContact CZ2-CD1 4.36Å; W828-Y1026 HydrophobicContact CZ2-CD2 4.41Å; W828-Y1026 AromaticContact CZ2-CG 3.93Å; W828-Y1026 HydrophobicContact CZ2-CG 3.93Å |
| 829 | Q | 81.6 | Confident | 69.1 | Low | 59 Ų | 59 | 46 Ų | 46 | 28% | 0.276 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 132.4 | -176.8 | -172.4 | 67 | -0.5 | 0 | 0 | 111.7 | H826 G911 | H826-Q829 HydrophobicContact CB-CB 4.29Å; H826-Q829 WeakPolarHBondContact O-CB 3.49Å; H826-Q829 PolarHBondContact O-N 2.83Å; H826-Q829 VanDerWaalsContact O-N 3.11Å; Q829-G911 PolarHBondContact O-N 2.96Å |
| 830 | A | 81 | Confident | 69.3 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W828 G844 G845 I859 V908 Y909 V910 | W828-A830 PolarHBondContact O-N 2.99Å; A830-G844 CarbonylContact O-C 3.23Å; A830-G845 PolarHBondContact N-O 3.27Å; A830-G845 PolarHBondContact O-N 3.3Å; A830-I859 HydrophobicContact CB-CD1 3.81Å; A830-I859 HydrophobicContact CB-CG2 4.49Å; A830-V908 HydrophobicContact CB-CG1 4.29Å; A830-Y909 CarbonylContact C-O 3.58Å; A830-Y909 VanDerWaalsContact CA-O 3.29Å; A830-Y909 WeakPolarHBondContact CA-O 3.03Å; A830-V910 HydrophobicContact CB-CG2 4.39Å |
| 831 | V | 84.5 | Confident | 69.8 | Low | 15 Ų | 15 | 45.6 Ų | 45.6 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133 | 171.4 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | Y833 L842 V908 Y909 A912 I915 | V831-Y833 HydrophobicContact CG1-CD2 4.03Å; V831-Y833 HydrophobicContact CG1-CE2 3.53Å; V831-L842 HydrophobicContact CG1-CD1 3.67Å; V831-V908 WeakPolarHBondContact O-CA 3.4Å; V831-Y909 PolarHBondContact N-O 2.91Å; V831-Y909 PolarHBondContact O-N 2.87Å; V831-A912 HydrophobicContact CB-CB 4.3Å; V831-A912 HydrophobicContact CG2-CB 3.8Å; V831-I915 HydrophobicContact CG1-CG1 4.46Å |
| 832 | I | 85.7 | Confident | 70.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.9 | -177.6 | -52.7 | 172.7 | 0 | 0 | 0 | 107.4 | V834 C843 G844 I859 T861 V906 H907 V908 L947 | I832-V834 HydrophobicContact CG2-CG2 3.98Å; I832-C843 HydrophobicContact CB-CB 4.23Å; I832-C843 PolarHBondContact N-O 2.91Å; I832-C843 PolarHBondContact O-N 2.94Å; I832-G844 WeakPolarHBondContact CD1-O 3.41Å; I832-I859 HydrophobicContact CD1-CG2 4.13Å; I832-T861 HydrophobicContact CD1-CG2 3.88Å; I832-T861 WeakPolarHBondContact CD1-OG1 3.29Å; I832-V906 HydrophobicContact CG2-CG1 3.58Å; I832-H907 WeakPolarHBondContact CA-O 3.42Å; I832-V908 HydrophobicContact CG1-CG2 4.26Å; I832-V908 HydrophobicContact CG2-CG2 4.36Å; I832-L947 HydrophobicContact CD1-CD1 3.72Å; I832-L947 HydrophobicContact CG1-CD1 4.32Å; I832-L947 HydrophobicContact CG2-CD1 4.18Å |
| 833 | Y | 84.8 | Confident | 71.6 | Confident | 36 Ų | 36 | 44 Ų | 44 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.6 | 170.1 | -68.5 | -88.3 | 0 | 0 | 0 | 108.9 | V831 L840 S841 L842 V906 H907 Y909 | V831-Y833 HydrophobicContact CG1-CD2 4.03Å; V831-Y833 HydrophobicContact CG1-CE2 3.53Å; Y833-L840 HydrophobicContact CD1-CD1 4.22Å; Y833-L840 HydrophobicContact CD1-CD2 3.48Å; Y833-L840 VanDerWaalsContact CD1-CD2 3.48Å; Y833-L840 HydrophobicContact CD1-CG 3.8Å; Y833-L840 HydrophobicContact CE1-CD2 3.87Å; Y833-L840 HydrophobicContact CG-CD2 4.49Å; Y833-S841 WeakPolarHBondContact CA-O 3.42Å; Y833-L842 HydrophobicContact CD1-CD1 3.73Å; Y833-L842 HydrophobicContact CE1-CD1 3.25Å; Y833-L842 HydrophobicContact CE2-CD1 4.2Å; Y833-L842 HydrophobicContact CG-CD1 4.41Å; Y833-V906 WeakPolarHBondContact O-CA 3.21Å; Y833-H907 PolarHBondContact N-O 2.82Å; Y833-H907 PolarHBondContact O-N 3.3Å; Y833-Y909 AromaticContact CD2-CD2 3.73Å; Y833-Y909 HydrophobicContact CD2-CD2 3.73Å; Y833-Y909 AromaticContact CD2-CE2 3.63Å; Y833-Y909 HydrophobicContact CD2-CE2 3.63Å; Y833-Y909 AromaticContact CE2-CD2 3.84Å; Y833-Y909 HydrophobicContact CE2-CD2 3.84Å; Y833-Y909 AromaticContact CE2-CE2 3.89Å; Y833-Y909 HydrophobicContact CE2-CE2 3.89Å |
| 834 | V | 80.4 | Confident | 72.7 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.8 | 176.5 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | I832 M836 S841 C865 V901 D905 V906 | I832-V834 HydrophobicContact CG2-CG2 3.98Å; V834-M836 HydrophobicContact CB-CE 4.35Å; V834-M836 HydrophobicContact CG1-CE 3.61Å; V834-M836 HydrophobicContact CG1-CG 3.97Å; V834-S841 PolarHBondContact N-O 3.08Å; V834-S841 PolarHBondContact O-N 2.81Å; V834-C865 WeakPolarHBondContact CG2-O 3.49Å; V834-V901 HydrophobicContact CG1-CB 4.09Å; V834-V901 HydrophobicContact CG1-CG1 3.75Å; V834-V901 HydrophobicContact CG1-CG2 3.7Å; V834-D905 WeakPolarHBondContact CA-O 3.47Å; V834-V906 HydrophobicContact CG1-CG2 4.32Å; V834-V906 HydrophobicContact CG2-CG1 4.29Å; V834-V906 HydrophobicContact CG2-CG2 4.2Å |
| 835 | N | 77.6 | Confident | 73.9 | Confident | 64 Ų | 64 | 36.6 Ų | 36.6 | 34% | 0.342 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 105.7 | 178 | -169.9 | -5.3 | 0 | 0 | 0 | 109.6 | G838 L840 D905 | N835-G838 PolarHBondContact OD1-N 3.09Å; N835-L840 HydrophobicContact CB-CD1 4.48Å; N835-D905 HydrophobicContact CB-CB 4.48Å; N835-D905 PolarHBondContact N-O 2.8Å |
| 836 | M | 66.3 | Low | 74.9 | Confident | 22 Ų | 22 | 36.6 Ų | 36.6 | 11% | 0.108 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 101.4 | 175.9 | -62.3 | -174.6 | -170.1 | 0 | 0 | 108.9 | V834 G838 S839 I867 V901 | V834-M836 HydrophobicContact CB-CE 4.35Å; V834-M836 HydrophobicContact CG1-CE 3.61Å; V834-M836 HydrophobicContact CG1-CG 3.97Å; M836-G838 PolarHBondContact O-N 3.18Å; M836-G838 VanDerWaalsContact O-N 3.09Å; M836-S839 PolarHBondContact N-O 3.28Å; M836-S839 PolarHBondContact O-N 3.49Å; M836-S839 PolarHBondContact O-OG 2.87Å; M836-I867 WeakPolarHBondContact CE-O 3.38Å; M836-V901 HydrophobicContact CE-CG1 3.88Å; M836-V901 HydrophobicContact CG-CG1 3.92Å; M836-V901 HydrophobicContact SD-CG1 4.45Å |
| 837 | N | 60.4 | Low | 75.3 | Confident | 132 Ų | 132 | 34.6 Ų | 34.6 | 71% | 0.706 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 38.2 | 174.5 | -64.5 | -35.4 | 0 | 0 | 0 | 114.9 | D870 | N837-D870 PolarHBondContact ND2-OD2 2.83Š|
| 838 | G | 60.8 | Low | 75.5 | Confident | 74 Ų | 74 | 33.6 Ų | 33.6 | 76% | 0.763 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | -2.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | N835 M836 | N835-G838 PolarHBondContact OD1-N 3.09Å; M836-G838 PolarHBondContact O-N 3.18Å; M836-G838 VanDerWaalsContact O-N 3.09Å |
| 839 | S | 56.1 | Low | 74.9 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 50% | 0.497 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.7 | 165.5 | 67.3 | 0 | 0 | 0 | 0 | 110 | M836 | M836-S839 PolarHBondContact N-O 3.28Å; M836-S839 PolarHBondContact O-N 3.49Å; M836-S839 PolarHBondContact O-OG 2.87Å |
| 840 | L | 61.7 | Low | 73.5 | Confident | 111 Ų | 111 | 36.1 Ų | 36.1 | 58% | 0.581 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 109.5 | -179.4 | -165.7 | 75.4 | 0 | 0 | 0 | 108.9 | Y833 N835 | Y833-L840 HydrophobicContact CD1-CD1 4.22Å; Y833-L840 HydrophobicContact CD1-CD2 3.48Å; Y833-L840 VanDerWaalsContact CD1-CD2 3.48Å; Y833-L840 HydrophobicContact CD1-CG 3.8Å; Y833-L840 HydrophobicContact CE1-CD2 3.87Å; Y833-L840 HydrophobicContact CG-CD2 4.49Å; N835-L840 HydrophobicContact CB-CD1 4.48Å |
| 841 | S | 71.2 | Confident | 72.1 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 140.2 | 173.4 | -167.7 | 0 | 0 | 0 | 0 | 110.3 | Y833 V834 | Y833-S841 WeakPolarHBondContact CA-O 3.42Å; V834-S841 PolarHBondContact N-O 3.08Å; V834-S841 PolarHBondContact O-N 2.81Å |
| 842 | L | 77 | Confident | 70.3 | Confident | 34 Ų | 34 | 43 Ų | 43 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.1 | -177.8 | -174.7 | 90.2 | 0 | 0 | 0 | 109.4 | V831 Y833 I915 G1012 | V831-L842 HydrophobicContact CG1-CD1 3.67Å; Y833-L842 HydrophobicContact CD1-CD1 3.73Å; Y833-L842 HydrophobicContact CE1-CD1 3.25Å; Y833-L842 HydrophobicContact CE2-CD1 4.2Å; Y833-L842 HydrophobicContact CG-CD1 4.41Å; L842-I915 HydrophobicContact CD1-CD1 3.75Å; L842-I915 HydrophobicContact CD1-CG1 4.43Å; L842-I915 HydrophobicContact CD2-CD1 3.35Å; L842-I915 HydrophobicContact CG-CD1 4.15Å; L842-G1012 WeakPolarHBondContact O-CA 3.35Å |
| 843 | C | 82.6 | Confident | 68.3 | Low | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 157 | 174.3 | -81.3 | 0 | 0 | 0 | 0 | 111.8 | I832 C865 G1012 S1014 | I832-C843 HydrophobicContact CB-CB 4.23Å; I832-C843 PolarHBondContact N-O 2.91Å; I832-C843 PolarHBondContact O-N 2.94Å; C843-C865 HydrophobicContact CB-CB 3.7Å; C843-C865 WeakPolarHBondContact CB-SG 3.43Å; C843-C865 WeakPolarHBondContact SG-CB 3.32Å; C843-C865 CovalentContact SG-SG 2.04Å; C843-C865 PolarHBondContact SG-SG 2.94Å; C843-G1012 CarbonylContact C-O 3.57Å; C843-S1014 CarbonylContact C-O 3.23Å; C843-S1014 WeakPolarHBondContact CA-O 3.4Å; C843-S1014 WeakPolarHBondContact CB-O 3.49Å |
| 844 | G | 82.8 | Confident | 66.4 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 163 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A830 I832 T861 G1012 S1014 G1015 | A830-G844 CarbonylContact O-C 3.23Å; I832-G844 WeakPolarHBondContact CD1-O 3.41Å; G844-T861 PolarHBondContact O-OG1 3.05Å; G844-G1012 PolarHBondContact N-O 3.22Å; G844-G1012 VanDerWaalsContact N-O 3.11Å; G844-S1014 PolarHBondContact N-O 3.06Å; G844-G1015 VanDerWaalsContact C-C 3.44Å; G844-G1015 CarbonylContact C-O 3.55Å; G844-G1015 CarbonylContact O-C 3.44Å; G844-G1015 VanDerWaalsContact O-CA 3.29Å; G844-G1015 WeakPolarHBondContact O-CA 3.28Å |
| 845 | G | 84.9 | Confident | 64.8 | Low | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 172.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A830 L860 G1015 | A830-G845 PolarHBondContact N-O 3.27Å; A830-G845 PolarHBondContact O-N 3.3Å; G845-L860 CarbonylContact C-O 3.59Å; G845-L860 VanDerWaalsContact CA-O 3.29Å; G845-L860 WeakPolarHBondContact CA-O 3.35Å; G845-G1015 WeakPolarHBondContact CA-O 3.19Å |
| 846 | S | 84.7 | Confident | 63.9 | Low | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.6 | 174.3 | -89.6 | 0 | 0 | 0 | 0 | 113.5 | W828 I859 L860 P1017 | W828-S846 CarbonylContact O-C 3.59Å; W828-S846 VanDerWaalsContact O-CA 3.31Å; W828-S846 WeakPolarHBondContact O-CA 3.34Å; S846-I859 CarbonylContact O-C 3.53Å; S846-I859 VanDerWaalsContact O-CA 3.26Å; S846-I859 WeakPolarHBondContact O-CA 3.23Å; S846-L860 PolarHBondContact N-O 3.3Å; S846-L860 PolarHBondContact O-N 3.02Å; S846-P1017 VanDerWaalsContact OG-CB 3.24Å; S846-P1017 WeakPolarHBondContact OG-CB 3.5Å; S846-P1017 VanDerWaalsContact OG-CD 3.24Å; S846-P1017 WeakPolarHBondContact OG-CD 3.27Å; S846-P1017 WeakPolarHBondContact OG-CG 3.32Å |
| 847 | L | 77.4 | Confident | 64.1 | Low | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 124.8 | 171 | -166.7 | 76.3 | 0 | 0 | 0 | 110.2 | W828 I859 V910 L960 | W828-L847 PolarHBondContact O-N 2.71Å; L847-I859 HydrophobicContact CB-CD1 4.09Å; L847-I859 HydrophobicContact CD1-CD1 3.72Å; L847-V910 HydrophobicContact CB-CG1 4.44Å; L847-V910 HydrophobicContact CD2-CG1 4.29Å; L847-L960 HydrophobicContact CD2-CD2 4.02Å |
| 848 | I | 70.3 | Confident | 65.1 | Low | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 144.8 | -173.6 | 58.8 | 155.5 | 0 | 0 | 0 | 110.6 | S856 L858 L860 C961 V963 I1028 | I848-S856 WeakPolarHBondContact O-CB 3.37Å; I848-S856 PolarHBondContact O-OG 3.42Å; I848-L858 HydrophobicContact CD1-CB 4.37Å; I848-L858 HydrophobicContact CG1-CB 3.89Å; I848-L858 PolarHBondContact N-O 3.39Å; I848-L860 HydrophobicContact CD1-CB 3.98Å; I848-L860 HydrophobicContact CG1-CB 4.25Å; I848-L860 HydrophobicContact CG2-CB 3.91Å; I848-C961 CarbonylContact C-O 3.52Å; I848-C961 WeakPolarHBondContact CA-O 3.01Å; I848-V963 HydrophobicContact CB-CG2 3.55Å; I848-V963 HydrophobicContact CD1-CG2 4.25Å; I848-V963 HydrophobicContact CG2-CG2 3.25Å; I848-I1028 HydrophobicContact CG2-CD1 3.98Å |
| 849 | D | 61.9 | Low | 66.2 | Low | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | trans | -126.7 | 94.9 | 179.8 | 166.4 | 29.3 | 0 | 0 | 0 | 110.3 | N851 G852 H853 L960 C961 S962 | D849-N851 PolarHBondContact O-N 3.17Å; D849-N851 PolarHBondContact OD1-N 3.4Å; D849-G852 PolarHBondContact OD1-N 3.22Å; D849-G852 WeakPolarHBondContact OD2-CA 3.32Å; D849-G852 PolarHBondContact OD2-N 3.12Å; D849-G852 VanDerWaalsContact OD2-N 3.15Å; D849-H853 VanDerWaalsContact CG-N 3.28Å; D849-H853 VanDerWaalsContact CG-O 3.29Å; D849-H853 PolarHBondContact OD1-N 3.03Å; D849-H853 PolarHBondContact OD2-N 3.18Å; D849-L960 HydrophobicContact CB-CB 3.99Å; D849-C961 PolarHBondContact N-O 2.97Å; D849-S962 WeakPolarHBondContact O-CA 3.49Å; D849-S962 VanDerWaalsContact O-CB 3.22Å; D849-S962 WeakPolarHBondContact O-CB 3.2Å | ||
| 850 | W | 52.1 | Low | 67.5 | Low | 111 Ų | 111 | 44.8 Ų | 44.8 | 42% | 0.42 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.7 | -172 | -164.1 | -95.4 | 0 | 0 | 0 | 115.3 | V963 V982 | W850-V963 HydrophobicContact CE3-CB 4.37Å; W850-V963 HydrophobicContact CZ3-CB 4.37Å; W850-V963 HydrophobicContact CZ3-CG1 4.25Å; W850-V982 HydrophobicContact CH2-CB 4.35Å; W850-V982 HydrophobicContact CZ2-CB 4.48Å |
| 851 | N | 50.8 | Low | 68.7 | Low | 99 Ų | 99 | 39.5 Ų | 39.5 | 53% | 0.529 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 15.1 | -166.9 | -74 | -21 | 0 | 0 | 0 | 115.3 | D849 H853 | D849-N851 PolarHBondContact O-N 3.17Å; D849-N851 PolarHBondContact OD1-N 3.4Å; N851-H853 WeakPolarHBondContact CB-NE2 3.4Å; N851-H853 PolarHBondContact O-N 2.84Å |
| 852 | G | 46.7 | Very low | 69 | Low | 60 Ų | 60 | 37.1 Ų | 37.1 | 62% | 0.619 | 21% | 0.209 | S | C | * | . | trans | 68.9 | 23.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D849 | D849-G852 PolarHBondContact OD1-N 3.22Å; D849-G852 WeakPolarHBondContact OD2-CA 3.32Å; D849-G852 PolarHBondContact OD2-N 3.12Å; D849-G852 VanDerWaalsContact OD2-N 3.15Å | ||
| 853 | H | 43.8 | Very low | 68.8 | Low | 108 Ų | 108 | 35.6 Ų | 35.6 | 50% | 0.5 | 20% | 0.201 | S | C | . | . | trans | -75.8 | 137.5 | 174.1 | -67.4 | -52.7 | 0 | 0 | 0 | 111.4 | D849 N851 S855 L960 | D849-H853 VanDerWaalsContact CG-N 3.28Å; D849-H853 VanDerWaalsContact CG-O 3.29Å; D849-H853 PolarHBondContact OD1-N 3.03Å; D849-H853 PolarHBondContact OD2-N 3.18Å; N851-H853 WeakPolarHBondContact CB-NE2 3.4Å; N851-H853 PolarHBondContact O-N 2.84Å; H853-S855 PolarHBondContact O-N 3.22Å; H853-L960 WeakPolarHBondContact O-CD1 3.2Å | ||
| 854 | N | 45.7 | Very low | 68.4 | Low | 121 Ų | 121 | 38.2 Ų | 38.2 | 65% | 0.647 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -64.7 | 12.2 | 173.9 | -106.6 | -18.1 | 0 | 0 | 0 | 115.4 | A796 L960 | A796-N854 WeakPolarHBondContact CB-OD1 3.37Å; N854-L960 WeakPolarHBondContact O-CD1 3.3Å |
| 855 | S | 45.5 | Very low | 68.2 | Low | 78 Ų | 78 | 38.2 Ų | 38.2 | 55% | 0.545 | 21% | 0.212 | S | C | . | . | trans | -157 | 137.1 | 164.9 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | H853 | H853-S855 PolarHBondContact O-N 3.22Š| ||
| 856 | S | 58.7 | Low | 67.9 | Low | 19 Ų | 19 | 38.2 Ų | 38.2 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | trans | -130 | 146.5 | 168.5 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | I848 L858 | I848-S856 WeakPolarHBondContact O-CB 3.37Å; I848-S856 PolarHBondContact O-OG 3.42Å; S856-L858 PolarHBondContact OG-N 3.5Å | ||
| 857 | D | 71.1 | Confident | 67.3 | Low | 57 Ų | 57 | 39.6 Ų | 39.6 | 31% | 0.305 | 22% | 0.219 | S | C | . | . | trans | -111.6 | 17.2 | 179.1 | -51.8 | -20.6 | 0 | 0 | 0 | 110.5 | K948 L949 | D857-K948 CarbonylContact O-C 3.6Å; D857-K948 WeakPolarHBondContact O-CA 3.32Å; D857-L949 HydrophobicContact CB-CB 4.49Å; D857-L949 PolarHBondContact O-N 2.91Å | ||
| 858 | L | 81.2 | Confident | 67 | Low | 48 Ų | 48 | 40.1 Ų | 40.1 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134 | -172.8 | -61.8 | 177.7 | 0 | 0 | 0 | 112.7 | I848 S856 I946 L947 K948 | I848-L858 HydrophobicContact CD1-CB 4.37Å; I848-L858 HydrophobicContact CG1-CB 3.89Å; I848-L858 PolarHBondContact N-O 3.39Å; S856-L858 PolarHBondContact OG-N 3.5Å; L858-I946 HydrophobicContact CB-CG2 4.47Å; L858-I946 HydrophobicContact CD2-CG2 4.08Å; L858-L947 WeakPolarHBondContact CA-O 3.21Å; L858-K948 HydrophobicContact CD2-CB 4.12Å; L858-K948 HydrophobicContact CD2-CG 4.15Å |
| 859 | I | 84 | Confident | 66.4 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.2 | 175.2 | -59.6 | -75 | 0 | 0 | 0 | 109.1 | A830 I832 S846 L847 V908 V910 I946 L947 L949 | A830-I859 HydrophobicContact CB-CD1 3.81Å; A830-I859 HydrophobicContact CB-CG2 4.49Å; I832-I859 HydrophobicContact CD1-CG2 4.13Å; S846-I859 CarbonylContact O-C 3.53Å; S846-I859 VanDerWaalsContact O-CA 3.26Å; S846-I859 WeakPolarHBondContact O-CA 3.23Å; L847-I859 HydrophobicContact CB-CD1 4.09Å; L847-I859 HydrophobicContact CD1-CD1 3.72Å; I859-V908 HydrophobicContact CD1-CG1 4.34Å; I859-V908 HydrophobicContact CG1-CG1 4.17Å; I859-V910 HydrophobicContact CD1-CG2 4.09Å; I859-I946 CarbonylContact O-C 3.52Å; I859-I946 VanDerWaalsContact O-CA 3.31Å; I859-I946 WeakPolarHBondContact O-CA 3.33Å; I859-L947 HydrophobicContact CB-CB 4.2Å; I859-L947 PolarHBondContact N-O 2.98Å; I859-L947 PolarHBondContact O-N 2.96Å; I859-L949 HydrophobicContact CD1-CD1 4.33Å; I859-L949 HydrophobicContact CG1-CD1 4Å; I859-L949 HydrophobicContact CG1-CD2 4.16Å; I859-L949 HydrophobicContact CG1-CG 4.11Å |
| 860 | L | 83.2 | Confident | 66.3 | Low | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 131.8 | 172.3 | -171.1 | 68.1 | 0 | 0 | 0 | 109.7 | G845 S846 I848 I944 I946 I1031 | G845-L860 CarbonylContact C-O 3.59Å; G845-L860 VanDerWaalsContact CA-O 3.29Å; G845-L860 WeakPolarHBondContact CA-O 3.35Å; S846-L860 PolarHBondContact N-O 3.3Å; S846-L860 PolarHBondContact O-N 3.02Å; I848-L860 HydrophobicContact CD1-CB 3.98Å; I848-L860 HydrophobicContact CG1-CB 4.25Å; I848-L860 HydrophobicContact CG2-CB 3.91Å; L860-I944 HydrophobicContact CD1-CG2 3.63Å; L860-I946 HydrophobicContact CD1-CG1 3.83Å; L860-I1031 HydrophobicContact CD1-CD1 3.96Å; L860-I1031 HydrophobicContact CD2-CD1 3.8Å; L860-I1031 HydrophobicContact CD2-CG1 4.15Å; L860-I1031 HydrophobicContact CG-CD1 3.48Å; L860-I1031 VanDerWaalsContact CG-CD1 3.48Å; L860-I1031 HydrophobicContact CG-CG1 4.28Å |
| 861 | T | 86.6 | Confident | 66.5 | Low | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | -179.1 | -179.5 | -169.7 | 0 | 0 | 0 | 0 | 111.2 | I832 G844 A945 L947 G1015 I1031 | I832-T861 HydrophobicContact CD1-CG2 3.88Å; I832-T861 WeakPolarHBondContact CD1-OG1 3.29Å; G844-T861 PolarHBondContact O-OG1 3.05Å; T861-A945 HydrophobicContact CG2-CB 4.18Å; T861-A945 PolarHBondContact N-O 3.41Å; T861-A945 PolarHBondContact O-N 3.41Å; T861-A945 VanDerWaalsContact O-O 3.11Å; T861-L947 HydrophobicContact CG2-CD1 4.27Å; T861-L947 HydrophobicContact CG2-CD2 4.45Å; T861-L947 HydrophobicContact CG2-CG 4.15Å; T861-G1015 WeakPolarHBondContact OG1-CA 3.27Å; T861-I1031 VanDerWaalsContact O-CD1 3.3Å; T861-I1031 WeakPolarHBondContact O-CD1 3.47Å |
| 862 | A | 78.6 | Confident | 66.3 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -80.5 | 145.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H864 C865 D943 I1031 | A862-H864 VanDerWaalsContact C-N 3.34Å; A862-H864 PolarHBondContact O-N 3.29Å; A862-C865 WeakPolarHBondContact O-CB 3.36Å; A862-C865 PolarHBondContact O-N 2.93Å; A862-D943 WeakPolarHBondContact CA-O 3.2Å; A862-I1031 HydrophobicContact CB-CG2 4.2Å | ||
| 863 | A | 72.8 | Confident | 66.3 | Low | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.017 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -63.6 | -41.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C865 V866 I867 D943 A945 | A863-C865 PolarHBondContact O-N 2.8Å; A863-C865 VanDerWaalsContact O-N 3.08Å; A863-V866 WeakPolarHBondContact O-CG2 3.45Å; A863-V866 PolarHBondContact O-N 2.91Å; A863-I867 WeakPolarHBondContact O-CG1 3.25Å; A863-I867 PolarHBondContact O-N 2.79Å; A863-D943 WeakPolarHBondContact CA-OD1 3.4Å; A863-D943 WeakPolarHBondContact CB-OD1 3.28Å; A863-D943 PolarHBondContact N-O 3.16Å; A863-D943 PolarHBondContact N-OD1 2.98Å; A863-A945 HydrophobicContact CB-CB 4.46Å |
| 864 | H | 73.4 | Confident | 66.5 | Low | 60 Ų | 60 | 49.2 Ų | 49.2 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -61.5 | -19.3 | 179.8 | 78.2 | -96 | 0 | 0 | 0 | 113.9 | A862 V866 D943 S1014 S1033 | A862-H864 VanDerWaalsContact C-N 3.34Å; A862-H864 PolarHBondContact O-N 3.29Å; H864-V866 PolarHBondContact O-N 3.27Å; H864-D943 IonicContact CE1-OD2 3.68Å; H864-D943 IonicContact CG-OD1 3.03Å; H864-D943 IonicContact CG-OD2 3.71Å; H864-D943 PolarHBondContact N-OD1 3.13Å; H864-D943 IonicContact ND1-OD1 2.63Å; H864-D943 PolarHBondContact ND1-OD1 3.34Å; H864-D943 IonicContact ND1-OD2 3.34Å; H864-D943 PolarHBondContact ND1-OD2 2.79Å; H864-S1014 WeakPolarHBondContact NE2-CB 3.31Å; H864-S1014 PolarHBondContact NE2-OG 2.89Å; H864-S1033 PolarHBondContact CE1-O 2.86Å |
| 865 | C | 79.3 | Confident | 66.4 | Low | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -67.2 | -23.6 | 174.4 | -73.1 | 0 | 0 | 0 | 0 | 112.9 | V834 C843 A862 A863 | V834-C865 WeakPolarHBondContact CG2-O 3.49Å; C843-C865 HydrophobicContact CB-CB 3.7Å; C843-C865 WeakPolarHBondContact CB-SG 3.43Å; C843-C865 WeakPolarHBondContact SG-CB 3.32Å; C843-C865 CovalentContact SG-SG 2.04Å; C843-C865 PolarHBondContact SG-SG 2.94Å; A862-C865 WeakPolarHBondContact O-CB 3.36Å; A862-C865 PolarHBondContact O-N 2.93Å; A863-C865 PolarHBondContact O-N 2.8Å; A863-C865 VanDerWaalsContact O-N 3.08Å |
| 866 | V | 79 | Confident | 66.1 | Low | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -121.9 | 13.6 | -174.8 | -65.4 | 0 | 0 | 0 | 0 | 114.1 | A863 H864 L900 V901 I930 A945 L947 | A863-V866 WeakPolarHBondContact O-CG2 3.45Å; A863-V866 PolarHBondContact O-N 2.91Å; H864-V866 PolarHBondContact O-N 3.27Å; V866-L900 WeakPolarHBondContact O-CA 3.37Å; V866-V901 HydrophobicContact CB-CG2 3.99Å; V866-V901 HydrophobicContact CG1-CG2 4.43Å; V866-V901 VanDerWaalsContact O-CG2 3.26Å; V866-V901 WeakPolarHBondContact O-CG2 3.23Å; V866-V901 PolarHBondContact O-N 3.22Å; V866-V901 VanDerWaalsContact O-N 3.07Å; V866-I930 HydrophobicContact CB-CD1 4.49Å; V866-I930 HydrophobicContact CB-CG2 4.01Å; V866-I930 HydrophobicContact CG1-CD1 4.49Å; V866-I930 HydrophobicContact CG1-CG2 4.4Å; V866-I930 HydrophobicContact CG2-CG2 3.73Å; V866-A945 HydrophobicContact CG2-CB 3.7Å; V866-L947 HydrophobicContact CG1-CD2 3.87Å |
| 867 | I | 72.1 | Confident | 65.2 | Low | 32 Ų | 32 | 50 Ų | 50 | 16% | 0.164 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -87.8 | 130.7 | 172.5 | -68.3 | 171.2 | 0 | 0 | 0 | 109.1 | M836 A863 I869 V898 | M836-I867 WeakPolarHBondContact CE-O 3.38Å; A863-I867 WeakPolarHBondContact O-CG1 3.25Å; A863-I867 PolarHBondContact O-N 2.79Å; I867-I869 PolarHBondContact O-N 2.52Å; I867-V898 HydrophobicContact CD1-CG1 3.96Å; I867-V898 HydrophobicContact CG1-CG1 3.87Å; I867-V898 HydrophobicContact CG2-CG1 3.94Å |
| 868 | D | 71.1 | Confident | 63.5 | Low | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.144 | 28% | 0.283 | C | S | . | . | trans | -76.7 | 91 | 172.3 | -177 | -13.8 | 0 | 0 | 0 | 109.4 | D870 Q871 F872 P899 V901 | D868-D870 PolarHBondContact O-N 2.73Å; D868-D870 PolarHBondContact OD1-N 2.87Å; D868-D870 VanDerWaalsContact OD1-N 3.09Å; D868-Q871 HydrophobicContact CB-CB 4.24Å; D868-Q871 PolarHBondContact O-N 2.82Å; D868-Q871 PolarHBondContact OD1-N 2.84Å; D868-F872 PolarHBondContact O-N 3.05Å; D868-F872 VanDerWaalsContact O-N 3.12Å; D868-P899 HydrophobicContact CB-CB 4.45Å; D868-P899 PolarHBondContact N-O 3.23Å; D868-V901 HydrophobicContact CB-CG1 4.18Å | ||
| 869 | I | 56.8 | Low | 61.3 | Low | 73 Ų | 73 | 61.9 Ų | 61.9 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -29.7 | -178.8 | -63.2 | 172.2 | 0 | 0 | 0 | 111.3 | I867 F872 R873 | I867-I869 PolarHBondContact O-N 2.52Å; I869-F872 CarbonylContact O-C 3.56Å; I869-F872 WeakPolarHBondContact O-CB 3.35Å; I869-F872 PolarHBondContact O-N 3.12Å; I869-R873 HydrophobicContact CG2-CG 4.4Å; I869-R873 WeakPolarHBondContact O-CB 3.46Å; I869-R873 WeakPolarHBondContact O-CG 3.49Å; I869-R873 PolarHBondContact O-N 2.97Å |
| 870 | D | 59.2 | Low | 59 | Low | 48 Ų | 48 | 68.9 Ų | 68.9 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -75 | -39 | -178.8 | -89.4 | -10.3 | 0 | 0 | 0 | 111.9 | N837 D868 F872 R873 K874 | N837-D870 PolarHBondContact ND2-OD2 2.83Å; D868-D870 PolarHBondContact O-N 2.73Å; D868-D870 PolarHBondContact OD1-N 2.87Å; D868-D870 VanDerWaalsContact OD1-N 3.09Å; D870-F872 VanDerWaalsContact C-N 3.27Å; D870-F872 PolarHBondContact O-N 3.13Å; D870-R873 PolarHBondContact O-N 2.79Å; D870-R873 IonicContact OD1-NH1 2.9Å; D870-R873 PolarHBondContact OD1-NH1 3.48Å; D870-K874 PolarHBondContact O-N 3.3Å |
| 871 | Q | 56.5 | Low | 56.6 | Low | 115 Ų | 115 | 72.5 Ų | 72.5 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 168.2 | -111.7 | -174.5 | 43.8 | 0 | 0 | 111.2 | D868 K874 S875 P899 | D868-Q871 HydrophobicContact CB-CB 4.24Å; D868-Q871 PolarHBondContact O-N 2.82Å; D868-Q871 PolarHBondContact OD1-N 2.84Å; Q871-K874 PolarHBondContact O-N 3.03Å; Q871-S875 PolarHBondContact O-N 3.37Å; Q871-P899 HydrophobicContact CB-CB 3.88Å; Q871-P899 HydrophobicContact CB-CG 4.03Å |
| 872 | F | 48 | Very low | 54.2 | Low | 54 Ų | 54 | 74.8 Ų | 74.8 | 24% | 0.237 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175 | -148.4 | -93.7 | 0 | 0 | 0 | 111.4 | D868 I869 D870 S875 T876 V886 P899 | D868-F872 PolarHBondContact O-N 3.05Å; D868-F872 VanDerWaalsContact O-N 3.12Å; I869-F872 CarbonylContact O-C 3.56Å; I869-F872 WeakPolarHBondContact O-CB 3.35Å; I869-F872 PolarHBondContact O-N 3.12Å; D870-F872 VanDerWaalsContact C-N 3.27Å; D870-F872 PolarHBondContact O-N 3.13Å; F872-S875 PolarHBondContact O-N 3.35Å; F872-S875 VanDerWaalsContact O-N 3.16Å; F872-S875 PolarHBondContact O-OG 3.09Å; F872-T876 PolarHBondContact O-OG1 3.31Å; F872-V886 HydrophobicContact CE1-CG2 4.43Å; F872-P899 HydrophobicContact CB-CG 4.46Å; F872-P899 HydrophobicContact CD2-CG 4.02Å |
| 873 | R | 44.7 | Very low | 52.1 | Low | 108 Ų | 108 | 84.4 Ų | 84.4 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 174.3 | -81.3 | 175.3 | 172.6 | 165.3 | -0.9 | 113 | I869 D870 S875 T876 F879 | I869-R873 HydrophobicContact CG2-CG 4.4Å; I869-R873 WeakPolarHBondContact O-CB 3.46Å; I869-R873 WeakPolarHBondContact O-CG 3.49Å; I869-R873 PolarHBondContact O-N 2.97Å; D870-R873 PolarHBondContact O-N 2.79Å; D870-R873 IonicContact OD1-NH1 2.9Å; D870-R873 PolarHBondContact OD1-NH1 3.48Å; R873-S875 PolarHBondContact O-N 3.42Å; R873-T876 CarbonylContact O-C 3.44Å; R873-T876 PolarHBondContact O-N 2.83Å; R873-T876 VanDerWaalsContact O-N 3.14Å; R873-F879 VanDerWaalsContact NH2-CE2 3.32Å |
| 874 | K | 48 | Very low | 50.2 | Low | 183 Ų | 183 | 90.5 Ų | 90.5 | 80% | 0.796 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.5 | -23.6 | 177 | -76.3 | -178.7 | -178.4 | 175.4 | 0 | 112.5 | D870 Q871 | D870-K874 PolarHBondContact O-N 3.3Å; Q871-K874 PolarHBondContact O-N 3.03Å |
| 875 | S | 45.4 | Very low | 48.2 | Very low | 86 Ų | 86 | 89.8 Ų | 89.8 | 60% | 0.601 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -10.5 | 175.7 | 77.9 | 0 | 0 | 0 | 0 | 114.5 | Q871 F872 R873 | Q871-S875 PolarHBondContact O-N 3.37Å; F872-S875 PolarHBondContact O-N 3.35Å; F872-S875 VanDerWaalsContact O-N 3.16Å; F872-S875 PolarHBondContact O-OG 3.09Å; R873-S875 PolarHBondContact O-N 3.42Å |
| 876 | T | 37.8 | Very low | 46.2 | Very low | 30 Ų | 30 | 92.7 Ų | 92.7 | 18% | 0.184 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -139.5 | 117.2 | -176.6 | 60.1 | 0 | 0 | 0 | 0 | 112.5 | F872 R873 L889 | F872-T876 PolarHBondContact O-OG1 3.31Å; R873-T876 CarbonylContact O-C 3.44Å; R873-T876 PolarHBondContact O-N 2.83Å; R873-T876 VanDerWaalsContact O-N 3.14Å; T876-L889 HydrophobicContact CG2-CD1 3.92Å |
| 877 | S | 39.9 | Very low | 44 | Very low | 119 Ų | 119 | 96.4 Ų | 96.4 | 83% | 0.832 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -74.9 | 124.6 | 177.5 | 47 | 0 | 0 | 0 | 0 | 111.6 | ||
| 878 | R | 35.7 | Very low | 42 | Very low | 213 Ų | 213 | 102.2 Ų | 102.2 | 80% | 0.804 | 49% | 0.488 | S | S | * | . | trans | 87.9 | 130.9 | 177.9 | -78.1 | 178.1 | 161.2 | 173.6 | -5.6 | 118 | ||||
| 879 | F | 35.3 | Very low | 40.1 | Very low | 141 Ų | 141 | 105 Ų | 105 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -74.2 | -30.8 | -171.6 | -154.4 | -91.5 | 0 | 0 | 0 | 113.7 | R873 E881 L882 | R873-F879 VanDerWaalsContact NH2-CE2 3.32Å; F879-E881 PolarHBondContact O-N 2.81Å; F879-L882 WeakPolarHBondContact O-CB 3.41Å; F879-L882 PolarHBondContact O-N 3.34Å |
| 880 | D | 36 | Very low | 39.1 | Very low | 147 Ų | 147 | 106 Ų | 106 | 79% | 0.786 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -68.1 | -21.1 | -173 | -62.7 | -39.9 | 0 | 0 | 0 | 113.4 | ||
| 881 | E | 32.3 | Very low | 37.9 | Very low | 83 Ų | 83 | 112.3 Ų | 112.3 | 39% | 0.388 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -93.8 | -6.1 | 174.4 | -72.4 | -174 | 143 | 0 | 0 | 113.3 | F879 K883 F884 H885 | F879-E881 PolarHBondContact O-N 2.81Å; E881-K883 VanDerWaalsContact C-N 3.25Å; E881-K883 PolarHBondContact O-N 3.12Å; E881-F884 CarbonylContact O-C 3.53Å; E881-F884 WeakPolarHBondContact O-CA 3.42Å; E881-F884 PolarHBondContact O-N 3.35Å; E881-H885 HydrophobicContact CB-CB 4.11Å; E881-H885 VanDerWaalsContact CB-ND1 3.28Å; E881-H885 WeakPolarHBondContact CB-ND1 3.38Å; E881-H885 WeakPolarHBondContact O-CA 3.15Å; E881-H885 WeakPolarHBondContact O-CB 2.91Å; E881-H885 PolarHBondContact O-N 3.24Å; E881-H885 IonicContact OE2-CE1 3.8Å; E881-H885 PolarHBondContact OE2-CE1 2.88Å; E881-H885 IonicContact OE2-ND1 3.83Å; E881-H885 PolarHBondContact OE2-ND1 3.05Å |
| 882 | L | 35.9 | Very low | 36.7 | Very low | 48 Ų | 48 | 117.4 Ų | 117.4 | 25% | 0.251 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -55 | -38 | -173.9 | -160 | 78.2 | 0 | 0 | 0 | 113.6 | F879 V886 | F879-L882 WeakPolarHBondContact O-CB 3.41Å; F879-L882 PolarHBondContact O-N 3.34Å; L882-V886 WeakPolarHBondContact O-CG2 3.37Å |
| 883 | K | 34 | Very low | 35.9 | Very low | 201 Ų | 201 | 120.4 Ų | 120.4 | 87% | 0.874 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.5 | -25.9 | 175.4 | -118.8 | 178.7 | -177.6 | 177.5 | 0 | 113.7 | E881 | E881-K883 VanDerWaalsContact C-N 3.25Å; E881-K883 PolarHBondContact O-N 3.12Å |
| 884 | F | 33.6 | Very low | 35.4 | Very low | 131 Ų | 131 | 122 Ų | 122 | 58% | 0.575 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -99.7 | -20.9 | -178.8 | -149.3 | -90.1 | 0 | 0 | 0 | 112.9 | E881 N887 R888 | E881-F884 CarbonylContact O-C 3.53Å; E881-F884 WeakPolarHBondContact O-CA 3.42Å; E881-F884 PolarHBondContact O-N 3.35Å; F884-N887 WeakPolarHBondContact O-CA 3.45Å; F884-N887 VanDerWaalsContact O-CB 3.31Å; F884-N887 WeakPolarHBondContact O-CB 3.32Å; F884-N887 PolarHBondContact O-N 2.86Å; F884-R888 PolarHBondContact O-N 3.31Å |
| 885 | H | 31.4 | Very low | 34.8 | Very low | 45 Ų | 45 | 122.7 Ų | 122.7 | 21% | 0.208 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -90.1 | -27 | -174 | -117.3 | 108.1 | 0 | 0 | 0 | 112.2 | E881 N887 R888 L889 | E881-H885 HydrophobicContact CB-CB 4.11Å; E881-H885 VanDerWaalsContact CB-ND1 3.28Å; E881-H885 WeakPolarHBondContact CB-ND1 3.38Å; E881-H885 WeakPolarHBondContact O-CA 3.15Å; E881-H885 WeakPolarHBondContact O-CB 2.91Å; E881-H885 PolarHBondContact O-N 3.24Å; E881-H885 IonicContact OE2-CE1 3.8Å; E881-H885 PolarHBondContact OE2-CE1 2.88Å; E881-H885 IonicContact OE2-ND1 3.83Å; E881-H885 PolarHBondContact OE2-ND1 3.05Å; H885-N887 PolarHBondContact O-N 3.07Å; H885-R888 PolarHBondContact O-N 3.43Å; H885-L889 VanDerWaalsContact CD2-CD1 3.43Å; H885-L889 WeakPolarHBondContact CD2-CD1 3.45Å; H885-L889 VanDerWaalsContact CD2-CG 3.49Å; H885-L889 WeakPolarHBondContact CD2-CG 3.36Å; H885-L889 PolarHBondContact O-N 2.91Å |
| 886 | V | 36.9 | Very low | 34.5 | Very low | 62 Ų | 62 | 122.4 Ų | 122.4 | 38% | 0.376 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -53.4 | -37.5 | 159.3 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | F872 L882 I890 | F872-V886 HydrophobicContact CE1-CG2 4.43Å; L882-V886 WeakPolarHBondContact O-CG2 3.37Å; V886-I890 HydrophobicContact CG1-CD1 4.1Å; V886-I890 VanDerWaalsContact O-CD1 3.26Å; V886-I890 WeakPolarHBondContact O-CD1 3.41Å; V886-I890 VanDerWaalsContact O-CG1 3.3Å; V886-I890 WeakPolarHBondContact O-CG1 3.46Å |
| 887 | N | 32.9 | Very low | 34.9 | Very low | 79 Ų | 79 | 124.3 Ų | 124.3 | 42% | 0.422 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -78 | -19.3 | 177.1 | -87.4 | -25.2 | 0 | 0 | 0 | 115.5 | F884 H885 E940 | F884-N887 WeakPolarHBondContact O-CA 3.45Å; F884-N887 VanDerWaalsContact O-CB 3.31Å; F884-N887 WeakPolarHBondContact O-CB 3.32Å; F884-N887 PolarHBondContact O-N 2.86Å; H885-N887 PolarHBondContact O-N 3.07Å; N887-E940 PolarHBondContact ND2-OE1 2.81Å; N887-E940 PolarHBondContact OD1-OE1 2.52Å; N887-E940 VanDerWaalsContact OD1-OE1 3.11Å |
| 888 | R | 31.1 | Very low | 35.6 | Very low | 154 Ų | 154 | 121.8 Ų | 121.8 | 58% | 0.581 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -105.7 | -36.5 | -174.7 | -132.8 | -179.7 | -164.7 | 169.3 | 4.3 | 114.9 | F884 H885 K891 | F884-R888 PolarHBondContact O-N 3.31Å; H885-R888 PolarHBondContact O-N 3.43Å; R888-K891 PolarHBondContact O-N 2.91Å |
| 889 | L | 30.7 | Very low | 37 | Very low | 85 Ų | 85 | 112.8 Ų | 112.8 | 45% | 0.445 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -83 | -23.1 | -178.5 | -85.4 | 167.4 | 0 | 0 | 0 | 113.9 | T876 H885 K891 R892 | T876-L889 HydrophobicContact CG2-CD1 3.92Å; H885-L889 VanDerWaalsContact CD2-CD1 3.43Å; H885-L889 WeakPolarHBondContact CD2-CD1 3.45Å; H885-L889 VanDerWaalsContact CD2-CG 3.49Å; H885-L889 WeakPolarHBondContact CD2-CG 3.36Å; H885-L889 PolarHBondContact O-N 2.91Å; L889-K891 PolarHBondContact O-N 3.46Å; L889-R892 PolarHBondContact O-N 3.19Å |
| 890 | I | 35.6 | Very low | 38.7 | Very low | 95 Ų | 95 | 108.8 Ų | 108.8 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.4 | -18.5 | 170.6 | -63.3 | 178.4 | 0 | 0 | 0 | 111.4 | V886 F935 | V886-I890 HydrophobicContact CG1-CD1 4.1Å; V886-I890 VanDerWaalsContact O-CD1 3.26Å; V886-I890 WeakPolarHBondContact O-CD1 3.41Å; V886-I890 VanDerWaalsContact O-CG1 3.3Å; V886-I890 WeakPolarHBondContact O-CG1 3.46Å; I890-F935 HydrophobicContact CD1-CD1 4.03Å; I890-F935 HydrophobicContact CD1-CE1 4.35Å |
| 891 | K | 34 | Very low | 40.9 | Very low | 180 Ų | 180 | 102.1 Ų | 102.1 | 78% | 0.783 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.8 | 172.5 | -79.2 | -171.4 | 176 | -178.7 | 0 | 115.2 | R888 L889 | R888-K891 PolarHBondContact O-N 2.91Å; L889-K891 PolarHBondContact O-N 3.46Å |
| 892 | R | 31.7 | Very low | 43.3 | Very low | 221 Ų | 221 | 104 Ų | 104 | 83% | 0.834 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | -13 | -162.9 | -134 | 178.3 | 169.8 | 165.8 | -2.7 | 118.2 | L889 | L889-R892 PolarHBondContact O-N 3.19Š|
| 893 | D | 31.1 | Very low | 45.4 | Very low | 117 Ų | 117 | 103.9 Ų | 103.9 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | trans | -137.4 | 90 | 179.8 | -122.5 | -28.8 | 0 | 0 | 0 | 113.8 | K895 | D893-K895 PolarHBondContact O-N 2.92Š| ||
| 894 | T | 32.9 | Very low | 47.7 | Very low | 143 Ų | 143 | 100.8 Ų | 100.8 | 88% | 0.877 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 11.2 | 177.1 | 37.6 | 0 | 0 | 0 | 0 | 115 | ||
| 895 | K | 35.8 | Very low | 50.2 | Low | 197 Ų | 197 | 97 Ų | 97 | 86% | 0.857 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | -12.9 | -175.9 | -77.8 | -173.8 | 176.7 | 179.1 | 0 | 116.1 | D893 G897 | D893-K895 PolarHBondContact O-N 2.92Å; K895-G897 PolarHBondContact O-N 3.41Å |
| 896 | A | 40.1 | Very low | 52.8 | Low | 79 Ų | 79 | 95 Ų | 95 | 65% | 0.653 | 49% | 0.492 | S | S | * | . | trans | -87.9 | 109.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 897 | G | 46 | Very low | 55.1 | Low | 71 Ų | 71 | 94.3 Ų | 94.3 | 73% | 0.732 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 145.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K895 | K895-G897 PolarHBondContact O-N 3.41Š|
| 898 | V | 54.9 | Low | 57.5 | Low | 65 Ų | 65 | 90.6 Ų | 90.6 | 39% | 0.394 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 126.4 | 173.5 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | I867 L900 | I867-V898 HydrophobicContact CD1-CG1 3.96Å; I867-V898 HydrophobicContact CG1-CG1 3.87Å; I867-V898 HydrophobicContact CG2-CG1 3.94Å; V898-L900 PolarHBondContact O-N 2.76Å |
| 899 | P | 65 | Low | 59.9 | Low | 25 Ų | 25 | 85.5 Ų | 85.5 | 16% | 0.162 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 119.5 | 178.4 | 26.7 | -32.8 | 0 | 0 | 0 | 110.2 | D868 Q871 F872 | D868-P899 HydrophobicContact CB-CB 4.45Å; D868-P899 PolarHBondContact N-O 3.23Å; Q871-P899 HydrophobicContact CB-CB 3.88Å; Q871-P899 HydrophobicContact CB-CG 4.03Å; F872-P899 HydrophobicContact CB-CG 4.46Å; F872-P899 HydrophobicContact CD2-CG 4.02Å |
| 900 | L | 71.5 | Confident | 61.9 | Low | 56 Ų | 56 | 83.3 Ų | 83.3 | 29% | 0.293 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -96.6 | 149.2 | 175.1 | -59.2 | 171.7 | 0 | 0 | 0 | 109.7 | V866 V898 I930 P932 | V866-L900 WeakPolarHBondContact O-CA 3.37Å; V898-L900 PolarHBondContact O-N 2.76Å; L900-I930 HydrophobicContact CD1-CG2 4.29Å; L900-P932 HydrophobicContact CD1-CG 3.77Å; L900-P932 HydrophobicContact CD2-CB 3.95Å; L900-P932 HydrophobicContact CD2-CG 4.02Å; L900-P932 HydrophobicContact CG-CG 4.4Å |
| 901 | V | 80.5 | Confident | 63.2 | Low | 8 Ų | 8 | 80.2 Ų | 80.2 | 5% | 0.048 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 153 | 163.4 | -80.3 | 0 | 0 | 0 | 0 | 110.5 | V834 M836 V866 D868 V906 I930 | V834-V901 HydrophobicContact CG1-CB 4.09Å; V834-V901 HydrophobicContact CG1-CG1 3.75Å; V834-V901 HydrophobicContact CG1-CG2 3.7Å; M836-V901 HydrophobicContact CE-CG1 3.88Å; M836-V901 HydrophobicContact CG-CG1 3.92Å; M836-V901 HydrophobicContact SD-CG1 4.45Å; V866-V901 HydrophobicContact CB-CG2 3.99Å; V866-V901 HydrophobicContact CG1-CG2 4.43Å; V866-V901 VanDerWaalsContact O-CG2 3.26Å; V866-V901 WeakPolarHBondContact O-CG2 3.23Å; V866-V901 PolarHBondContact O-N 3.22Å; V866-V901 VanDerWaalsContact O-N 3.07Å; D868-V901 HydrophobicContact CB-CG1 4.18Å; V901-V906 HydrophobicContact CG2-CG2 3.73Å; V901-I930 HydrophobicContact CG2-CD1 4.31Å; V901-I930 WeakPolarHBondContact O-CD1 3.46Å |
| 902 | K | 82.9 | Confident | 64.3 | Low | 121 Ų | 121 | 72.6 Ų | 72.6 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 145.9 | 177.3 | -58.5 | -179.9 | -177.9 | 173.5 | 0 | 109.9 | E904 D905 | K902-E904 HydrophobicContact CB-CG 3.82Å; K902-E904 HydrophobicContact CD-CG 4.28Å; K902-E904 WeakPolarHBondContact CD-OE1 3.41Å; K902-E904 IonicContact NZ-OE1 2.77Å; K902-E904 PolarHBondContact O-N 3.1Å; K902-E904 VanDerWaalsContact O-N 3.11Å; K902-D905 PolarHBondContact O-N 3.4Å |
| 903 | P | 81.5 | Confident | 65.4 | Low | 47 Ų | 47 | 65.6 Ų | 65.6 | 31% | 0.305 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -54.1 | -31.4 | 176.8 | -26.7 | 34 | 0 | 0 | 0 | 114.4 | D905 V906 V927 I930 | P903-D905 VanDerWaalsContact C-N 3.29Å; P903-D905 PolarHBondContact O-N 2.89Å; P903-V906 PolarHBondContact O-N 3.06Å; P903-V927 HydrophobicContact CB-CB 4.45Å; P903-V927 HydrophobicContact CB-CG1 4.24Å; P903-V927 VanDerWaalsContact CB-O 3.29Å; P903-V927 WeakPolarHBondContact CB-O 3.3Å; P903-I930 HydrophobicContact CG-CD1 4.41Å; P903-I930 HydrophobicContact CG-CG1 4.27Å |
| 904 | E | 82 | Confident | 66.6 | Low | 136 Ų | 136 | 62.3 Ų | 62.3 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -69.5 | -21.4 | 178 | 60.7 | -162.3 | -172.7 | 0 | 0 | 114.3 | K902 V906 | K902-E904 HydrophobicContact CB-CG 3.82Å; K902-E904 HydrophobicContact CD-CG 4.28Å; K902-E904 WeakPolarHBondContact CD-OE1 3.41Å; K902-E904 IonicContact NZ-OE1 2.77Å; K902-E904 PolarHBondContact O-N 3.1Å; K902-E904 VanDerWaalsContact O-N 3.11Å; E904-V906 VanDerWaalsContact C-N 3.33Å |
| 905 | D | 85.5 | Confident | 67.7 | Low | 51 Ų | 51 | 58.5 Ų | 58.5 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -90.6 | 0.7 | 176.9 | -61.3 | -44.8 | 0 | 0 | 0 | 112.3 | V834 N835 K902 P903 | V834-D905 WeakPolarHBondContact CA-O 3.47Å; N835-D905 HydrophobicContact CB-CB 4.48Å; N835-D905 PolarHBondContact N-O 2.8Å; K902-D905 PolarHBondContact O-N 3.4Å; P903-D905 VanDerWaalsContact C-N 3.29Å; P903-D905 PolarHBondContact O-N 2.89Å |
| 906 | V | 85.8 | Confident | 68.5 | Low | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.7 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 110 | I832 Y833 V834 V901 P903 E904 V908 V927 I930 L947 | I832-V906 HydrophobicContact CG2-CG1 3.58Å; Y833-V906 WeakPolarHBondContact O-CA 3.21Å; V834-V906 HydrophobicContact CG1-CG2 4.32Å; V834-V906 HydrophobicContact CG2-CG1 4.29Å; V834-V906 HydrophobicContact CG2-CG2 4.2Å; V901-V906 HydrophobicContact CG2-CG2 3.73Å; P903-V906 PolarHBondContact O-N 3.06Å; E904-V906 VanDerWaalsContact C-N 3.33Å; V906-V908 HydrophobicContact CG1-CG2 4.3Å; V906-V927 HydrophobicContact CB-CB 4.33Å; V906-V927 HydrophobicContact CB-CG2 4.09Å; V906-V927 HydrophobicContact CG1-CG2 3.81Å; V906-V927 WeakPolarHBondContact O-CG2 3.21Å; V906-I930 HydrophobicContact CG2-CD1 3.76Å; V906-L947 HydrophobicContact CG1-CD1 4Å |
| 907 | H | 85.1 | Confident | 69 | Low | 49 Ų | 49 | 60.2 Ų | 60.2 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.3 | -178.2 | -52.7 | -88.8 | 0 | 0 | 0 | 110.2 | I832 Y833 Y909 E924 | I832-H907 WeakPolarHBondContact CA-O 3.42Å; Y833-H907 PolarHBondContact N-O 2.82Å; Y833-H907 PolarHBondContact O-N 3.3Å; H907-Y909 HydrophobicContact CB-CE2 4.22Å; H907-E924 HydrophobicContact CB-CG 4.18Å; H907-E924 IonicContact CE1-OE1 3.5Å; H907-E924 IonicContact CG-OE1 3.92Å; H907-E924 IonicContact ND1-OE1 3.37Å; H907-E924 PolarHBondContact ND1-OE1 2.75Å; H907-E924 IonicContact ND1-OE2 3.69Å |
| 908 | V | 84.5 | Confident | 69.2 | Low | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.1 | -175.5 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | A830 V831 I832 I859 V906 V910 Y925 V927 L947 L949 | A830-V908 HydrophobicContact CB-CG1 4.29Å; V831-V908 WeakPolarHBondContact O-CA 3.4Å; I832-V908 HydrophobicContact CG1-CG2 4.26Å; I832-V908 HydrophobicContact CG2-CG2 4.36Å; I859-V908 HydrophobicContact CD1-CG1 4.34Å; I859-V908 HydrophobicContact CG1-CG1 4.17Å; V906-V908 HydrophobicContact CG1-CG2 4.3Å; V908-V910 HydrophobicContact CG1-CG2 4.32Å; V908-Y925 PolarHBondContact O-N 3.35Å; V908-V927 HydrophobicContact CB-CG2 4.47Å; V908-V927 HydrophobicContact CG2-CG2 3.47Å; V908-V927 VanDerWaalsContact CG2-CG2 3.47Å; V908-L947 HydrophobicContact CG2-CD1 4.01Å; V908-L949 HydrophobicContact CB-CD2 3.87Å; V908-L949 HydrophobicContact CG1-CD2 4.04Å; V908-L949 HydrophobicContact CG2-CD2 4.07Å |
| 909 | Y | 80.9 | Confident | 68.8 | Low | 47 Ų | 47 | 63.2 Ų | 63.2 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.3 | 175.2 | -61 | -94.1 | 0 | 0 | 0 | 109.9 | A830 V831 Y833 H907 V918 E924 | A830-Y909 CarbonylContact C-O 3.58Å; A830-Y909 VanDerWaalsContact CA-O 3.29Å; A830-Y909 WeakPolarHBondContact CA-O 3.03Å; V831-Y909 PolarHBondContact N-O 2.91Å; V831-Y909 PolarHBondContact O-N 2.87Å; Y833-Y909 AromaticContact CD2-CD2 3.73Å; Y833-Y909 HydrophobicContact CD2-CD2 3.73Å; Y833-Y909 AromaticContact CD2-CE2 3.63Å; Y833-Y909 HydrophobicContact CD2-CE2 3.63Å; Y833-Y909 AromaticContact CE2-CD2 3.84Å; Y833-Y909 HydrophobicContact CE2-CD2 3.84Å; Y833-Y909 AromaticContact CE2-CE2 3.89Å; Y833-Y909 HydrophobicContact CE2-CE2 3.89Å; H907-Y909 HydrophobicContact CB-CE2 4.22Å; Y909-V918 HydrophobicContact CD1-CG1 3.52Å; Y909-V918 HydrophobicContact CD2-CG1 4.18Å; Y909-V918 HydrophobicContact CE1-CG1 3.83Å; Y909-V918 HydrophobicContact CE2-CG1 4.47Å; Y909-V918 HydrophobicContact CG-CG1 3.7Å; Y909-E924 HydrophobicContact CD1-CB 4.38Å; Y909-E924 HydrophobicContact CE1-CB 3.68Å; Y909-E924 HydrophobicContact CE1-CG 4.21Å; Y909-E924 HydrophobicContact CE2-CG 4.28Å |
| 910 | V | 72.1 | Confident | 67.9 | Low | 40 Ų | 40 | 72.9 Ų | 72.9 | 24% | 0.242 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 140 | -177.8 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | A830 L847 I859 V908 A912 Y925 L949 | A830-V910 HydrophobicContact CB-CG2 4.39Å; L847-V910 HydrophobicContact CB-CG1 4.44Å; L847-V910 HydrophobicContact CD2-CG1 4.29Å; I859-V910 HydrophobicContact CD1-CG2 4.09Å; V908-V910 HydrophobicContact CG1-CG2 4.32Å; V910-A912 VanDerWaalsContact C-N 3.27Å; V910-A912 PolarHBondContact O-N 3.47Å; V910-Y925 HydrophobicContact CB-CE2 4.12Å; V910-Y925 HydrophobicContact CG2-CD2 4.05Å; V910-Y925 HydrophobicContact CG2-CE2 4.03Å; V910-L949 HydrophobicContact CG2-CD1 4.24Å |
| 911 | G | 63.2 | Low | 66.6 | Low | 30 Ų | 30 | 74.5 Ų | 74.5 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 76.5 | 12 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q829 H913 | Q829-G911 PolarHBondContact O-N 2.96Å; G911-H913 PolarHBondContact O-N 2.72Å |
| 912 | A | 57.6 | Low | 65.1 | Low | 19 Ų | 19 | 84.9 Ų | 84.9 | 16% | 0.157 | 40% | 0.399 | C | S | . | . | trans | -74.4 | 109.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V831 V910 V918 | V831-A912 HydrophobicContact CB-CB 4.3Å; V831-A912 HydrophobicContact CG2-CB 3.8Å; V910-A912 VanDerWaalsContact C-N 3.27Å; V910-A912 PolarHBondContact O-N 3.47Å; A912-V918 HydrophobicContact CB-CG2 3.63Å | ||
| 913 | H | 55.2 | Low | 64.1 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | trans | -99.4 | -17.6 | 177.8 | 57.1 | -83.9 | 0 | 0 | 0 | 113 | G911 | G911-H913 PolarHBondContact O-N 2.72Š| ||
| 914 | N | 56.2 | Low | 63.6 | Low | 47 Ų | 47 | 84.6 Ų | 84.6 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | trans | -144 | 106.5 | -179.5 | -171.3 | -34.7 | 0 | 0 | 0 | 111.2 | E820 K916 K917 V918 | E820-N914 PolarHBondContact OE1-ND2 2.78Å; N914-K916 PolarHBondContact O-N 3.01Å; N914-K916 WeakPolarHBondContact OD1-CB 3.45Å; N914-K916 PolarHBondContact OD1-N 3.23Å; N914-K917 HydrophobicContact CB-CB 4.39Å; N914-K917 PolarHBondContact O-N 2.84Å; N914-V918 PolarHBondContact O-N 3.45Å | ||
| 915 | I | 54.6 | Low | 63.2 | Low | 64 Ų | 64 | 80 Ų | 80 | 33% | 0.328 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -51 | -39.3 | 179.9 | -82.1 | 163.5 | 0 | 0 | 0 | 112.8 | V831 L842 K917 V918 | V831-I915 HydrophobicContact CG1-CG1 4.46Å; L842-I915 HydrophobicContact CD1-CD1 3.75Å; L842-I915 HydrophobicContact CD1-CG1 4.43Å; L842-I915 HydrophobicContact CD2-CD1 3.35Å; L842-I915 HydrophobicContact CG-CD1 4.15Å; I915-K917 PolarHBondContact O-N 2.82Å; I915-V918 PolarHBondContact O-N 2.76Å |
| 916 | K | 54 | Low | 63 | Low | 186 Ų | 186 | 79.5 Ų | 79.5 | 81% | 0.809 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.7 | -19.7 | 179.3 | -69.1 | -172.5 | 175.4 | -176.8 | 0 | 113.3 | N914 | N914-K916 PolarHBondContact O-N 3.01Å; N914-K916 WeakPolarHBondContact OD1-CB 3.45Å; N914-K916 PolarHBondContact OD1-N 3.23Å |
| 917 | K | 49.4 | Very low | 62.8 | Low | 125 Ų | 125 | 79.9 Ų | 79.9 | 54% | 0.543 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -96.9 | -18.2 | 175.7 | -80.7 | -174.2 | 176.2 | 179.4 | 0 | 113.5 | N914 I915 E919 R920 T921 | N914-K917 HydrophobicContact CB-CB 4.39Å; N914-K917 PolarHBondContact O-N 2.84Å; I915-K917 PolarHBondContact O-N 2.82Å; K917-E919 VanDerWaalsContact C-N 3.25Å; K917-E919 PolarHBondContact O-N 2.93Å; K917-R920 PolarHBondContact O-N 2.91Å; K917-T921 PolarHBondContact O-N 2.89Å; K917-T921 VanDerWaalsContact O-N 3.14Å; K917-T921 PolarHBondContact O-OG1 3.14Å |
| 918 | V | 50.4 | Low | 62.6 | Low | 17 Ų | 17 | 81.3 Ų | 81.3 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | Y909 A912 N914 I915 R920 T921 | Y909-V918 HydrophobicContact CD1-CG1 3.52Å; Y909-V918 HydrophobicContact CD2-CG1 4.18Å; Y909-V918 HydrophobicContact CE1-CG1 3.83Å; Y909-V918 HydrophobicContact CE2-CG1 4.47Å; Y909-V918 HydrophobicContact CG-CG1 3.7Å; A912-V918 HydrophobicContact CB-CG2 3.63Å; N914-V918 PolarHBondContact O-N 3.45Å; I915-V918 PolarHBondContact O-N 2.76Å; V918-R920 PolarHBondContact O-N 3.21Å; V918-R920 VanDerWaalsContact O-N 3.09Å; V918-T921 PolarHBondContact O-N 2.84Å |
| 919 | E | 46.5 | Very low | 62.4 | Low | 182 Ų | 182 | 85.3 Ų | 85.3 | 85% | 0.85 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.3 | 177.2 | -73.7 | -174.9 | 163.4 | 0 | 0 | 114.3 | K917 | K917-E919 VanDerWaalsContact C-N 3.25Å; K917-E919 PolarHBondContact O-N 2.93Å |
| 920 | R | 46.2 | Very low | 62.3 | Low | 228 Ų | 228 | 83.8 Ų | 83.8 | 86% | 0.86 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -14.8 | -179 | -71.3 | -173.7 | 178.6 | 174.8 | -0.1 | 114.1 | K917 V918 | K917-R920 PolarHBondContact O-N 2.91Å; V918-R920 PolarHBondContact O-N 3.21Å; V918-R920 VanDerWaalsContact O-N 3.09Å |
| 921 | T | 45.6 | Very low | 62.4 | Low | 90 Ų | 90 | 83.4 Ų | 83.4 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -137.9 | 86.4 | -168 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | K917 V918 | K917-T921 PolarHBondContact O-N 2.89Å; K917-T921 VanDerWaalsContact O-N 3.14Å; K917-T921 PolarHBondContact O-OG1 3.14Å; V918-T921 PolarHBondContact O-N 2.84Å |
| 922 | R | 49.1 | Very low | 62.4 | Low | 226 Ų | 226 | 84.3 Ų | 84.3 | 85% | 0.853 | 40% | 0.399 | S | S | * | . | trans | 69.5 | 144.2 | 152 | -63.5 | -173.2 | 176.8 | 178.1 | 0.9 | 120.5 | ||||
| 923 | Q | 60.3 | Low | 62.4 | Low | 84 Ų | 84 | 84 Ų | 84 | 39% | 0.393 | 40% | 0.397 | S | S | . | . | trans | 52.9 | 78.8 | 147.8 | -148.5 | 158.6 | 3.5 | 0 | 0 | 119.2 | Y925 I955 | Q923-Y925 HydrophobicContact CG-CE2 4.46Å; Q923-Y925 WeakPolarHBondContact O-CD2 3.5Å; Q923-Y925 WeakPolarHBondContact O-CE2 3.36Å; Q923-I955 VanDerWaalsContact CD-CD1 3.49Å | ||
| 924 | E | 70.8 | Confident | 62.1 | Low | 78 Ų | 78 | 81.4 Ų | 81.4 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -64.9 | 137.6 | 157.7 | -171.5 | -164.6 | 144.2 | 0 | 0 | 111.2 | H907 Y909 | H907-E924 HydrophobicContact CB-CG 4.18Å; H907-E924 IonicContact CE1-OE1 3.5Å; H907-E924 IonicContact CG-OE1 3.92Å; H907-E924 IonicContact ND1-OE1 3.37Å; H907-E924 PolarHBondContact ND1-OE1 2.75Å; H907-E924 IonicContact ND1-OE2 3.69Å; Y909-E924 HydrophobicContact CD1-CB 4.38Å; Y909-E924 HydrophobicContact CE1-CB 3.68Å; Y909-E924 HydrophobicContact CE1-CG 4.21Å; Y909-E924 HydrophobicContact CE2-CG 4.28Å | ||
| 925 | Y | 74.8 | Confident | 61.2 | Low | 41 Ų | 41 | 83.1 Ų | 83.1 | 16% | 0.161 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.2 | 173.1 | -62.8 | -93.1 | 0 | 0 | 0 | 109.9 | V908 V910 Q923 L949 I955 | V908-Y925 PolarHBondContact O-N 3.35Å; V910-Y925 HydrophobicContact CB-CE2 4.12Å; V910-Y925 HydrophobicContact CG2-CD2 4.05Å; V910-Y925 HydrophobicContact CG2-CE2 4.03Å; Q923-Y925 HydrophobicContact CG-CE2 4.46Å; Q923-Y925 WeakPolarHBondContact O-CD2 3.5Å; Q923-Y925 WeakPolarHBondContact O-CE2 3.36Å; Y925-L949 HydrophobicContact CD1-CD1 4.37Å; Y925-L949 HydrophobicContact CG-CD1 4.11Å; Y925-I955 HydrophobicContact CE1-CD1 4.47Å; Y925-I955 WeakPolarHBondContact OH-CD1 3.34Å |
| 926 | P | 80.7 | Confident | 60.1 | Low | 40 Ų | 40 | 85.7 Ų | 85.7 | 26% | 0.26 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 135.6 | 178.7 | 27.6 | -32.6 | 0 | 0 | 0 | 109.9 | L949 G950 K952 | P926-L949 CarbonylContact O-C 3.43Å; P926-L949 WeakPolarHBondContact O-CA 3.22Å; P926-G950 PolarHBondContact O-N 3.13Å; P926-K952 HydrophobicContact CG-CD 4.43Å; P926-K952 HydrophobicContact CG-CG 4.46Å |
| 927 | V | 82 | Confident | 59.1 | Low | 9 Ų | 9 | 82.7 Ų | 82.7 | 6% | 0.055 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.1 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | P903 V906 V908 L929 I930 L947 L949 | P903-V927 HydrophobicContact CB-CB 4.45Å; P903-V927 HydrophobicContact CB-CG1 4.24Å; P903-V927 VanDerWaalsContact CB-O 3.29Å; P903-V927 WeakPolarHBondContact CB-O 3.3Å; V906-V927 HydrophobicContact CB-CB 4.33Å; V906-V927 HydrophobicContact CB-CG2 4.09Å; V906-V927 HydrophobicContact CG1-CG2 3.81Å; V906-V927 WeakPolarHBondContact O-CG2 3.21Å; V908-V927 HydrophobicContact CB-CG2 4.47Å; V908-V927 HydrophobicContact CG2-CG2 3.47Å; V908-V927 VanDerWaalsContact CG2-CG2 3.47Å; V927-L929 WeakPolarHBondContact CG1-O 3.19Å; V927-I930 HydrophobicContact CG1-CG1 3.92Å; V927-L947 HydrophobicContact CG1-CB 4.06Å; V927-L947 HydrophobicContact CG2-CB 4.39Å; V927-L947 HydrophobicContact CG2-CD1 4.38Å; V927-L949 HydrophobicContact CG2-CD2 4.21Å |
| 928 | T | 80.9 | Confident | 58.2 | Low | 79 Ų | 79 | 84.3 Ų | 84.3 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -25.9 | 179.7 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | K948 | T928-K948 PolarHBondContact N-O 3.38Å; T928-K948 PolarHBondContact OG1-O 2.04Å |
| 929 | L | 80.5 | Confident | 57.4 | Low | 84 Ų | 84 | 88.1 Ų | 88.1 | 44% | 0.44 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 137.8 | -179.1 | -174.7 | 67.8 | 0 | 0 | 0 | 109.4 | V927 I931 K948 | V927-L929 WeakPolarHBondContact CG1-O 3.19Å; L929-I931 HydrophobicContact CD2-CD1 3.91Å; L929-I931 HydrophobicContact CD2-CG1 3.85Å; L929-I931 HydrophobicContact CG-CG1 3.98Å; L929-K948 HydrophobicContact CB-CB 3.97Å; L929-K948 PolarHBondContact O-N 2.85Å |
| 930 | I | 79.4 | Confident | 57 | Low | 15 Ų | 15 | 85 Ų | 85 | 8% | 0.077 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.8 | 171.4 | -57.6 | 178.5 | 0 | 0 | 0 | 106.7 | V866 L900 V901 P903 V906 V927 L947 | V866-I930 HydrophobicContact CB-CD1 4.49Å; V866-I930 HydrophobicContact CB-CG2 4.01Å; V866-I930 HydrophobicContact CG1-CD1 4.49Å; V866-I930 HydrophobicContact CG1-CG2 4.4Å; V866-I930 HydrophobicContact CG2-CG2 3.73Å; L900-I930 HydrophobicContact CD1-CG2 4.29Å; V901-I930 HydrophobicContact CG2-CD1 4.31Å; V901-I930 WeakPolarHBondContact O-CD1 3.46Å; P903-I930 HydrophobicContact CG-CD1 4.41Å; P903-I930 HydrophobicContact CG-CG1 4.27Å; V906-I930 HydrophobicContact CG2-CD1 3.76Å; V927-I930 HydrophobicContact CG1-CG1 3.92Å; I930-L947 HydrophobicContact CB-CD2 4.23Å; I930-L947 HydrophobicContact CG1-CD2 3.86Å; I930-L947 HydrophobicContact CG2-CD2 3.88Å |
| 931 | I | 74 | Confident | 56.8 | Low | 33 Ų | 33 | 76.5 Ų | 76.5 | 17% | 0.169 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 101.7 | 177 | -53 | 175.2 | 0 | 0 | 0 | 107.2 | L929 A945 I946 L984 | L929-I931 HydrophobicContact CD2-CD1 3.91Å; L929-I931 HydrophobicContact CD2-CG1 3.85Å; L929-I931 HydrophobicContact CG-CG1 3.98Å; I931-A945 CarbonylContact O-C 3.56Å; I931-A945 WeakPolarHBondContact O-CA 3.24Å; I931-I946 HydrophobicContact CB-CB 4.35Å; I931-I946 PolarHBondContact N-O 2.86Å; I931-I946 PolarHBondContact O-N 2.79Å; I931-L984 HydrophobicContact CD1-CD2 4.45Å; I931-L984 HydrophobicContact CG2-CD2 4.44Å |
| 932 | P | 63.5 | Low | 57 | Low | 49 Ų | 49 | 73.9 Ų | 73.9 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 147.7 | 171.6 | 33.2 | -36.8 | 0 | 0 | 0 | 110.5 | L900 | L900-P932 HydrophobicContact CD1-CG 3.77Å; L900-P932 HydrophobicContact CD2-CB 3.95Å; L900-P932 HydrophobicContact CD2-CG 4.02Å; L900-P932 HydrophobicContact CG-CG 4.4Å |
| 933 | G | 56.6 | Low | 57.6 | Low | 12 Ų | 12 | 64.3 Ų | 64.3 | 12% | 0.124 | 32% | 0.321 | C | S | . | . | trans | -59.4 | 146 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F935 I944 | G933-F935 PolarHBondContact O-N 2.79Å; G933-I944 WeakPolarHBondContact CA-O 2.96Å; G933-I944 PolarHBondContact N-O 2.89Å | ||
| 934 | T | 49.1 | Very low | 58.1 | Low | 21 Ų | 21 | 61.8 Ų | 61.8 | 13% | 0.129 | 31% | 0.309 | C | S | . | . | trans | -73.6 | 108.5 | 179.2 | 44.2 | 0 | 0 | 0 | 0 | 110.9 | H936 K988 V989 Y991 | T934-H936 PolarHBondContact O-N 2.91Å; T934-K988 HydrophobicContact CG2-CB 4.17Å; T934-V989 HydrophobicContact CG2-CB 4.46Å; T934-V989 WeakPolarHBondContact CG2-O 3.37Å; T934-V989 PolarHBondContact OG1-O 3.45Å; T934-V989 VanDerWaalsContact OG1-O 3.08Å; T934-Y991 WeakPolarHBondContact OG1-CE2 3.46Å | ||
| 935 | F | 37 | Very low | 58.4 | Low | 83 Ų | 83 | 58.1 Ų | 58.1 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -70 | 62 | 161.2 | -95.2 | -95.7 | 0 | 0 | 0 | 110.1 | I890 G933 E942 | I890-F935 HydrophobicContact CD1-CD1 4.03Å; I890-F935 HydrophobicContact CD1-CE1 4.35Å; G933-F935 PolarHBondContact O-N 2.79Å; F935-E942 WeakPolarHBondContact CE2-O 3.45Å | ||
| 936 | H | 32.2 | Very low | 58.8 | Low | 118 Ų | 118 | 58.1 Ų | 58.1 | 55% | 0.546 | 30% | 0.295 | S | S | . | . | trans | -93.7 | 130 | 174.3 | -110.4 | -75.3 | 0 | 0 | 0 | 109.6 | T934 | T934-H936 PolarHBondContact O-N 2.91Š| ||
| 937 | E | 32.1 | Very low | 58.9 | Low | 123 Ų | 123 | 56.2 Ų | 56.2 | 58% | 0.575 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 49.3 | 100.9 | 157.6 | -71.6 | -178.2 | -176.6 | 0 | 0 | 117 | Y994 | E937-Y994 PolarHBondContact O-OH 3.33Š|
| 938 | F | 30.3 | Very low | 59 | Low | 158 Ų | 158 | 60.4 Ų | 60.4 | 69% | 0.693 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 65.9 | 106.1 | 165.1 | -61.6 | -90.8 | 0 | 0 | 0 | 115.7 | ||
| 939 | N | 34.7 | Very low | 58.9 | Low | 97 Ų | 97 | 57.2 Ų | 57.2 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 95.8 | 141.9 | 157.6 | -43.4 | -51.4 | 0 | 0 | 0 | 115.4 | K941 | N939-K941 HydrophobicContact CB-CD 3.87Å; N939-K941 HydrophobicContact CB-CG 4.07Å; N939-K941 PolarHBondContact O-N 3.02Å |
| 940 | E | 36.8 | Very low | 58.3 | Low | 117 Ų | 117 | 53.8 Ų | 53.8 | 55% | 0.547 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -55.2 | 29.5 | -174.3 | -55.6 | 169.1 | 153.7 | 0 | 0 | 116.4 | N887 | N887-E940 PolarHBondContact ND2-OE1 2.81Å; N887-E940 PolarHBondContact OD1-OE1 2.52Å; N887-E940 VanDerWaalsContact OD1-OE1 3.11Å |
| 941 | K | 42.9 | Very low | 57 | Low | 49 Ų | 49 | 64 Ų | 64 | 21% | 0.213 | 30% | 0.302 | C | S | . | . | trans | -107.4 | 1.5 | -149.1 | -74.6 | -179.2 | 179.2 | 164.3 | 0 | 117.2 | N939 K996 N998 | N939-K941 HydrophobicContact CB-CD 3.87Å; N939-K941 HydrophobicContact CB-CG 4.07Å; N939-K941 PolarHBondContact O-N 3.02Å; K941-K996 WeakPolarHBondContact CE-O 3.36Å; K941-K996 VanDerWaalsContact NZ-CA 3.25Å; K941-K996 PolarHBondContact NZ-O 2.92Å; K941-N998 HydrophobicContact CB-CB 4.01Å; K941-N998 HydrophobicContact CD-CB 4.1Å; K941-N998 HydrophobicContact CG-CB 4.12Å | ||
| 942 | E | 49.6 | Very low | 55.4 | Low | 35 Ų | 35 | 69.1 Ų | 69.1 | 16% | 0.164 | 32% | 0.324 | C | S | . | . | trans | -134.7 | 76.6 | -178.8 | -64.8 | -173 | -170.8 | 0 | 0 | 112.6 | F935 I944 Y991 | F935-E942 WeakPolarHBondContact CE2-O 3.45Å; E942-I944 PolarHBondContact O-N 3.45Å; E942-Y991 VanDerWaalsContact OE1-CD2 3.24Å; E942-Y991 WeakPolarHBondContact OE1-CD2 3.44Å; E942-Y991 VanDerWaalsContact OE1-CE2 3.27Å; E942-Y991 WeakPolarHBondContact OE1-CE2 3.41Å; E942-Y991 WeakPolarHBondContact OE2-CE2 3.4Å; E942-Y991 PolarHBondContact OE2-OH 3.09Å; E942-Y991 VanDerWaalsContact OE2-OH 3.05Å | ||
| 943 | D | 62.2 | Low | 53.9 | Low | 26 Ų | 26 | 71.4 Ų | 71.4 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | trans | -90.2 | 65.8 | 171.5 | -174.7 | 25.6 | 0 | 0 | 0 | 111.2 | A862 A863 H864 S1033 | A862-D943 WeakPolarHBondContact CA-O 3.2Å; A863-D943 WeakPolarHBondContact CA-OD1 3.4Å; A863-D943 WeakPolarHBondContact CB-OD1 3.28Å; A863-D943 PolarHBondContact N-O 3.16Å; A863-D943 PolarHBondContact N-OD1 2.98Å; H864-D943 IonicContact CE1-OD2 3.68Å; H864-D943 IonicContact CG-OD1 3.03Å; H864-D943 IonicContact CG-OD2 3.71Å; H864-D943 PolarHBondContact N-OD1 3.13Å; H864-D943 IonicContact ND1-OD1 2.63Å; H864-D943 PolarHBondContact ND1-OD1 3.34Å; H864-D943 IonicContact ND1-OD2 3.34Å; H864-D943 PolarHBondContact ND1-OD2 2.79Å; D943-S1033 WeakPolarHBondContact CB-OG 3.47Å; D943-S1033 VanDerWaalsContact OD2-CB 3.24Å; D943-S1033 WeakPolarHBondContact OD2-CB 3.24Å; D943-S1033 PolarHBondContact OD2-OG 2.72Å | ||
| 944 | I | 69.3 | Low | 52.7 | Low | 30 Ų | 30 | 76.3 Ų | 76.3 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | trans | -132.6 | 139.2 | -176.9 | -57.9 | 178.5 | 0 | 0 | 0 | 110.8 | L860 G933 E942 I1031 | L860-I944 HydrophobicContact CD1-CG2 3.63Å; G933-I944 WeakPolarHBondContact CA-O 2.96Å; G933-I944 PolarHBondContact N-O 2.89Å; E942-I944 PolarHBondContact O-N 3.45Å; I944-I1031 HydrophobicContact CB-CD1 4.31Å; I944-I1031 HydrophobicContact CD1-CD1 4.48Å; I944-I1031 HydrophobicContact CG1-CD1 3.97Å; I944-I1031 HydrophobicContact CG2-CD1 3.82Å | ||
| 945 | A | 78.5 | Confident | 51.8 | Low | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.008 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T861 A863 V866 I931 | T861-A945 HydrophobicContact CG2-CB 4.18Å; T861-A945 PolarHBondContact N-O 3.41Å; T861-A945 PolarHBondContact O-N 3.41Å; T861-A945 VanDerWaalsContact O-O 3.11Å; A863-A945 HydrophobicContact CB-CB 4.46Å; V866-A945 HydrophobicContact CG2-CB 3.7Å; I931-A945 CarbonylContact O-C 3.56Å; I931-A945 WeakPolarHBondContact O-CA 3.24Å |
| 946 | I | 81.7 | Confident | 51.4 | Low | 42 Ų | 42 | 78.3 Ų | 78.3 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129 | 175.6 | -60.6 | 173.7 | 0 | 0 | 0 | 109.3 | L858 I859 L860 I931 | L858-I946 HydrophobicContact CB-CG2 4.47Å; L858-I946 HydrophobicContact CD2-CG2 4.08Å; I859-I946 CarbonylContact O-C 3.52Å; I859-I946 VanDerWaalsContact O-CA 3.31Å; I859-I946 WeakPolarHBondContact O-CA 3.33Å; L860-I946 HydrophobicContact CD1-CG1 3.83Å; I931-I946 HydrophobicContact CB-CB 4.35Å; I931-I946 PolarHBondContact N-O 2.86Å; I931-I946 PolarHBondContact O-N 2.79Å |
| 947 | L | 84.4 | Confident | 51.4 | Low | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.5 | 173.6 | -43.3 | 178.4 | 0 | 0 | 0 | 109.8 | I832 L858 I859 T861 V866 V906 V908 V927 I930 | I832-L947 HydrophobicContact CD1-CD1 3.72Å; I832-L947 HydrophobicContact CG1-CD1 4.32Å; I832-L947 HydrophobicContact CG2-CD1 4.18Å; L858-L947 WeakPolarHBondContact CA-O 3.21Å; I859-L947 HydrophobicContact CB-CB 4.2Å; I859-L947 PolarHBondContact N-O 2.98Å; I859-L947 PolarHBondContact O-N 2.96Å; T861-L947 HydrophobicContact CG2-CD1 4.27Å; T861-L947 HydrophobicContact CG2-CD2 4.45Å; T861-L947 HydrophobicContact CG2-CG 4.15Å; V866-L947 HydrophobicContact CG1-CD2 3.87Å; V906-L947 HydrophobicContact CG1-CD1 4Å; V908-L947 HydrophobicContact CG2-CD1 4.01Å; V927-L947 HydrophobicContact CG1-CB 4.06Å; V927-L947 HydrophobicContact CG2-CB 4.39Å; V927-L947 HydrophobicContact CG2-CD1 4.38Å; I930-L947 HydrophobicContact CB-CD2 4.23Å; I930-L947 HydrophobicContact CG1-CD2 3.86Å; I930-L947 HydrophobicContact CG2-CD2 3.88Å |
| 948 | K | 83.1 | Confident | 51.3 | Low | 97 Ų | 97 | 83.2 Ų | 83.2 | 42% | 0.422 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.5 | 172.8 | -173.6 | 171.6 | -178.6 | 158.5 | 0 | 110.4 | D857 L858 T928 L929 | D857-K948 CarbonylContact O-C 3.6Å; D857-K948 WeakPolarHBondContact O-CA 3.32Å; L858-K948 HydrophobicContact CD2-CB 4.12Å; L858-K948 HydrophobicContact CD2-CG 4.15Å; T928-K948 PolarHBondContact N-O 3.38Å; T928-K948 PolarHBondContact OG1-O 2.04Å; L929-K948 HydrophobicContact CB-CB 3.97Å; L929-K948 PolarHBondContact O-N 2.85Å |
| 949 | L | 79.2 | Confident | 51.7 | Low | 11 Ų | 11 | 78.4 Ų | 78.4 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 142.4 | 178.1 | -55.4 | -179.3 | 0 | 0 | 0 | 111.2 | D857 I859 V908 V910 Y925 P926 V927 | D857-L949 HydrophobicContact CB-CB 4.49Å; D857-L949 PolarHBondContact O-N 2.91Å; I859-L949 HydrophobicContact CD1-CD1 4.33Å; I859-L949 HydrophobicContact CG1-CD1 4Å; I859-L949 HydrophobicContact CG1-CD2 4.16Å; I859-L949 HydrophobicContact CG1-CG 4.11Å; V908-L949 HydrophobicContact CB-CD2 3.87Å; V908-L949 HydrophobicContact CG1-CD2 4.04Å; V908-L949 HydrophobicContact CG2-CD2 4.07Å; V910-L949 HydrophobicContact CG2-CD1 4.24Å; Y925-L949 HydrophobicContact CD1-CD1 4.37Å; Y925-L949 HydrophobicContact CG-CD1 4.11Å; P926-L949 CarbonylContact O-C 3.43Å; P926-L949 WeakPolarHBondContact O-CA 3.22Å; V927-L949 HydrophobicContact CG2-CD2 4.21Å |
| 950 | G | 67.3 | Low | 51.7 | Low | 13 Ų | 13 | 74.9 Ų | 74.9 | 13% | 0.134 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 139.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P926 K952 | P926-G950 PolarHBondContact O-N 3.13Å; G950-K952 PolarHBondContact O-N 2.79Å |
| 951 | R | 51.9 | Low | 51.6 | Low | 228 Ų | 228 | 69.7 Ų | 69.7 | 86% | 0.86 | 34% | 0.343 | S | S | * | . | trans | -66.3 | 93.6 | 176.4 | -73 | -177.9 | 177.2 | 176 | 0.6 | 111.5 | ||||
| 952 | K | 40.8 | Very low | 51.1 | Low | 141 Ų | 141 | 69.6 Ų | 69.6 | 61% | 0.613 | 35% | 0.349 | S | S | * | . | trans | -92.1 | 103.8 | 152 | -83.5 | -176.4 | 178.6 | 172.5 | 0 | 108.6 | P926 G950 | P926-K952 HydrophobicContact CG-CD 4.43Å; P926-K952 HydrophobicContact CG-CG 4.46Å; G950-K952 PolarHBondContact O-N 2.79Å | ||
| 953 | S | 32.1 | Very low | 50.5 | Low | 98 Ų | 98 | 68.5 Ų | 68.5 | 69% | 0.685 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 17.3 | 116.3 | 162.2 | 60.9 | 0 | 0 | 0 | 0 | 118.5 | ||
| 954 | S | 31 | Very low | 49.2 | Very low | 115 Ų | 115 | 69.1 Ų | 69.1 | 80% | 0.804 | 35% | 0.351 | S | S | * | . | trans | 53.1 | 75.6 | 159.6 | 69.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 955 | I | 31.8 | Very low | 47.4 | Very low | 89 Ų | 89 | 69.5 Ų | 69.5 | 46% | 0.456 | 35% | 0.353 | S | S | . | . | trans | -106.2 | 121.3 | 146.5 | -96.8 | 172.7 | 0 | 0 | 0 | 111.6 | Q923 Y925 | Q923-I955 VanDerWaalsContact CD-CD1 3.49Å; Y925-I955 HydrophobicContact CE1-CD1 4.47Å; Y925-I955 WeakPolarHBondContact OH-CD1 3.34Å | ||
| 956 | S | 28.2 | Very low | 45.2 | Very low | 57 Ų | 57 | 71.3 Ų | 71.3 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | trans | -78 | 117.9 | 174 | 46.8 | 0 | 0 | 0 | 0 | 111.2 | K611 Q958 | K611-S956 PolarHBondContact NZ-OG 2.81Å; S956-Q958 PolarHBondContact O-N 3.33Å | ||
| 957 | R | 31.2 | Very low | 42.8 | Very low | 212 Ų | 212 | 71.6 Ų | 71.6 | 80% | 0.8 | 36% | 0.359 | S | S | * | . | trans | 54.2 | 43.9 | 136.6 | -60 | -175.2 | 178.1 | -175.9 | -3.2 | 118.8 | ||||
| 958 | Q | 31.1 | Very low | 40.3 | Very low | 132 Ų | 132 | 73.1 Ų | 73.1 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | trans | -110.9 | 106.2 | 169 | -83.1 | -179.8 | -32.3 | 0 | 0 | 111.6 | S956 | S956-Q958 PolarHBondContact O-N 3.33Š| ||
| 959 | I | 37.3 | Very low | 37.7 | Very low | 57 Ų | 57 | 70.8 Ų | 70.8 | 29% | 0.292 | 38% | 0.375 | S | S | . | . | trans | 40 | 113.2 | 147 | -47.4 | 175 | 0 | 0 | 0 | 117 | P827 | P827-I959 HydrophobicContact CB-CB 4.34Å; P827-I959 HydrophobicContact CB-CD1 4.37Å; P827-I959 HydrophobicContact CB-CG2 4.47Å; P827-I959 HydrophobicContact CG-CB 4.25Å; P827-I959 HydrophobicContact CG-CD1 4.23Å; P827-I959 HydrophobicContact CG-CG2 3.86Å | ||
| 960 | L | 34.9 | Very low | 35.4 | Very low | 22 Ų | 22 | 75.3 Ų | 75.3 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | trans | -133.1 | 143.4 | -164.1 | -65.8 | 148.8 | 0 | 0 | 0 | 111.1 | C798 L847 D849 H853 N854 | C798-L960 VanDerWaalsContact CA-O 3.24Å; C798-L960 WeakPolarHBondContact CA-O 3.23Å; C798-L960 WeakPolarHBondContact CB-O 3.5Å; L847-L960 HydrophobicContact CD2-CD2 4.02Å; D849-L960 HydrophobicContact CB-CB 3.99Å; H853-L960 WeakPolarHBondContact O-CD1 3.2Å; N854-L960 WeakPolarHBondContact O-CD1 3.3Å | ||
| 961 | C | 34.5 | Very low | 33.8 | Very low | 8 Ų | 8 | 81.7 Ų | 81.7 | 5% | 0.054 | 43% | 0.426 | C | S | . | . | trans | -123.1 | 119.2 | -168.6 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | I848 D849 | I848-C961 CarbonylContact C-O 3.52Å; I848-C961 WeakPolarHBondContact CA-O 3.01Å; D849-C961 PolarHBondContact N-O 2.97Å | ||
| 962 | S | 34.1 | Very low | 33.2 | Very low | 48 Ų | 48 | 76.3 Ų | 76.3 | 34% | 0.336 | 41% | 0.41 | S | S | . | . | trans | -72.2 | 135.4 | 167.3 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | D849 | D849-S962 WeakPolarHBondContact O-CA 3.49Å; D849-S962 VanDerWaalsContact O-CB 3.22Å; D849-S962 WeakPolarHBondContact O-CB 3.2Å | ||
| 963 | V | 35.9 | Very low | 32.9 | Very low | 11 Ų | 11 | 73.3 Ų | 73.3 | 7% | 0.067 | 40% | 0.401 | C | S | . | . | trans | -96.9 | 118.6 | 174.1 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | I848 W850 L965 I1028 | I848-V963 HydrophobicContact CB-CG2 3.55Å; I848-V963 HydrophobicContact CD1-CG2 4.25Å; I848-V963 HydrophobicContact CG2-CG2 3.25Å; W850-V963 HydrophobicContact CE3-CB 4.37Å; W850-V963 HydrophobicContact CZ3-CB 4.37Å; W850-V963 HydrophobicContact CZ3-CG1 4.25Å; V963-L965 HydrophobicContact CG1-CB 4.48Å; V963-L965 HydrophobicContact CG1-CD1 4.49Å; V963-L965 HydrophobicContact CG1-CD2 4.49Å; V963-L965 HydrophobicContact CG1-CG 3.76Å; V963-I1028 HydrophobicContact CG2-CD1 4.42Å | ||
| 964 | S | 35.9 | Very low | 33.1 | Very low | 40 Ų | 40 | 72.8 Ų | 72.8 | 28% | 0.28 | 40% | 0.396 | S | S | . | . | trans | -103 | 109.5 | 152.5 | -57.8 | 0 | 0 | 0 | 0 | 105.1 | F966 | S964-F966 VanDerWaalsContact C-N 3.32Å; S964-F966 VanDerWaalsContact O-CD2 3.25Å; S964-F966 WeakPolarHBondContact O-CD2 3.27Å; S964-F966 PolarHBondContact O-N 3.21Å | ||
| 965 | L | 30.8 | Very low | 33.4 | Very low | 37 Ų | 37 | 73.6 Ų | 73.6 | 19% | 0.194 | 39% | 0.391 | C | S | . | . | trans | -68.4 | 95.2 | 175.7 | -88 | 157.9 | 0 | 0 | 0 | 107.8 | V963 | V963-L965 HydrophobicContact CG1-CB 4.48Å; V963-L965 HydrophobicContact CG1-CD1 4.49Å; V963-L965 HydrophobicContact CG1-CD2 4.49Å; V963-L965 HydrophobicContact CG1-CG 3.76Å | ||
| 966 | F | 31.8 | Very low | 33.5 | Very low | 39 Ų | 39 | 77.6 Ų | 77.6 | 17% | 0.171 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.3 | 176.5 | -72 | -61.2 | 0 | 0 | 0 | 109.1 | S964 A968 L977 Q979 V1027 Y1029 | S964-F966 VanDerWaalsContact C-N 3.32Å; S964-F966 VanDerWaalsContact O-CD2 3.25Å; S964-F966 WeakPolarHBondContact O-CD2 3.27Å; S964-F966 PolarHBondContact O-N 3.21Å; F966-A968 PolarHBondContact O-N 2.83Å; F966-L977 HydrophobicContact CB-CB 4.45Å; F966-L977 HydrophobicContact CB-CD1 4.31Å; F966-L977 HydrophobicContact CB-CD2 3.65Å; F966-L977 HydrophobicContact CB-CG 4.32Å; F966-L977 HydrophobicContact CD1-CB 3.58Å; F966-L977 HydrophobicContact CD1-CD1 4.05Å; F966-L977 HydrophobicContact CD1-CD2 4.38Å; F966-L977 HydrophobicContact CD1-CG 4.18Å; F966-L977 HydrophobicContact CD2-CD1 4.43Å; F966-L977 HydrophobicContact CE1-CB 4.07Å; F966-L977 HydrophobicContact CE1-CD1 4.42Å; F966-L977 HydrophobicContact CG-CB 4.24Å; F966-L977 HydrophobicContact CG-CD1 4.03Å; F966-L977 HydrophobicContact CG-CD2 4.22Å; F966-L977 HydrophobicContact CG-CG 4.36Å; F966-Q979 HydrophobicContact CE1-CB 4.42Å; F966-V1027 HydrophobicContact CD2-CG1 4.34Å; F966-V1027 HydrophobicContact CE2-CG1 4.49Å; F966-Y1029 HydrophobicContact CB-CD1 4.39Å; F966-Y1029 HydrophobicContact CB-CE1 4.47Å |
| 967 | Y | 31.8 | Very low | 33.6 | Very low | 48 Ų | 48 | 76.4 Ų | 76.4 | 19% | 0.188 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 109.1 | 172.9 | -79 | -98.2 | 0 | 0 | 0 | 109.3 | G969 F980 N998 | Y967-G969 PolarHBondContact O-N 3.43Å; Y967-F980 AromaticContact CD2-CD2 3.41Å; Y967-F980 HydrophobicContact CD2-CD2 3.41Å; Y967-F980 VanDerWaalsContact CD2-CD2 3.41Å; Y967-F980 AromaticContact CD2-CE2 3.77Å; Y967-F980 HydrophobicContact CD2-CE2 3.77Å; Y967-F980 HydrophobicContact CD2-CG 4.5Å; Y967-F980 AromaticContact CE2-CD2 3.84Å; Y967-F980 HydrophobicContact CE2-CD2 3.84Å; Y967-F980 HydrophobicContact CE2-CE2 4.41Å; Y967-F980 HydrophobicContact CG-CD2 4.22Å; Y967-F980 HydrophobicContact CG-CE2 4.11Å; Y967-N998 HydrophobicContact CD1-CB 4.27Å; Y967-N998 HydrophobicContact CE1-CB 4.06Å |
| 968 | A | 32.5 | Very low | 33.7 | Very low | 33 Ų | 33 | 72.5 Ų | 72.5 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | trans | -83.9 | 91.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F966 N970 L1000 | F966-A968 PolarHBondContact O-N 2.83Å; A968-N970 PolarHBondContact O-N 2.98Å; A968-L1000 HydrophobicContact CB-CD1 4.09Å; A968-L1000 HydrophobicContact CB-CD2 3.9Å; A968-L1000 HydrophobicContact CB-CG 4.3Å | ||
| 969 | G | 28.9 | Very low | 33.7 | Very low | 47 Ų | 47 | 73.1 Ų | 73.1 | 49% | 0.485 | 39% | 0.388 | S | S | . | . | trans | -70.7 | 108 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y967 | Y967-G969 PolarHBondContact O-N 3.43Š| ||
| 970 | N | 29.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 72 Ų | 72 | 57% | 0.567 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 61.8 | 138.8 | 177.7 | -100.3 | -9.8 | 0 | 0 | 0 | 116.3 | A968 E972 | A968-N970 PolarHBondContact O-N 2.98Å; N970-E972 PolarHBondContact O-N 3.46Å |
| 971 | Q | 34 | Very low | 33.3 | Very low | 148 Ų | 148 | 78.7 Ų | 78.7 | 69% | 0.692 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -0.6 | 179.7 | -83.6 | -171.4 | -41.7 | 0 | 0 | 115.3 | ||
| 972 | E | 38.5 | Very low | 33.1 | Very low | 114 Ų | 114 | 80.1 Ų | 80.1 | 53% | 0.533 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6.7 | -166 | -78.2 | 173.5 | 174.6 | 0 | 0 | 115.1 | N970 V1338 | N970-E972 PolarHBondContact O-N 3.46Å; E972-V1338 VanDerWaalsContact OE1-CG1 3.26Å; E972-V1338 WeakPolarHBondContact OE1-CG1 3.48Å |
| 973 | N | 35.2 | Very low | 33 | Very low | 78 Ų | 78 | 81 Ų | 81 | 42% | 0.417 | 43% | 0.426 | S | S | . | . | trans | -157.8 | 100.5 | 169.5 | -153.5 | -21.9 | 0 | 0 | 0 | 113.9 | D975 K976 | N973-D975 PolarHBondContact O-N 2.98Å; N973-D975 PolarHBondContact OD1-N 3.21Å; N973-K976 PolarHBondContact O-N 3.05Å | ||
| 974 | P | 35.4 | Very low | 32.7 | Very low | 88 Ų | 88 | 85.9 Ų | 85.9 | 57% | 0.571 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -2.8 | 177.6 | 27.5 | -34.4 | 0 | 0 | 0 | 114.6 | L977 | P974-L977 VanDerWaalsContact O-CD1 3.23Å; P974-L977 WeakPolarHBondContact O-CD1 3.41Å; P974-L977 WeakPolarHBondContact O-CG 3.36Å |
| 975 | D | 38.3 | Very low | 32.4 | Very low | 131 Ų | 131 | 91.2 Ų | 91.2 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -8.9 | 179.6 | -63.2 | -34.2 | 0 | 0 | 0 | 114 | N973 L977 | N973-D975 PolarHBondContact O-N 2.98Å; N973-D975 PolarHBondContact OD1-N 3.21Å; D975-L977 PolarHBondContact O-N 3.42Å |
| 976 | K | 32.7 | Very low | 32.5 | Very low | 173 Ų | 173 | 96.9 Ų | 96.9 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | trans | -88 | 39.9 | 171.4 | -77.6 | -170.6 | 177.8 | 177.5 | 0 | 112.9 | N973 Q978 | N973-K976 PolarHBondContact O-N 3.05Å; K976-Q978 PolarHBondContact O-N 3.15Å; K976-Q978 VanDerWaalsContact O-N 3.15Å | ||
| 977 | L | 31.7 | Very low | 32.5 | Very low | 33 Ų | 33 | 98.4 Ų | 98.4 | 17% | 0.173 | 52% | 0.524 | C | S | . | . | trans | -75.9 | 100.3 | 176.8 | -67.7 | 171.4 | 0 | 0 | 0 | 109.9 | F966 P974 D975 Q979 Y1029 | F966-L977 HydrophobicContact CB-CB 4.45Å; F966-L977 HydrophobicContact CB-CD1 4.31Å; F966-L977 HydrophobicContact CB-CD2 3.65Å; F966-L977 HydrophobicContact CB-CG 4.32Å; F966-L977 HydrophobicContact CD1-CB 3.58Å; F966-L977 HydrophobicContact CD1-CD1 4.05Å; F966-L977 HydrophobicContact CD1-CD2 4.38Å; F966-L977 HydrophobicContact CD1-CG 4.18Å; F966-L977 HydrophobicContact CD2-CD1 4.43Å; F966-L977 HydrophobicContact CE1-CB 4.07Å; F966-L977 HydrophobicContact CE1-CD1 4.42Å; F966-L977 HydrophobicContact CG-CB 4.24Å; F966-L977 HydrophobicContact CG-CD1 4.03Å; F966-L977 HydrophobicContact CG-CD2 4.22Å; F966-L977 HydrophobicContact CG-CG 4.36Å; P974-L977 VanDerWaalsContact O-CD1 3.23Å; P974-L977 WeakPolarHBondContact O-CD1 3.41Å; P974-L977 WeakPolarHBondContact O-CG 3.36Å; D975-L977 PolarHBondContact O-N 3.42Å; L977-Q979 PolarHBondContact O-N 3.29Å; L977-Y1029 HydrophobicContact CD1-CE1 4.23Å; L977-Y1029 HydrophobicContact CD2-CE1 4.35Å | ||
| 978 | Q | 32.4 | Very low | 32.5 | Very low | 129 Ų | 129 | 102.1 Ų | 102.1 | 60% | 0.603 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 121.1 | 165.6 | -84 | -177.4 | -8.4 | 0 | 0 | 109.4 | K976 F980 | K976-Q978 PolarHBondContact O-N 3.15Å; K976-Q978 VanDerWaalsContact O-N 3.15Å; Q978-F980 HydrophobicContact CB-CE2 4.17Å; Q978-F980 HydrophobicContact CB-CZ 4.27Å |
| 979 | Q | 31.3 | Very low | 32.6 | Very low | 145 Ų | 145 | 101.1 Ų | 101.1 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122.1 | 172 | -173.8 | 177.3 | 0.6 | 0 | 0 | 108.2 | F966 L977 | F966-Q979 HydrophobicContact CE1-CB 4.42Å; L977-Q979 PolarHBondContact O-N 3.29Å |
| 980 | F | 32.7 | Very low | 32.7 | Very low | 34 Ų | 34 | 108.2 Ų | 108.2 | 15% | 0.149 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -100.2 | 134.8 | 173.6 | -68.2 | -77.1 | 0 | 0 | 0 | 110.5 | Y967 Q978 S992 G993 | Y967-F980 AromaticContact CD2-CD2 3.41Å; Y967-F980 HydrophobicContact CD2-CD2 3.41Å; Y967-F980 VanDerWaalsContact CD2-CD2 3.41Å; Y967-F980 AromaticContact CD2-CE2 3.77Å; Y967-F980 HydrophobicContact CD2-CE2 3.77Å; Y967-F980 HydrophobicContact CD2-CG 4.5Å; Y967-F980 AromaticContact CE2-CD2 3.84Å; Y967-F980 HydrophobicContact CE2-CD2 3.84Å; Y967-F980 HydrophobicContact CE2-CE2 4.41Å; Y967-F980 HydrophobicContact CG-CD2 4.22Å; Y967-F980 HydrophobicContact CG-CE2 4.11Å; Q978-F980 HydrophobicContact CB-CE2 4.17Å; Q978-F980 HydrophobicContact CB-CZ 4.27Å; F980-S992 WeakPolarHBondContact CD1-O 3.31Å; F980-S992 WeakPolarHBondContact CE1-O 3.48Å; F980-G993 WeakPolarHBondContact CE1-O 3.15Å |
| 981 | E | 30.6 | Very low | 33 | Very low | 163 Ų | 163 | 106.2 Ų | 106.2 | 76% | 0.762 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 119.9 | 176.1 | -136.2 | 177 | -169.7 | 0 | 0 | 109.2 | ||
| 982 | V | 31.9 | Very low | 32.9 | Very low | 38 Ų | 38 | 102.9 Ų | 102.9 | 23% | 0.23 | 52% | 0.522 | C | S | . | . | trans | -100.8 | 108.8 | 177.9 | 169.5 | 0 | 0 | 0 | 0 | 107.6 | W850 V989 Y991 | W850-V982 HydrophobicContact CH2-CB 4.35Å; W850-V982 HydrophobicContact CZ2-CB 4.48Å; V982-V989 HydrophobicContact CB-CG1 4.46Å; V982-V989 HydrophobicContact CG1-CB 4.43Å; V982-V989 HydrophobicContact CG1-CG1 3.38Å; V982-V989 HydrophobicContact CG1-CG2 4.24Å; V982-Y991 HydrophobicContact CG2-CD1 4.11Å; V982-Y991 HydrophobicContact CG2-CE1 3.96Å | ||
| 983 | S | 32.1 | Very low | 32.7 | Very low | 67 Ų | 67 | 100 Ų | 100 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123.2 | 171 | 62.4 | 0 | 0 | 0 | 0 | 110.2 | R990 | S983-R990 PolarHBondContact O-N 2.59Å |
| 984 | L | 29.2 | Very low | 32.4 | Very low | 113 Ų | 113 | 104.7 Ų | 104.7 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.5 | 167.9 | -89.9 | 150.7 | 0 | 0 | 0 | 109 | I931 V989 | I931-L984 HydrophobicContact CD1-CD2 4.45Å; I931-L984 HydrophobicContact CG2-CD2 4.44Å; L984-V989 HydrophobicContact CD2-CG2 4.01Å; L984-V989 HydrophobicContact CG-CG2 4.24Å |
| 985 | Y | 28.8 | Very low | 32.2 | Very low | 151 Ų | 151 | 104.9 Ų | 104.9 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 114.8 | 174.9 | -149.7 | -86.6 | 0 | 0 | 0 | 109.7 | G987 K988 | Y985-G987 PolarHBondContact O-N 2.99Å; Y985-K988 CarbonylContact C-O 3.56Å; Y985-K988 PolarHBondContact N-O 2.95Å; Y985-K988 CarbonylContact O-C 3.4Å; Y985-K988 WeakPolarHBondContact O-CA 3.19Å; Y985-K988 PolarHBondContact O-N 3.15Å |
| 986 | D | 32.6 | Very low | 31.9 | Very low | 156 Ų | 156 | 106.4 Ų | 106.4 | 83% | 0.834 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 39.2 | 171 | -139 | 13.3 | 0 | 0 | 0 | 114.9 | K988 | D986-K988 PolarHBondContact O-N 2.96Š|
| 987 | G | 31.4 | Very low | 32.2 | Very low | 72 Ų | 72 | 103.1 Ų | 103.1 | 74% | 0.742 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 9.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y985 | Y985-G987 PolarHBondContact O-N 2.99Š|
| 988 | K | 31.7 | Very low | 32.6 | Very low | 126 Ų | 126 | 104 Ų | 104 | 55% | 0.548 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.5 | 175.7 | -63.1 | -176.5 | 179.9 | -175.4 | 0 | 110.2 | T934 Y985 D986 | T934-K988 HydrophobicContact CG2-CB 4.17Å; Y985-K988 CarbonylContact C-O 3.56Å; Y985-K988 PolarHBondContact N-O 2.95Å; Y985-K988 CarbonylContact O-C 3.4Å; Y985-K988 WeakPolarHBondContact O-CA 3.19Å; Y985-K988 PolarHBondContact O-N 3.15Å; D986-K988 PolarHBondContact O-N 2.96Å |
| 989 | V | 34.9 | Very low | 32.8 | Very low | 12 Ų | 12 | 102 Ų | 102 | 7% | 0.073 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 138.8 | 171.6 | 170 | 0 | 0 | 0 | 0 | 108.6 | T934 V982 L984 Y991 | T934-V989 HydrophobicContact CG2-CB 4.46Å; T934-V989 WeakPolarHBondContact CG2-O 3.37Å; T934-V989 PolarHBondContact OG1-O 3.45Å; T934-V989 VanDerWaalsContact OG1-O 3.08Å; V982-V989 HydrophobicContact CB-CG1 4.46Å; V982-V989 HydrophobicContact CG1-CB 4.43Å; V982-V989 HydrophobicContact CG1-CG1 3.38Å; V982-V989 HydrophobicContact CG1-CG2 4.24Å; L984-V989 HydrophobicContact CD2-CG2 4.01Å; L984-V989 HydrophobicContact CG-CG2 4.24Å; V989-Y991 HydrophobicContact CB-CE2 4.45Å; V989-Y991 HydrophobicContact CG1-CD2 4.13Å; V989-Y991 HydrophobicContact CG1-CE1 4.36Å; V989-Y991 HydrophobicContact CG1-CE2 3.61Å |
| 990 | R | 32.2 | Very low | 33.3 | Very low | 195 Ų | 195 | 98.7 Ų | 98.7 | 74% | 0.736 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.4 | 166 | -88.1 | -173 | 174.2 | 176.8 | -1.9 | 109.9 | S983 | S983-R990 PolarHBondContact O-N 2.59Å |
| 991 | Y | 34.8 | Very low | 33.6 | Very low | 64 Ų | 64 | 101.8 Ų | 101.8 | 25% | 0.251 | 53% | 0.531 | S | S | . | . | trans | -100.3 | 145.3 | 172.8 | -58 | -95.1 | 0 | 0 | 0 | 110.1 | T934 E942 V982 V989 | T934-Y991 WeakPolarHBondContact OG1-CE2 3.46Å; E942-Y991 VanDerWaalsContact OE1-CD2 3.24Å; E942-Y991 WeakPolarHBondContact OE1-CD2 3.44Å; E942-Y991 VanDerWaalsContact OE1-CE2 3.27Å; E942-Y991 WeakPolarHBondContact OE1-CE2 3.41Å; E942-Y991 WeakPolarHBondContact OE2-CE2 3.4Å; E942-Y991 PolarHBondContact OE2-OH 3.09Å; E942-Y991 VanDerWaalsContact OE2-OH 3.05Å; V982-Y991 HydrophobicContact CG2-CD1 4.11Å; V982-Y991 HydrophobicContact CG2-CE1 3.96Å; V989-Y991 HydrophobicContact CB-CE2 4.45Å; V989-Y991 HydrophobicContact CG1-CD2 4.13Å; V989-Y991 HydrophobicContact CG1-CE1 4.36Å; V989-Y991 HydrophobicContact CG1-CE2 3.61Å | ||
| 992 | S | 32.7 | Very low | 33.9 | Very low | 79 Ų | 79 | 100.3 Ų | 100.3 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | trans | -117.4 | 103 | 175.7 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | F980 | F980-S992 WeakPolarHBondContact CD1-O 3.31Å; F980-S992 WeakPolarHBondContact CE1-O 3.48Å | ||
| 993 | G | 33.4 | Very low | 34.2 | Very low | 54 Ų | 54 | 103.3 Ų | 103.3 | 56% | 0.557 | 53% | 0.531 | S | S | * | . | trans | 118.6 | 116.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F980 | F980-G993 WeakPolarHBondContact CE1-O 3.15Š| ||
| 994 | Y | 29.1 | Very low | 34.1 | Very low | 175 Ų | 175 | 104.5 Ų | 104.5 | 69% | 0.686 | 53% | 0.53 | S | S | * | . | trans | -89.1 | 132.4 | -174.5 | -90.3 | -96.2 | 0 | 0 | 0 | 112.5 | E937 | E937-Y994 PolarHBondContact O-OH 3.33Š| ||
| 995 | N | 31.2 | Very low | 34.5 | Very low | 93 Ų | 93 | 103 Ų | 103 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | trans | -136 | 150.9 | 152.3 | -163.3 | -13.9 | 0 | 0 | 0 | 110.3 | N997 N998 | N995-N997 PolarHBondContact O-N 2.98Å; N995-N998 PolarHBondContact O-OD1 3.05Å | ||
| 996 | K | 32 | Very low | 34.8 | Very low | 162 Ų | 162 | 102.8 Ų | 102.8 | 70% | 0.704 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -82.5 | 1.9 | -166.1 | -100.8 | 177.4 | 177.3 | 176.2 | 0 | 115.5 | K941 | K941-K996 WeakPolarHBondContact CE-O 3.36Å; K941-K996 VanDerWaalsContact NZ-CA 3.25Å; K941-K996 PolarHBondContact NZ-O 2.92Å |
| 997 | N | 39 | Very low | 34.9 | Very low | 104 Ų | 104 | 96.3 Ų | 96.3 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | trans | -124 | 34.6 | -164.7 | -65.9 | -13.7 | 0 | 0 | 0 | 115.6 | N995 M999 | N995-N997 PolarHBondContact O-N 2.98Å; N997-M999 VanDerWaalsContact C-N 3.29Å; N997-M999 PolarHBondContact O-N 2.61Å | ||
| 998 | N | 40.5 | Very low | 35 | Very low | 52 Ų | 52 | 94.6 Ų | 94.6 | 28% | 0.278 | 48% | 0.478 | S | S | . | . | trans | -72 | 16.4 | -160.5 | -66 | -0.3 | 0 | 0 | 0 | 118.9 | K941 Y967 N995 | K941-N998 HydrophobicContact CB-CB 4.01Å; K941-N998 HydrophobicContact CD-CB 4.1Å; K941-N998 HydrophobicContact CG-CB 4.12Å; Y967-N998 HydrophobicContact CD1-CB 4.27Å; Y967-N998 HydrophobicContact CE1-CB 4.06Å; N995-N998 PolarHBondContact O-OD1 3.05Å | ||
| 999 | M | 37 | Very low | 35.5 | Very low | 87 Ų | 87 | 90.5 Ų | 90.5 | 43% | 0.429 | 46% | 0.464 | S | S | . | . | trans | -123.9 | 130.5 | 174.9 | -60.8 | -156.1 | -34.4 | 0 | 0 | 112.8 | N997 C1001 F1034 | N997-M999 VanDerWaalsContact C-N 3.29Å; N997-M999 PolarHBondContact O-N 2.61Å; M999-C1001 PolarHBondContact O-N 3.06Å; M999-F1034 HydrophobicContact CE-CE1 4.45Å; M999-F1034 HydrophobicContact CE-CE2 3.7Å; M999-F1034 HydrophobicContact CE-CZ 3.54Å; M999-F1034 HydrophobicContact SD-CE1 3.93Å; M999-F1034 HydrophobicContact SD-CE2 4.25Å; M999-F1034 HydrophobicContact SD-CZ 3.49Å; M999-F1034 WeakPolarHBondContact SD-CZ 3.12Å | ||
| 1000 | L | 42.2 | Very low | 36 | Very low | 75 Ų | 75 | 91.3 Ų | 91.3 | 39% | 0.393 | 47% | 0.473 | S | S | . | . | trans | -86 | 100 | 170.5 | -80.4 | 160.7 | 0 | 0 | 0 | 109.9 | A968 H1002 L1018 | A968-L1000 HydrophobicContact CB-CD1 4.09Å; A968-L1000 HydrophobicContact CB-CD2 3.9Å; A968-L1000 HydrophobicContact CB-CG 4.3Å; L1000-H1002 PolarHBondContact O-N 2.68Å; L1000-L1018 HydrophobicContact CD1-CD2 4.04Å | ||
| 1001 | C | 38.1 | Very low | 36.9 | Very low | 99 Ų | 99 | 90 Ų | 90 | 67% | 0.669 | 48% | 0.475 | S | S | * | . | trans | -80.2 | 107.7 | 169.2 | -63.2 | 0 | 0 | 0 | 0 | 109.8 | M999 | M999-C1001 PolarHBondContact O-N 3.06Š| ||
| 1002 | H | 36.2 | Very low | 37.8 | Very low | 133 Ų | 133 | 87.7 Ų | 87.7 | 62% | 0.616 | 47% | 0.471 | S | S | * | . | trans | -90.7 | 125.2 | 172.1 | -157.3 | -51 | 0 | 0 | 0 | 111.4 | L1000 M1004 | L1000-H1002 PolarHBondContact O-N 2.68Å; H1002-M1004 PolarHBondContact O-N 3.23Å | ||
| 1003 | R | 38.4 | Very low | 39 | Very low | 101 Ų | 101 | 85.6 Ų | 85.6 | 38% | 0.381 | 45% | 0.453 | S | S | . | . | trans | -48.3 | 112.1 | 174 | -166.8 | -176.7 | -171.3 | 172.2 | 7.3 | 112.2 | N1093 | R1003-N1093 PolarHBondContact NE-O 3.08Å; R1003-N1093 VanDerWaalsContact NH2-CA 3.29Å; R1003-N1093 PolarHBondContact NH2-O 3.4Å; R1003-N1093 PolarHBondContact NH2-OD1 2.82Å | ||
| 1004 | M | 31.1 | Very low | 40.7 | Very low | 92 Ų | 92 | 84.4 Ų | 84.4 | 45% | 0.453 | 44% | 0.436 | S | S | . | . | trans | -99.5 | 101 | 165.4 | -86 | 173.3 | 163 | 0 | 0 | 108.4 | H1002 K1006 G1007 G1008 S1009 | H1002-M1004 PolarHBondContact O-N 3.23Å; M1004-K1006 PolarHBondContact O-N 3.08Å; M1004-K1006 VanDerWaalsContact O-N 3.16Å; M1004-G1007 VanDerWaalsContact CB-O 3.23Å; M1004-G1007 WeakPolarHBondContact CB-O 3.24Å; M1004-G1007 WeakPolarHBondContact CG-O 3.5Å; M1004-G1008 VanDerWaalsContact SD-CA 3.56Å; M1004-S1009 PolarHBondContact SD-N 3.27Å | ||
| 1005 | N | 37.2 | Very low | 42.7 | Very low | 81 Ų | 81 | 76.1 Ų | 76.1 | 43% | 0.433 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -70.5 | -5.9 | -173.6 | -100.1 | -25.8 | 0 | 0 | 0 | 114.5 | N1094 | N1005-N1094 PolarHBondContact OD1-ND2 3.42Å; N1005-N1094 VanDerWaalsContact OD1-ND2 3.14Å |
| 1006 | K | 34.2 | Very low | 44.7 | Very low | 147 Ų | 147 | 71.8 Ų | 71.8 | 64% | 0.639 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -160.5 | 6.5 | 173 | -113.8 | 167.4 | -167 | -170.9 | 0 | 118.9 | V816 D817 M1004 | V816-K1006 HydrophobicContact CG1-CB 4.41Å; V816-K1006 WeakPolarHBondContact CG1-O 3.29Å; D817-K1006 WeakPolarHBondContact OD2-CB 3.29Å; M1004-K1006 PolarHBondContact O-N 3.08Å; M1004-K1006 VanDerWaalsContact O-N 3.16Å |
| 1007 | G | 35.4 | Very low | 46.8 | Very low | 19 Ų | 19 | 65.2 Ų | 65.2 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -173.2 | 149.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1004 | M1004-G1007 VanDerWaalsContact CB-O 3.23Å; M1004-G1007 WeakPolarHBondContact CB-O 3.24Å; M1004-G1007 WeakPolarHBondContact CG-O 3.5Å | ||
| 1008 | G | 34.6 | Very low | 48.2 | Very low | 37 Ų | 37 | 62.8 Ų | 62.8 | 38% | 0.381 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 165.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1004 A1010 | M1004-G1008 VanDerWaalsContact SD-CA 3.56Å; G1008-A1010 PolarHBondContact O-N 3.06Å |
| 1009 | S | 41.8 | Very low | 49.5 | Very low | 39 Ų | 39 | 61.7 Ų | 61.7 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 127.3 | 166.2 | 50.7 | 0 | 0 | 0 | 0 | 109.4 | M1004 D1013 | M1004-S1009 PolarHBondContact SD-N 3.27Å; S1009-D1013 VanDerWaalsContact CA-OD2 3.25Å; S1009-D1013 WeakPolarHBondContact CA-OD2 3.38Å |
| 1010 | A | 46.1 | Very low | 50.8 | Low | 30 Ų | 30 | 60 Ų | 60 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 165.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | R814 G1008 G1012 D1013 | R814-A1010 HydrophobicContact CG-CB 4.26Å; G1008-A1010 PolarHBondContact O-N 3.06Å; A1010-G1012 PolarHBondContact O-N 3.42Å; A1010-G1012 VanDerWaalsContact O-N 3.1Å; A1010-D1013 PolarHBondContact N-OD2 3.36Å; A1010-D1013 PolarHBondContact O-N 2.94Å |
| 1011 | E | 49.7 | Very low | 51.8 | Low | 168 Ų | 168 | 61.5 Ų | 61.5 | 79% | 0.785 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 120.6 | 165.5 | -74.6 | -178.9 | 161 | 0 | 0 | 109.9 | R814 | R814-E1011 PolarHBondContact NH2-O 2.77Š|
| 1012 | G | 53.7 | Low | 52.5 | Low | 15 Ų | 15 | 60.5 Ų | 60.5 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 118.6 | -19.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | L842 C843 G844 A1010 | L842-G1012 WeakPolarHBondContact O-CA 3.35Å; C843-G1012 CarbonylContact C-O 3.57Å; G844-G1012 PolarHBondContact N-O 3.22Å; G844-G1012 VanDerWaalsContact N-O 3.11Å; A1010-G1012 PolarHBondContact O-N 3.42Å; A1010-G1012 VanDerWaalsContact O-N 3.1Å |
| 1013 | D | 58.2 | Low | 53.5 | Low | 35 Ų | 35 | 60.7 Ų | 60.7 | 19% | 0.187 | 33% | 0.332 | C | S | . | . | trans | -83.2 | -25.5 | -172 | -64.8 | -22.4 | 0 | 0 | 0 | 113.1 | S1009 A1010 G1015 G1016 I1032 | S1009-D1013 VanDerWaalsContact CA-OD2 3.25Å; S1009-D1013 WeakPolarHBondContact CA-OD2 3.38Å; A1010-D1013 PolarHBondContact N-OD2 3.36Å; A1010-D1013 PolarHBondContact O-N 2.94Å; D1013-G1015 PolarHBondContact O-N 3.26Å; D1013-G1016 PolarHBondContact O-N 3.12Å; D1013-G1016 VanDerWaalsContact O-N 3.07Å; D1013-I1032 WeakPolarHBondContact O-CB 3.29Å | ||
| 1014 | S | 68.8 | Low | 54.4 | Low | 28 Ų | 28 | 61.1 Ų | 61.1 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 131 | 175.2 | -69.9 | 0 | 0 | 0 | 0 | 111.5 | C843 G844 H864 G1016 S1033 | C843-S1014 CarbonylContact C-O 3.23Å; C843-S1014 WeakPolarHBondContact CA-O 3.4Å; C843-S1014 WeakPolarHBondContact CB-O 3.49Å; G844-S1014 PolarHBondContact N-O 3.06Å; H864-S1014 WeakPolarHBondContact NE2-CB 3.31Å; H864-S1014 PolarHBondContact NE2-OG 2.89Å; S1014-G1016 VanDerWaalsContact C-N 3.35Å; S1014-S1033 PolarHBondContact OG-O 3.25Å |
| 1015 | G | 71.9 | Confident | 55.6 | Low | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -9.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G844 G845 T861 D1013 I1031 I1032 | G844-G1015 VanDerWaalsContact C-C 3.44Å; G844-G1015 CarbonylContact C-O 3.55Å; G844-G1015 CarbonylContact O-C 3.44Å; G844-G1015 VanDerWaalsContact O-CA 3.29Å; G844-G1015 WeakPolarHBondContact O-CA 3.28Å; G845-G1015 WeakPolarHBondContact CA-O 3.19Å; T861-G1015 WeakPolarHBondContact OG1-CA 3.27Å; D1013-G1015 PolarHBondContact O-N 3.26Å; G1015-I1031 VanDerWaalsContact CA-CG2 3.49Å; G1015-I1032 PolarHBondContact N-O 2.62Å |
| 1016 | G | 73.6 | Confident | 57 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | trans | -68.8 | 153.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1013 S1014 I1031 I1032 | D1013-G1016 PolarHBondContact O-N 3.12Å; D1013-G1016 VanDerWaalsContact O-N 3.07Å; S1014-G1016 VanDerWaalsContact C-N 3.35Å; G1016-I1031 WeakPolarHBondContact O-CA 3.43Å; G1016-I1032 PolarHBondContact O-N 3.23Å | ||
| 1017 | P | 75.7 | Confident | 58.5 | Low | 25 Ų | 25 | 53 Ų | 53 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 147.9 | 179.8 | 35.8 | -39.7 | 0 | 0 | 0 | 112.3 | S846 I1028 G1030 | S846-P1017 VanDerWaalsContact OG-CB 3.24Å; S846-P1017 WeakPolarHBondContact OG-CB 3.5Å; S846-P1017 VanDerWaalsContact OG-CD 3.24Å; S846-P1017 WeakPolarHBondContact OG-CD 3.27Å; S846-P1017 WeakPolarHBondContact OG-CG 3.32Å; P1017-I1028 HydrophobicContact CB-CD1 4.15Å; P1017-I1028 HydrophobicContact CB-CG1 4.14Å; P1017-I1028 HydrophobicContact CB-CG2 4.16Å; P1017-G1030 CarbonylContact C-O 3.58Å |
| 1018 | L | 68.6 | Low | 59.9 | Low | 53 Ų | 53 | 52.7 Ų | 52.7 | 28% | 0.277 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 98.3 | 152.8 | -179.8 | 69.4 | 0 | 0 | 0 | 108 | L1000 I1028 Y1029 G1030 | L1000-L1018 HydrophobicContact CD1-CD2 4.04Å; L1018-I1028 CarbonylContact O-C 3.49Å; L1018-I1028 WeakPolarHBondContact O-CA 3.31Å; L1018-Y1029 PolarHBondContact O-N 2.04Å; L1018-G1030 PolarHBondContact N-O 2.82Å |
| 1019 | A | 67.7 | Low | 61.3 | Low | 28 Ų | 28 | 52.8 Ų | 52.8 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y1026 V1027 | A1019-Y1026 HydrophobicContact CB-CD1 4.26Å; A1019-V1027 CarbonylContact C-O 3.43Å; A1019-V1027 VanDerWaalsContact CA-O 3.32Å; A1019-V1027 WeakPolarHBondContact CA-O 3.35Å |
| 1020 | C | 63.5 | Low | 62.3 | Low | 52 Ų | 52 | 51.8 Ų | 51.8 | 35% | 0.351 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 145.5 | 178 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | Y1026 V1027 Y1029 | C1020-Y1026 WeakPolarHBondContact O-CA 2.96Å; C1020-V1027 PolarHBondContact N-O 3.42Å; C1020-V1027 PolarHBondContact O-N 2.96Å; C1020-Y1029 HydrophobicContact CB-CD2 3.61Å; C1020-Y1029 HydrophobicContact CB-CE2 3.58Å |
| 1021 | M | 63.6 | Low | 63.3 | Low | 107 Ų | 107 | 52 Ų | 52 | 53% | 0.527 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.5 | 177.7 | -163.4 | -167.8 | -47.7 | 0 | 0 | 110.5 | K1025 Y1026 | M1021-K1025 CarbonylContact C-O 3.56Å; M1021-K1025 WeakPolarHBondContact CA-O 3.46Å; M1021-Y1026 HydrophobicContact CB-CE1 4.21Å; M1021-Y1026 HydrophobicContact CE-CE2 4.25Å; M1021-Y1026 VanDerWaalsContact CE-OH 3.32Å; M1021-Y1026 WeakPolarHBondContact CE-OH 3.03Å; M1021-Y1026 HydrophobicContact CG-CE2 4.47Å |
| 1022 | K | 52.2 | Low | 64.1 | Low | 78 Ų | 78 | 47.3 Ų | 47.3 | 34% | 0.339 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 124.6 | 172.8 | -177.2 | 173.4 | -178.2 | 172.2 | 0 | 108.1 | D1024 K1025 V1027 Y1029 | K1022-D1024 PolarHBondContact O-N 2.9Å; K1022-K1025 PolarHBondContact N-O 3.04Å; K1022-K1025 PolarHBondContact O-N 3.3Å; K1022-V1027 HydrophobicContact CB-CG2 4.49Å; K1022-Y1029 WeakPolarHBondContact CD-OH 3.49Å |
| 1023 | D | 57.3 | Low | 64.4 | Low | 137 Ų | 137 | 47.6 Ų | 47.6 | 73% | 0.733 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 49.8 | 179.8 | -52.6 | -41.9 | 0 | 0 | 0 | 113.8 | K1025 | D1023-K1025 PolarHBondContact O-N 3.3Š|
| 1024 | D | 57.5 | Low | 63.8 | Low | 109 Ų | 109 | 51.2 Ų | 51.2 | 58% | 0.583 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 21.1 | -172 | -60.5 | -25 | 0 | 0 | 0 | 115.2 | K800 K1022 | K800-D1024 WeakPolarHBondContact CE-O 3.05Å; K800-D1024 WeakPolarHBondContact CG-O 3.21Å; K800-D1024 IonicContact NZ-OD2 3.64Å; K1022-D1024 PolarHBondContact O-N 2.9Å |
| 1025 | K | 56.8 | Low | 62.4 | Low | 80 Ų | 80 | 53.3 Ų | 53.3 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.4 | 176.5 | -59.7 | 179.1 | -172.1 | -176.3 | 0 | 111.5 | I797 C798 G799 M1021 K1022 D1023 | I797-K1025 HydrophobicContact CG2-CD 4.19Å; I797-K1025 HydrophobicContact CG2-CG 4.16Å; C798-K1025 WeakPolarHBondContact O-CD 2.94Å; C798-K1025 WeakPolarHBondContact O-CG 3.38Å; G799-K1025 CarbonylContact O-C 3.5Å; G799-K1025 WeakPolarHBondContact O-CA 3.43Å; M1021-K1025 CarbonylContact C-O 3.56Å; M1021-K1025 WeakPolarHBondContact CA-O 3.46Å; K1022-K1025 PolarHBondContact N-O 3.04Å; K1022-K1025 PolarHBondContact O-N 3.3Å; D1023-K1025 PolarHBondContact O-N 3.3Å |
| 1026 | Y | 66.5 | Low | 60.7 | Low | 39 Ų | 39 | 57.6 Ų | 57.6 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 124 | 170 | -75.7 | -89 | 0 | 0 | 0 | 110.8 | G799 P801 P805 W828 A1019 C1020 M1021 | G799-Y1026 WeakPolarHBondContact CA-O 3.43Å; G799-Y1026 WeakPolarHBondContact O-CD2 3.47Å; G799-Y1026 PolarHBondContact O-N 2.55Å; P801-Y1026 HydrophobicContact CG-CD2 4.12Å; P801-Y1026 HydrophobicContact CG-CE2 3.97Å; P805-Y1026 HydrophobicContact CG-CE2 4.15Å; P805-Y1026 WeakPolarHBondContact CG-OH 3.24Å; W828-Y1026 AromaticContact CH2-CD2 3.87Å; W828-Y1026 HydrophobicContact CH2-CD2 3.87Å; W828-Y1026 AromaticContact CH2-CG 3.78Å; W828-Y1026 HydrophobicContact CH2-CG 3.78Å; W828-Y1026 HydrophobicContact CZ2-CD1 4.36Å; W828-Y1026 HydrophobicContact CZ2-CD2 4.41Å; W828-Y1026 AromaticContact CZ2-CG 3.93Å; W828-Y1026 HydrophobicContact CZ2-CG 3.93Å; A1019-Y1026 HydrophobicContact CB-CD1 4.26Å; C1020-Y1026 WeakPolarHBondContact O-CA 2.96Å; M1021-Y1026 HydrophobicContact CB-CE1 4.21Å; M1021-Y1026 HydrophobicContact CE-CE2 4.25Å; M1021-Y1026 VanDerWaalsContact CE-OH 3.32Å; M1021-Y1026 WeakPolarHBondContact CE-OH 3.03Å; M1021-Y1026 HydrophobicContact CG-CE2 4.47Å |
| 1027 | V | 64.9 | Low | 58.7 | Low | 30 Ų | 30 | 65.3 Ų | 65.3 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 137.5 | 177 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | F966 A1019 C1020 K1022 Y1029 | F966-V1027 HydrophobicContact CD2-CG1 4.34Å; F966-V1027 HydrophobicContact CE2-CG1 4.49Å; A1019-V1027 CarbonylContact C-O 3.43Å; A1019-V1027 VanDerWaalsContact CA-O 3.32Å; A1019-V1027 WeakPolarHBondContact CA-O 3.35Å; C1020-V1027 PolarHBondContact N-O 3.42Å; C1020-V1027 PolarHBondContact O-N 2.96Å; K1022-V1027 HydrophobicContact CB-CG2 4.49Å; V1027-Y1029 HydrophobicContact CB-CD2 4.49Å; V1027-Y1029 HydrophobicContact CB-CE2 3.91Å; V1027-Y1029 HydrophobicContact CG1-CE2 4.26Å; V1027-Y1029 WeakPolarHBondContact O-CD2 3.35Å |
| 1028 | I | 64.6 | Low | 57.1 | Low | 14 Ų | 14 | 65.2 Ų | 65.2 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 121.3 | 177.3 | -60.7 | 175.6 | 0 | 0 | 0 | 109.1 | I848 V963 P1017 L1018 | I848-I1028 HydrophobicContact CG2-CD1 3.98Å; V963-I1028 HydrophobicContact CG2-CD1 4.42Å; P1017-I1028 HydrophobicContact CB-CD1 4.15Å; P1017-I1028 HydrophobicContact CB-CG1 4.14Å; P1017-I1028 HydrophobicContact CB-CG2 4.16Å; L1018-I1028 CarbonylContact O-C 3.49Å; L1018-I1028 WeakPolarHBondContact O-CA 3.31Å |
| 1029 | Y | 63.8 | Low | 56.6 | Low | 38 Ų | 38 | 65.2 Ų | 65.2 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -12.5 | 178.9 | -76.7 | -91.4 | 0 | 0 | 0 | 113.7 | F966 L977 L1018 C1020 K1022 V1027 | F966-Y1029 HydrophobicContact CB-CD1 4.39Å; F966-Y1029 HydrophobicContact CB-CE1 4.47Å; L977-Y1029 HydrophobicContact CD1-CE1 4.23Å; L977-Y1029 HydrophobicContact CD2-CE1 4.35Å; L1018-Y1029 PolarHBondContact O-N 2.04Å; C1020-Y1029 HydrophobicContact CB-CD2 3.61Å; C1020-Y1029 HydrophobicContact CB-CE2 3.58Å; K1022-Y1029 WeakPolarHBondContact CD-OH 3.49Å; V1027-Y1029 HydrophobicContact CB-CD2 4.49Å; V1027-Y1029 HydrophobicContact CB-CE2 3.91Å; V1027-Y1029 HydrophobicContact CG1-CE2 4.26Å; V1027-Y1029 WeakPolarHBondContact O-CD2 3.35Å |
| 1030 | G | 64.9 | Low | 57.3 | Low | 19 Ų | 19 | 64.1 Ų | 64.1 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.9 | 176.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1017 L1018 | P1017-G1030 CarbonylContact C-O 3.58Å; L1018-G1030 PolarHBondContact N-O 2.82Å |
| 1031 | I | 66.9 | Low | 58.3 | Low | 35 Ų | 35 | 61.6 Ų | 61.6 | 18% | 0.179 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139 | 176 | -52.9 | 179.9 | 0 | 0 | 0 | 108.3 | L860 T861 A862 I944 G1015 G1016 S1033 | L860-I1031 HydrophobicContact CD1-CD1 3.96Å; L860-I1031 HydrophobicContact CD2-CD1 3.8Å; L860-I1031 HydrophobicContact CD2-CG1 4.15Å; L860-I1031 HydrophobicContact CG-CD1 3.48Å; L860-I1031 VanDerWaalsContact CG-CD1 3.48Å; L860-I1031 HydrophobicContact CG-CG1 4.28Å; T861-I1031 VanDerWaalsContact O-CD1 3.3Å; T861-I1031 WeakPolarHBondContact O-CD1 3.47Å; A862-I1031 HydrophobicContact CB-CG2 4.2Å; I944-I1031 HydrophobicContact CB-CD1 4.31Å; I944-I1031 HydrophobicContact CD1-CD1 4.48Å; I944-I1031 HydrophobicContact CG1-CD1 3.97Å; I944-I1031 HydrophobicContact CG2-CD1 3.82Å; G1015-I1031 VanDerWaalsContact CA-CG2 3.49Å; G1016-I1031 WeakPolarHBondContact O-CA 3.43Å; I1031-S1033 PolarHBondContact O-N 3.48Å |
| 1032 | I | 66.3 | Low | 59.2 | Low | 69 Ų | 69 | 60.9 Ų | 60.9 | 35% | 0.354 | 32% | 0.315 | S | S | . | . | trans | -69.6 | 119.7 | 175.2 | -60.6 | 171.5 | 0 | 0 | 0 | 109.1 | D1013 G1015 G1016 | D1013-I1032 WeakPolarHBondContact O-CB 3.29Å; G1015-I1032 PolarHBondContact N-O 2.62Å; G1016-I1032 PolarHBondContact O-N 3.23Å | ||
| 1033 | S | 58.3 | Low | 60.6 | Low | 20 Ų | 20 | 58.5 Ų | 58.5 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | trans | -104.4 | -91.4 | -176.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | H864 D943 S1014 I1031 | H864-S1033 PolarHBondContact CE1-O 2.86Å; D943-S1033 WeakPolarHBondContact CB-OG 3.47Å; D943-S1033 VanDerWaalsContact OD2-CB 3.24Å; D943-S1033 WeakPolarHBondContact OD2-CB 3.24Å; D943-S1033 PolarHBondContact OD2-OG 2.72Å; S1014-S1033 PolarHBondContact OG-O 3.25Å; I1031-S1033 PolarHBondContact O-N 3.48Å | ||
| 1034 | F | 46.7 | Very low | 61.7 | Low | 112 Ų | 112 | 59.9 Ų | 59.9 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | trans | -129.8 | 148.5 | 177.6 | 49.9 | -93.8 | 0 | 0 | 0 | 112.6 | M999 V1036 | M999-F1034 HydrophobicContact CE-CE1 4.45Å; M999-F1034 HydrophobicContact CE-CE2 3.7Å; M999-F1034 HydrophobicContact CE-CZ 3.54Å; M999-F1034 HydrophobicContact SD-CE1 3.93Å; M999-F1034 HydrophobicContact SD-CE2 4.25Å; M999-F1034 HydrophobicContact SD-CZ 3.49Å; M999-F1034 WeakPolarHBondContact SD-CZ 3.12Å; F1034-V1036 HydrophobicContact CD2-CG2 3.95Å; F1034-V1036 HydrophobicContact CE2-CG2 4.15Å | ||
| 1035 | S | 38.6 | Very low | 62.9 | Low | 71 Ų | 71 | 57.8 Ų | 57.8 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | trans | -97.9 | 131.3 | 172.1 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1036 | V | 36.8 | Very low | 63.9 | Low | 91 Ų | 91 | 58.4 Ų | 58.4 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | trans | -108.7 | 109 | 171.4 | -163.5 | 0 | 0 | 0 | 0 | 106.8 | F1034 A1038 N1096 | F1034-V1036 HydrophobicContact CD2-CG2 3.95Å; F1034-V1036 HydrophobicContact CE2-CG2 4.15Å; V1036-A1038 PolarHBondContact O-N 3.18Å; V1036-N1096 PolarHBondContact O-ND2 2.99Å | ||
| 1037 | E | 32.4 | Very low | 64.2 | Low | 165 Ų | 165 | 56.6 Ų | 56.6 | 77% | 0.771 | 29% | 0.29 | S | S | * | . | trans | -66.9 | 100.9 | 176.7 | -72.8 | -172.8 | 145.1 | 0 | 0 | 110.4 | ||||
| 1038 | A | 41 | Very low | 64.4 | Low | 22 Ų | 22 | 57.6 Ų | 57.6 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | trans | -122.2 | 95 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | V1036 N1096 Y1197 | V1036-A1038 PolarHBondContact O-N 3.18Å; A1038-N1096 HydrophobicContact CB-CB 4.14Å; A1038-N1096 WeakPolarHBondContact CB-OD1 3.27Å; A1038-N1096 PolarHBondContact O-OD1 3.08Å; A1038-Y1197 HydrophobicContact CB-CD2 4.22Å | ||
| 1039 | I | 58.1 | Low | 63.9 | Low | 53 Ų | 53 | 60.1 Ų | 60.1 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | trans | -92.5 | 129.6 | 176.4 | -54.3 | 172.5 | 0 | 0 | 0 | 106.6 | K1042 | I1039-K1042 HydrophobicContact CD1-CD 4.47Š| ||
| 1040 | C | 83.1 | Confident | 62.9 | Low | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 147.9 | 175.1 | 69 | 0 | 0 | 0 | 0 | 111.6 | K1042 D1091 N1094 G1203 C1205 | C1040-K1042 PolarHBondContact O-N 2.95Å; C1040-K1042 VanDerWaalsContact O-N 3.14Å; C1040-D1091 HydrophobicContact CB-CB 3.74Å; C1040-N1094 PolarHBondContact SG-OD1 3.17Å; C1040-G1203 WeakPolarHBondContact CA-O 3.38Å; C1040-C1205 HydrophobicContact CB-CB 4.09Å; C1040-C1205 WeakPolarHBondContact CB-SG 3.49Å; C1040-C1205 PolarHBondContact O-SG 3.39Å; C1040-C1205 VanDerWaalsContact SG-CA 3.53Å; C1040-C1205 WeakPolarHBondContact SG-CB 3.4Å; C1040-C1205 CovalentContact SG-SG 2.05Å; C1040-C1205 PolarHBondContact SG-SG 3.03Å |
| 1041 | G | 83.9 | Confident | 61.8 | Low | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 13 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116 | P1043 G1203 R1295 Y1296 | G1041-P1043 WeakPolarHBondContact O-CD 3.4Å; G1041-G1203 PolarHBondContact N-O 3.49Å; G1041-R1295 CarbonylContact O-C 3.54Å; G1041-R1295 WeakPolarHBondContact O-CA 3.29Å; G1041-Y1296 WeakPolarHBondContact CA-O 3.37Å; G1041-Y1296 PolarHBondContact O-N 3.34Å |
| 1042 | K | 82.3 | Confident | 60.3 | Low | 92 Ų | 92 | 84.1 Ų | 84.1 | 40% | 0.4 | 41% | 0.41 | S | S | . | . | trans | -111.3 | 85.8 | 173.5 | -86.8 | -165.9 | 169.8 | -171.5 | 0 | 111.4 | I1039 C1040 Q1202 R1295 | I1039-K1042 HydrophobicContact CD1-CD 4.47Å; C1040-K1042 PolarHBondContact O-N 2.95Å; C1040-K1042 VanDerWaalsContact O-N 3.14Å; K1042-Q1202 PolarHBondContact O-OE1 3.35Å; K1042-R1295 HydrophobicContact CG-CG 4.3Å | ||
| 1043 | P | 82.7 | Confident | 58.6 | Low | 27 Ų | 27 | 93 Ų | 93 | 18% | 0.175 | 44% | 0.439 | C | S | . | . | trans | -66.3 | 146.5 | -178.9 | 31.1 | -35.6 | 0 | 0 | 0 | 111.3 | G1041 F1045 S1067 P1069 W1070 Y1296 | G1041-P1043 WeakPolarHBondContact O-CD 3.4Å; P1043-F1045 VanDerWaalsContact C-N 3.32Å; P1043-F1045 WeakPolarHBondContact CB-O 3.47Å; P1043-S1067 WeakPolarHBondContact CB-O 3.46Å; P1043-P1069 HydrophobicContact CB-CG 3.86Å; P1043-W1070 HydrophobicContact CB-CH2 4.17Å; P1043-W1070 HydrophobicContact CB-CZ3 4.21Å; P1043-W1070 HydrophobicContact CG-CH2 3.96Å; P1043-W1070 HydrophobicContact CG-CZ3 4.34Å; P1043-Y1296 HydrophobicContact CG-CD2 4.1Å; P1043-Y1296 HydrophobicContact CG-CE2 4.05Å | ||
| 1044 | Y | 79.2 | Confident | 57.4 | Low | 166 Ų | 166 | 98.9 Ų | 98.9 | 65% | 0.651 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -68.8 | -33.6 | 174.7 | -170.8 | -86.2 | 0 | 0 | 0 | 111.9 | K1199 | Y1044-K1199 HydrophobicContact CD2-CB 4.47Å; Y1044-K1199 HydrophobicContact CG-CB 4.21Å |
| 1045 | F | 82.5 | Confident | 56.7 | Low | 65 Ų | 65 | 100.8 Ų | 100.8 | 29% | 0.285 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -107.3 | 120.7 | 175.3 | -54.5 | -80.5 | 0 | 0 | 0 | 108.8 | P1043 H1066 S1067 Y1200 | P1043-F1045 VanDerWaalsContact C-N 3.32Å; P1043-F1045 WeakPolarHBondContact CB-O 3.47Å; F1045-H1066 HydrophobicContact CD2-CB 3.96Å; F1045-H1066 HydrophobicContact CE2-CB 4.2Å; F1045-S1067 VanDerWaalsContact O-CA 3.23Å; F1045-S1067 WeakPolarHBondContact O-CA 3.42Å; F1045-S1067 WeakPolarHBondContact O-CB 3.33Å; F1045-Y1200 AromaticContact CE2-CD1 3.93Å; F1045-Y1200 HydrophobicContact CE2-CD1 3.93Å; F1045-Y1200 AromaticContact CE2-CE1 3.97Å; F1045-Y1200 HydrophobicContact CE2-CE1 3.97Å; F1045-Y1200 HydrophobicContact CZ-CE1 4.23Å |
| 1046 | D | 77.6 | Confident | 56.3 | Low | 94 Ų | 94 | 107.9 Ų | 107.9 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | trans | -67.5 | 132.4 | 178.7 | -164.5 | -9.4 | 0 | 0 | 0 | 109.9 | V1048 | D1046-V1048 PolarHBondContact O-N 3.15Å; D1046-V1048 VanDerWaalsContact O-N 3.09Å; D1046-V1048 WeakPolarHBondContact OD1-CG2 3.34Å | ||
| 1047 | P | 74.5 | Confident | 56.1 | Low | 0 Ų | 0 | 110.1 Ų | 110.1 | 0% | 0 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -63.6 | -7.7 | 177.2 | 22.7 | -36.3 | 0 | 0 | 0 | 115.5 | P1049 H1068 F1221 Q1249 Y1296 | P1047-P1049 WeakPolarHBondContact O-CD 3.29Å; P1047-H1068 WeakPolarHBondContact CB-NE2 3.39Å; P1047-F1221 HydrophobicContact CG-CE2 4.43Å; P1047-Q1249 PolarHBondContact O-NE2 2.89Å; P1047-Q1249 PolarHBondContact O-OE1 2.7Å; P1047-Y1296 HydrophobicContact CG-CE1 4.27Å; P1047-Y1296 HydrophobicContact CG-CE2 4.05Å; P1047-Y1296 WeakPolarHBondContact CG-OH 3.37Å |
| 1048 | V | 67.8 | Low | 56.5 | Low | 52 Ų | 52 | 105.3 Ų | 105.3 | 32% | 0.315 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -78.5 | 124.8 | 174.1 | -157.2 | 0 | 0 | 0 | 0 | 111.2 | D1046 E1050 | D1046-V1048 PolarHBondContact O-N 3.15Å; D1046-V1048 VanDerWaalsContact O-N 3.09Å; D1046-V1048 WeakPolarHBondContact OD1-CG2 3.34Å; V1048-E1050 PolarHBondContact O-N 2.83Å |
| 1049 | P | 54.4 | Low | 57 | Low | 67 Ų | 67 | 111.6 Ų | 111.6 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | trans | -70 | 128.9 | 167.8 | -1.3 | 14.3 | 0 | 0 | 0 | 110.6 | P1047 Y1051 F1061 | P1047-P1049 WeakPolarHBondContact O-CD 3.29Å; P1049-Y1051 PolarHBondContact O-N 2.86Å; P1049-Y1051 VanDerWaalsContact O-N 3.13Å; P1049-F1061 HydrophobicContact CG-CD2 4.24Å; P1049-F1061 HydrophobicContact CG-CE2 3.88Å | ||
| 1050 | E | 44 | Very low | 57 | Low | 194 Ų | 194 | 110.5 Ų | 110.5 | 91% | 0.907 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -60.6 | 110 | 159.1 | -77.5 | -176.6 | 160.4 | 0 | 0 | 108.4 | V1048 | V1048-E1050 PolarHBondContact O-N 2.83Š|
| 1051 | Y | 39.9 | Very low | 56.5 | Low | 221 Ų | 221 | 113.8 Ų | 113.8 | 87% | 0.867 | 52% | 0.524 | S | S | * | . | S | Bend | trans | 46.5 | 105.7 | 163.1 | -96.2 | -94.5 | 0 | 0 | 0 | 118.6 | P1049 | P1049-Y1051 PolarHBondContact O-N 2.86Å; P1049-Y1051 VanDerWaalsContact O-N 3.13Å |
| 1052 | K | 35.9 | Very low | 56.1 | Low | 181 Ų | 181 | 118.2 Ų | 118.2 | 79% | 0.787 | 54% | 0.543 | S | S | * | . | 166.6 | 111.1 | 115.1 | -91.7 | 174.5 | -177.4 | 178.5 | 0 | 109.2 | N1054 | K1052-N1054 VanDerWaalsContact C-N 3.33Å; K1052-N1054 PolarHBondContact O-N 3.05Å | |||
| 1053 | W | 32 | Very low | 56.2 | Low | 254 Ų | 254 | 113.9 Ų | 113.9 | 96% | 0.962 | 53% | 0.525 | S | S | * | . | trans | -62.3 | 93.1 | 164.7 | -76.1 | 64.1 | 0 | 0 | 0 | 108.4 | ||||
| 1054 | N | 32.2 | Very low | 56.3 | Low | 145 Ų | 145 | 114.6 Ų | 114.6 | 78% | 0.775 | 53% | 0.529 | S | S | * | . | trans | -128.2 | 111.4 | 169.4 | -135.9 | -7.1 | 0 | 0 | 0 | 110 | K1052 R1056 | K1052-N1054 VanDerWaalsContact C-N 3.33Å; K1052-N1054 PolarHBondContact O-N 3.05Å; N1054-R1056 PolarHBondContact O-N 2.84Å; N1054-R1056 VanDerWaalsContact O-N 3.16Å | ||
| 1055 | N | 31.1 | Very low | 56.5 | Low | 151 Ų | 151 | 109.3 Ų | 109.3 | 81% | 0.807 | 52% | 0.515 | S | S | * | . | trans | -45.9 | 108 | -177.4 | -62.8 | -45.4 | 0 | 0 | 0 | 112.9 | ||||
| 1056 | R | 32 | Very low | 56.7 | Low | 221 Ų | 221 | 107.7 Ų | 107.7 | 83% | 0.834 | 51% | 0.508 | S | S | * | . | trans | -150.4 | 86.7 | 153.6 | -141.2 | 177.5 | -80.6 | -179.3 | -4.1 | 112.9 | N1054 | N1054-R1056 PolarHBondContact O-N 2.84Å; N1054-R1056 VanDerWaalsContact O-N 3.16Å | ||
| 1057 | I | 32.2 | Very low | 57.2 | Low | 137 Ų | 137 | 103.2 Ų | 103.2 | 70% | 0.703 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 75.2 | 109.7 | 133.8 | -55.9 | 175.2 | 0 | 0 | 0 | 118.1 | ||
| 1058 | V | 40.5 | Very low | 58.1 | Low | 64 Ų | 64 | 103.5 Ų | 103.5 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | S | Bend | trans | 54.8 | 55 | 173.1 | -152.5 | 0 | 0 | 0 | 0 | 117.2 | G1060 | V1058-G1060 VanDerWaalsContact C-N 3.29Å; V1058-G1060 PolarHBondContact O-N 2.85Å |
| 1059 | R | 50.2 | Low | 59.2 | Low | 155 Ų | 155 | 101.2 Ų | 101.2 | 59% | 0.585 | 47% | 0.472 | S | S | * | . | S | Bend | trans | 65.4 | -19.1 | 147.8 | -55.9 | -156.2 | -169.8 | 164.4 | -0.5 | 119.4 | F1250 N1275 G1276 | R1059-F1250 HydrophobicContact CB-CE2 4.12Å; R1059-F1250 WeakPolarHBondContact O-CD2 3.25Å; R1059-F1250 WeakPolarHBondContact O-CE2 2.8Å; R1059-N1275 WeakPolarHBondContact CD-O 3.4Å; R1059-N1275 PolarHBondContact NH1-O 2.84Å; R1059-G1276 VanDerWaalsContact CD-O 3.25Å; R1059-G1276 WeakPolarHBondContact CD-O 3.38Å; R1059-G1276 WeakPolarHBondContact CG-O 3.43Å |
| 1060 | G | 58.5 | Low | 61.1 | Low | 30 Ų | 30 | 98 Ų | 98 | 31% | 0.309 | 45% | 0.451 | S | S | . | . | trans | -79 | 158.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1058 | V1058-G1060 VanDerWaalsContact C-N 3.29Å; V1058-G1060 PolarHBondContact O-N 2.85Å | ||
| 1061 | F | 72.3 | Confident | 63.5 | Low | 73 Ų | 73 | 89.1 Ų | 89.1 | 32% | 0.32 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 154.8 | 171.2 | 54.7 | -80.5 | 0 | 0 | 0 | 110.9 | P1049 A1063 F1221 Q1248 Q1249 | P1049-F1061 HydrophobicContact CG-CD2 4.24Å; P1049-F1061 HydrophobicContact CG-CE2 3.88Å; F1061-A1063 PolarHBondContact O-N 3.45Å; F1061-F1221 HydrophobicContact CZ-CE1 4.45Å; F1061-Q1248 PolarHBondContact O-OE1 2.9Å; F1061-Q1249 WeakPolarHBondContact CD1-O 3.47Å; F1061-Q1249 HydrophobicContact CD2-CG 3.69Å; F1061-Q1249 HydrophobicContact CE1-CG 4.26Å; F1061-Q1249 VanDerWaalsContact CE2-CD 3.44Å; F1061-Q1249 HydrophobicContact CE2-CG 3.45Å; F1061-Q1249 VanDerWaalsContact CE2-CG 3.45Å; F1061-Q1249 HydrophobicContact CG-CG 4.24Å; F1061-Q1249 HydrophobicContact CZ-CG 3.73Å; F1061-Q1249 PolarHBondContact N-O 2.87Å; F1061-Q1249 PolarHBondContact O-N 3.14Å |
| 1062 | K | 77.1 | Confident | 66 | Low | 93 Ų | 93 | 78.6 Ų | 78.6 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 127 | 175.2 | -177 | -174.8 | 176.8 | 162.1 | 0 | 109.3 | H1155 E1246 | K1062-H1155 WeakPolarHBondContact CE-NE2 3.2Å; K1062-E1246 WeakPolarHBondContact CD-OE2 3.45Å; K1062-E1246 WeakPolarHBondContact CE-OE2 3.33Å; K1062-E1246 HydrophobicContact CG-CB 4.35Å; K1062-E1246 IonicContact NZ-OE1 2.72Å; K1062-E1246 PolarHBondContact NZ-OE1 3.33Å; K1062-E1246 IonicContact NZ-OE2 2.74Å; K1062-E1246 PolarHBondContact NZ-OE2 3.1Å |
| 1063 | A | 83.2 | Confident | 68.7 | Low | 2 Ų | 2 | 70.2 Ų | 70.2 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 144.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1061 H1155 L1247 Q1249 | F1061-A1063 PolarHBondContact O-N 3.45Å; A1063-H1155 PolarHBondContact O-CE1 2.99Å; A1063-L1247 HydrophobicContact CB-CB 4.26Å; A1063-L1247 HydrophobicContact CB-CD2 4.09Å; A1063-L1247 HydrophobicContact CB-CG 4.05Å; A1063-L1247 WeakPolarHBondContact CB-O 3.07Å; A1063-L1247 PolarHBondContact N-O 2.86Å; A1063-Q1249 HydrophobicContact CB-CB 4.13Å; A1063-Q1249 HydrophobicContact CB-CG 4.09Å |
| 1064 | V | 84.7 | Confident | 71.6 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 128.4 | 166.5 | 174.4 | 0 | 0 | 0 | 0 | 106.9 | H1066 S1067 | V1064-H1066 PolarHBondContact O-N 2.96Å; V1064-H1066 VanDerWaalsContact O-N 3.16Å; V1064-S1067 VanDerWaalsContact O-CB 3.28Å; V1064-S1067 WeakPolarHBondContact O-CB 3.27Å; V1064-S1067 PolarHBondContact O-N 2.83Å; V1064-S1067 PolarHBondContact O-OG 3.17Å |
| 1065 | P | 84.4 | Confident | 74.3 | Confident | 56 Ų | 56 | 53 Ų | 53 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 126.3 | -177.1 | -28.3 | 32.9 | 0 | 0 | 0 | 111.8 | S1067 | P1065-S1067 PolarHBondContact O-N 3.47Å; P1065-S1067 VanDerWaalsContact O-N 3.16Å |
| 1066 | H | 85.6 | Confident | 76.7 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 14.8 | 179.5 | -39.3 | -70.2 | 0 | 0 | 0 | 116.5 | F1045 V1064 H1068 E1161 T1163 Y1200 | F1045-H1066 HydrophobicContact CD2-CB 3.96Å; F1045-H1066 HydrophobicContact CE2-CB 4.2Å; V1064-H1066 PolarHBondContact O-N 2.96Å; V1064-H1066 VanDerWaalsContact O-N 3.16Å; H1066-H1068 PolarHBondContact O-N 3.3Å; H1066-E1161 IonicContact CE1-OE2 3.78Å; H1066-T1163 PolarHBondContact CE1-OG1 2.67Å; H1066-T1163 VanDerWaalsContact CE1-OG1 3.24Å; H1066-Y1200 HydrophobicContact CB-CD1 3.71Å; H1066-Y1200 HydrophobicContact CB-CG 4.45Å; H1066-Y1200 AromaticContact CD2-CD1 3.42Å; H1066-Y1200 VanDerWaalsContact CD2-CD1 3.42Å; H1066-Y1200 WeakPolarHBondContact CD2-CD1 3.44Å; H1066-Y1200 AromaticContact CD2-CE1 3.68Å; H1066-Y1200 AromaticContact CG-CD1 3.38Å; H1066-Y1200 AromaticContact ND1-CD1 3.89Å; H1066-Y1200 AromaticContact NE2-CD1 3.96Å |
| 1067 | S | 89.4 | Confident | 79 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -71.7 | -15.5 | 174.8 | 58.4 | 0 | 0 | 0 | 0 | 115.1 | P1043 F1045 V1064 P1065 P1069 | P1043-S1067 WeakPolarHBondContact CB-O 3.46Å; F1045-S1067 VanDerWaalsContact O-CA 3.23Å; F1045-S1067 WeakPolarHBondContact O-CA 3.42Å; F1045-S1067 WeakPolarHBondContact O-CB 3.33Å; V1064-S1067 VanDerWaalsContact O-CB 3.28Å; V1064-S1067 WeakPolarHBondContact O-CB 3.27Å; V1064-S1067 PolarHBondContact O-N 2.83Å; V1064-S1067 PolarHBondContact O-OG 3.17Å; P1065-S1067 PolarHBondContact O-N 3.47Å; P1065-S1067 VanDerWaalsContact O-N 3.16Å; S1067-P1069 VanDerWaalsContact O-CD 3.27Å; S1067-P1069 WeakPolarHBondContact O-CD 3.08Å |
| 1068 | H | 91.8 | Very high | 80.5 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -116.9 | 71.1 | 173.1 | -66.8 | -88.8 | 0 | 0 | 0 | 109.9 | P1047 H1066 W1070 Q1071 T1223 L1247 Q1249 | P1047-H1068 WeakPolarHBondContact CB-NE2 3.39Å; H1066-H1068 PolarHBondContact O-N 3.3Å; H1068-W1070 AromaticContact ND1-CZ2 3.91Å; H1068-W1070 AromaticContact ND1-NE1 3.84Å; H1068-W1070 PolarHBondContact O-N 3.21Å; H1068-W1070 VanDerWaalsContact O-N 3.08Å; H1068-Q1071 HydrophobicContact CB-CB 4.39Å; H1068-Q1071 WeakPolarHBondContact O-CB 3.35Å; H1068-Q1071 PolarHBondContact O-N 3.47Å; H1068-T1223 HydrophobicContact CB-CG2 4.46Å; H1068-L1247 HydrophobicContact CB-CD2 4.44Å; H1068-Q1249 PolarHBondContact NE2-OE1 2.9Å |
| 1069 | P | 91.7 | Very high | 81.4 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.4 | -168.7 | 31 | -39.2 | 0 | 0 | 0 | 114.1 | P1043 S1067 Y1200 I1201 Q1202 | P1043-P1069 HydrophobicContact CB-CG 3.86Å; S1067-P1069 VanDerWaalsContact O-CD 3.27Å; S1067-P1069 WeakPolarHBondContact O-CD 3.08Å; P1069-Y1200 WeakPolarHBondContact CA-O 3.41Å; P1069-Y1200 WeakPolarHBondContact CB-O 3.45Å; P1069-I1201 WeakPolarHBondContact O-CA 3.1Å; P1069-Q1202 CarbonylContact C-O 3.43Å; P1069-Q1202 VanDerWaalsContact C-O 3.31Å; P1069-Q1202 HydrophobicContact CB-CB 4.02Å; P1069-Q1202 HydrophobicContact CB-CG 4.32Å; P1069-Q1202 HydrophobicContact CG-CB 3.9Å; P1069-Q1202 HydrophobicContact CG-CG 4.37Å; P1069-Q1202 PolarHBondContact O-N 3.45Å; P1069-Q1202 VanDerWaalsContact O-N 3.15Å |
| 1070 | W | 93.7 | Very high | 82 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.1 | 174.8 | 43.8 | 75.6 | 0 | 0 | 0 | 114 | P1043 H1068 A1072 L1089 Q1202 I1204 A1289 Y1296 | P1043-W1070 HydrophobicContact CB-CH2 4.17Å; P1043-W1070 HydrophobicContact CB-CZ3 4.21Å; P1043-W1070 HydrophobicContact CG-CH2 3.96Å; P1043-W1070 HydrophobicContact CG-CZ3 4.34Å; H1068-W1070 AromaticContact ND1-CZ2 3.91Å; H1068-W1070 AromaticContact ND1-NE1 3.84Å; H1068-W1070 PolarHBondContact O-N 3.21Å; H1068-W1070 VanDerWaalsContact O-N 3.08Å; W1070-A1072 PolarHBondContact O-N 2.76Å; W1070-L1089 HydrophobicContact CB-CB 4.4Å; W1070-L1089 PolarHBondContact O-N 2.04Å; W1070-Q1202 WeakPolarHBondContact CA-O 3.37Å; W1070-Q1202 VanDerWaalsContact CB-O 3.29Å; W1070-Q1202 WeakPolarHBondContact CB-O 3.34Å; W1070-Q1202 PolarHBondContact N-O 2.77Å; W1070-I1204 HydrophobicContact CB-CB 3.86Å; W1070-I1204 HydrophobicContact CB-CG2 4.31Å; W1070-I1204 HydrophobicContact CD2-CB 3.75Å; W1070-I1204 HydrophobicContact CD2-CD1 4.07Å; W1070-I1204 HydrophobicContact CD2-CG1 4.05Å; W1070-I1204 HydrophobicContact CE3-CB 4.01Å; W1070-I1204 HydrophobicContact CE3-CG1 4.3Å; W1070-I1204 HydrophobicContact CG-CB 3.67Å; W1070-I1204 HydrophobicContact CG-CD1 4.25Å; W1070-I1204 HydrophobicContact CG-CG1 4.34Å; W1070-I1204 HydrophobicContact CG-CG2 4.38Å; W1070-I1204 HydrophobicContact CZ2-CD1 4.34Å; W1070-A1289 HydrophobicContact CZ2-CB 4.4Å; W1070-Y1296 VanDerWaalsContact CH2-CB 3.48Å; W1070-Y1296 AromaticContact CH2-CD2 3.66Å; W1070-Y1296 HydrophobicContact CH2-CD2 3.66Å; W1070-Y1296 AromaticContact CH2-CG 3.64Å; W1070-Y1296 HydrophobicContact CH2-CG 3.64Å; W1070-Y1296 HydrophobicContact CZ2-CD1 4.41Å; W1070-Y1296 HydrophobicContact CZ2-CD2 4.29Å; W1070-Y1296 AromaticContact CZ2-CG 3.9Å; W1070-Y1296 HydrophobicContact CZ2-CG 3.9Å |
| 1071 | Q | 94.8 | Very high | 82.1 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 122.5 | -177.7 | -179.1 | 67.6 | 49.5 | 0 | 0 | 111 | H1068 T1223 W1225 L1247 P1287 | H1068-Q1071 HydrophobicContact CB-CB 4.39Å; H1068-Q1071 WeakPolarHBondContact O-CB 3.35Å; H1068-Q1071 PolarHBondContact O-N 3.47Å; Q1071-T1223 VanDerWaalsContact OE1-CB 3.29Å; Q1071-T1223 PolarHBondContact OE1-O 3.21Å; Q1071-T1223 PolarHBondContact OE1-OG1 3.47Å; Q1071-W1225 HydrophobicContact CG-CH2 3.76Å; Q1071-W1225 HydrophobicContact CG-CZ3 3.71Å; Q1071-L1247 HydrophobicContact CB-CD2 4.32Å; Q1071-L1247 HydrophobicContact CG-CD1 3.85Å; Q1071-L1247 HydrophobicContact CG-CD2 4.07Å; Q1071-P1287 VanDerWaalsContact OE1-CD 3.28Å |
| 1072 | A | 93.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 144.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | W1070 G1087 V1101 V1150 F1152 | W1070-A1072 PolarHBondContact O-N 2.76Å; A1072-G1087 WeakPolarHBondContact CB-O 3.34Å; A1072-G1087 PolarHBondContact N-O 3.24Å; A1072-G1087 PolarHBondContact O-N 3.47Å; A1072-V1101 HydrophobicContact CB-CG1 3.94Å; A1072-V1150 HydrophobicContact CB-CG1 4.11Å; A1072-F1152 HydrophobicContact CB-CD1 4.14Å; A1072-F1152 HydrophobicContact CB-CE1 3.42Å; A1072-F1152 VanDerWaalsContact CB-CE1 3.42Å; A1072-F1152 HydrophobicContact CB-CZ 3.94Å |
| 1073 | L | 92.6 | Very high | 82 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117 | 164.6 | 173.3 | 65.8 | 0 | 0 | 0 | 108.3 | Y1075 Y1151 I1157 W1225 | L1073-Y1075 HydrophobicContact CD1-CE2 4.35Å; L1073-Y1075 HydrophobicContact CD2-CD2 4.43Å; L1073-Y1075 HydrophobicContact CD2-CE2 3.55Å; L1073-Y1075 HydrophobicContact CG-CD2 4.25Å; L1073-Y1075 HydrophobicContact CG-CE2 3.8Å; L1073-Y1151 PolarHBondContact N-O 2.83Å; L1073-Y1151 PolarHBondContact O-N 3.49Å; L1073-I1157 HydrophobicContact CD2-CG2 3.62Å; L1073-W1225 HydrophobicContact CB-CE3 4.37Å; L1073-W1225 HydrophobicContact CB-CH2 4.05Å; L1073-W1225 HydrophobicContact CB-CZ3 3.74Å; L1073-W1225 HydrophobicContact CD1-CD2 4.48Å; L1073-W1225 HydrophobicContact CD1-CE3 3.89Å; L1073-W1225 HydrophobicContact CD1-CZ3 4.13Å; L1073-W1225 HydrophobicContact CG-CZ3 4.45Å |
| 1074 | I | 91.8 | Very high | 82 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.6 | -178.5 | -54.6 | 174.7 | 0 | 0 | 0 | 108.2 | V1076 C1085 G1086 V1101 T1103 V1148 D1149 V1150 L1189 | I1074-V1076 HydrophobicContact CG2-CG2 4.14Å; I1074-C1085 HydrophobicContact CB-CB 4.29Å; I1074-C1085 PolarHBondContact N-O 3.28Å; I1074-C1085 PolarHBondContact O-N 3.47Å; I1074-G1086 WeakPolarHBondContact CD1-O 3.43Å; I1074-V1101 HydrophobicContact CD1-CG1 4.42Å; I1074-T1103 HydrophobicContact CD1-CG2 4.02Å; I1074-V1148 HydrophobicContact CG2-CG1 3.68Å; I1074-D1149 WeakPolarHBondContact CA-O 3.32Å; I1074-V1150 HydrophobicContact CG1-CG1 4.44Å; I1074-V1150 HydrophobicContact CG1-CG2 4.27Å; I1074-L1189 HydrophobicContact CD1-CD1 3.69Å; I1074-L1189 HydrophobicContact CG1-CD1 4.45Å; I1074-L1189 HydrophobicContact CG2-CD1 4.47Å |
| 1075 | Y | 88.8 | Confident | 82.1 | Confident | 37 Ų | 37 | 33.7 Ų | 33.7 | 15% | 0.145 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.1 | 167.7 | -72.6 | -80.8 | 0 | 0 | 0 | 110 | L1073 K1082 Y1083 K1084 V1148 D1149 Y1151 | L1073-Y1075 HydrophobicContact CD1-CE2 4.35Å; L1073-Y1075 HydrophobicContact CD2-CD2 4.43Å; L1073-Y1075 HydrophobicContact CD2-CE2 3.55Å; L1073-Y1075 HydrophobicContact CG-CD2 4.25Å; L1073-Y1075 HydrophobicContact CG-CE2 3.8Å; Y1075-K1082 HydrophobicContact CD1-CD 3.9Å; Y1075-K1082 HydrophobicContact CD1-CG 3.7Å; Y1075-K1082 HydrophobicContact CE1-CD 4.46Å; Y1075-K1082 HydrophobicContact CE1-CG 4.48Å; Y1075-K1082 HydrophobicContact CG-CD 4.26Å; Y1075-K1082 HydrophobicContact CG-CG 4.28Å; Y1075-Y1083 WeakPolarHBondContact CA-O 3.38Å; Y1075-K1084 HydrophobicContact CD1-CG 3.7Å; Y1075-K1084 HydrophobicContact CE1-CD 3.93Å; Y1075-K1084 HydrophobicContact CE1-CG 3.3Å; Y1075-K1084 WeakPolarHBondContact OH-CE 3.47Å; Y1075-V1148 WeakPolarHBondContact O-CA 3.39Å; Y1075-D1149 PolarHBondContact N-O 3.03Å; Y1075-D1149 PolarHBondContact O-N 3.39Å; Y1075-Y1151 AromaticContact CD2-CD2 3.91Å; Y1075-Y1151 HydrophobicContact CD2-CD2 3.91Å; Y1075-Y1151 AromaticContact CD2-CE2 3.67Å; Y1075-Y1151 HydrophobicContact CD2-CE2 3.67Å; Y1075-Y1151 HydrophobicContact CE2-CD2 4.19Å; Y1075-Y1151 HydrophobicContact CE2-CE2 4.07Å |
| 1076 | V | 82 | Confident | 82.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.6 | 172.5 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | I1074 T1078 K1082 Y1083 C1107 A1143 D1147 V1148 | I1074-V1076 HydrophobicContact CG2-CG2 4.14Å; V1076-T1078 HydrophobicContact CG1-CG2 4.36Å; V1076-K1082 WeakPolarHBondContact O-CA 3.41Å; V1076-Y1083 HydrophobicContact CB-CD2 4.32Å; V1076-Y1083 HydrophobicContact CB-CE1 3.95Å; V1076-Y1083 HydrophobicContact CB-CE2 3.68Å; V1076-Y1083 VanDerWaalsContact CB-CZ 3.47Å; V1076-Y1083 HydrophobicContact CG1-CE1 4.05Å; V1076-Y1083 HydrophobicContact CG1-CE2 4.28Å; V1076-Y1083 WeakPolarHBondContact CG1-OH 3.48Å; V1076-Y1083 HydrophobicContact CG2-CE2 4.09Å; V1076-Y1083 PolarHBondContact N-O 3.39Å; V1076-Y1083 PolarHBondContact O-N 2.91Å; V1076-Y1083 VanDerWaalsContact O-N 3.07Å; V1076-C1107 VanDerWaalsContact CG2-O 3.31Å; V1076-C1107 WeakPolarHBondContact CG2-O 3.46Å; V1076-A1143 HydrophobicContact CG1-CB 3.53Å; V1076-D1147 WeakPolarHBondContact CA-O 3.5Å; V1076-V1148 HydrophobicContact CG1-CG2 4.16Å; V1076-V1148 HydrophobicContact CG2-CG1 4.25Å; V1076-V1148 HydrophobicContact CG2-CG2 4.01Å |
| 1077 | T | 80.9 | Confident | 82.7 | Confident | 43 Ų | 43 | 29.6 Ų | 29.6 | 26% | 0.264 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 114.1 | -175.8 | -48 | 0 | 0 | 0 | 0 | 109.9 | T1081 D1147 | T1077-T1081 CarbonylContact C-O 3.55Å; T1077-T1081 WeakPolarHBondContact CA-O 3.47Å; T1077-D1147 PolarHBondContact N-O 2.85Å; T1077-D1147 WeakPolarHBondContact O-CB 3.39Å |
| 1078 | T | 63.2 | Low | 83 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.6 | 177.5 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | V1076 G1080 T1081 Y1083 | V1076-T1078 HydrophobicContact CG1-CG2 4.36Å; T1078-G1080 PolarHBondContact O-N 3.19Å; T1078-T1081 PolarHBondContact N-O 3.08Å; T1078-T1081 WeakPolarHBondContact O-CB 3.41Å; T1078-T1081 PolarHBondContact O-N 3.21Å; T1078-Y1083 HydrophobicContact CG2-CE1 4.23Å |
| 1079 | N | 58.3 | Low | 83.2 | Confident | 122 Ų | 122 | 29.3 Ų | 29.3 | 65% | 0.652 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 38.4 | 43.5 | -171.1 | -72.7 | -55 | 0 | 0 | 0 | 115.8 | T1081 D1112 | N1079-T1081 VanDerWaalsContact C-N 3.32Å; N1079-T1081 PolarHBondContact O-N 3.28Å; N1079-D1112 VanDerWaalsContact CB-OD2 3.3Å; N1079-D1112 WeakPolarHBondContact CB-OD2 3.24Å; N1079-D1112 PolarHBondContact ND2-OD2 2.6Å |
| 1080 | G | 62.8 | Low | 83.1 | Confident | 70 Ų | 70 | 29.1 Ų | 29.1 | 72% | 0.722 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -7.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T1078 | T1078-G1080 PolarHBondContact O-N 3.19Š|
| 1081 | T | 62.3 | Low | 82.5 | Confident | 93 Ų | 93 | 29.4 Ų | 29.4 | 57% | 0.571 | 17% | 0.166 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.1 | 169.2 | -50.3 | 0 | 0 | 0 | 0 | 110 | T1077 T1078 N1079 | T1077-T1081 CarbonylContact C-O 3.55Å; T1077-T1081 WeakPolarHBondContact CA-O 3.47Å; T1078-T1081 PolarHBondContact N-O 3.08Å; T1078-T1081 WeakPolarHBondContact O-CB 3.41Å; T1078-T1081 PolarHBondContact O-N 3.21Å; N1079-T1081 VanDerWaalsContact C-N 3.32Å; N1079-T1081 PolarHBondContact O-N 3.28Å |
| 1082 | K | 72.1 | Confident | 81.6 | Confident | 102 Ų | 102 | 31.2 Ų | 31.2 | 44% | 0.443 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.4 | -177.2 | -170.7 | 172 | -172.1 | 165 | 0 | 110.5 | Y1075 V1076 | Y1075-K1082 HydrophobicContact CD1-CD 3.9Å; Y1075-K1082 HydrophobicContact CD1-CG 3.7Å; Y1075-K1082 HydrophobicContact CE1-CD 4.46Å; Y1075-K1082 HydrophobicContact CE1-CG 4.48Å; Y1075-K1082 HydrophobicContact CG-CD 4.26Å; Y1075-K1082 HydrophobicContact CG-CG 4.28Å; V1076-K1082 WeakPolarHBondContact O-CA 3.41Å |
| 1083 | Y | 74.8 | Confident | 80.1 | Confident | 47 Ų | 47 | 33.9 Ų | 33.9 | 18% | 0.184 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 159.3 | 175.6 | 56.8 | -85.4 | 0 | 0 | 0 | 111.9 | Y1075 V1076 T1078 C1107 I1109 I1111 | Y1075-Y1083 WeakPolarHBondContact CA-O 3.38Å; V1076-Y1083 HydrophobicContact CB-CD2 4.32Å; V1076-Y1083 HydrophobicContact CB-CE1 3.95Å; V1076-Y1083 HydrophobicContact CB-CE2 3.68Å; V1076-Y1083 VanDerWaalsContact CB-CZ 3.47Å; V1076-Y1083 HydrophobicContact CG1-CE1 4.05Å; V1076-Y1083 HydrophobicContact CG1-CE2 4.28Å; V1076-Y1083 WeakPolarHBondContact CG1-OH 3.48Å; V1076-Y1083 HydrophobicContact CG2-CE2 4.09Å; V1076-Y1083 PolarHBondContact N-O 3.39Å; V1076-Y1083 PolarHBondContact O-N 2.91Å; V1076-Y1083 VanDerWaalsContact O-N 3.07Å; T1078-Y1083 HydrophobicContact CG2-CE1 4.23Å; Y1083-C1107 WeakPolarHBondContact CE2-O 3.49Å; Y1083-I1109 PolarHBondContact OH-O 3.01Å; Y1083-I1111 HydrophobicContact CD1-CD1 4.43Å; Y1083-I1111 HydrophobicContact CE1-CD1 4.02Å |
| 1084 | K | 82.3 | Confident | 78.1 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 29% | 0.287 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.7 | -173.1 | -69.9 | 174.5 | -172 | 172.5 | 0 | 110.9 | Y1075 | Y1075-K1084 HydrophobicContact CD1-CG 3.7Å; Y1075-K1084 HydrophobicContact CE1-CD 3.93Å; Y1075-K1084 HydrophobicContact CE1-CG 3.3Å; Y1075-K1084 WeakPolarHBondContact OH-CE 3.47Å |
| 1085 | C | 87.5 | Confident | 76.3 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 5% | 0.054 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 160.8 | 169.2 | -89.1 | 0 | 0 | 0 | 0 | 111.5 | I1074 C1107 | I1074-C1085 HydrophobicContact CB-CB 4.29Å; I1074-C1085 PolarHBondContact N-O 3.28Å; I1074-C1085 PolarHBondContact O-N 3.47Å; C1085-C1107 HydrophobicContact CB-CB 3.64Å; C1085-C1107 WeakPolarHBondContact CB-SG 3.26Å; C1085-C1107 WeakPolarHBondContact SG-CB 2.95Å; C1085-C1107 CovalentContact SG-SG 2.04Å; C1085-C1107 PolarHBondContact SG-SG 3.11Å |
| 1086 | G | 89.2 | Confident | 74.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 164.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1074 T1103 S1284 G1285 | I1074-G1086 WeakPolarHBondContact CD1-O 3.43Å; G1086-T1103 PolarHBondContact O-OG1 2.6Å; G1086-S1284 PolarHBondContact N-O 3.1Å; G1086-G1285 VanDerWaalsContact C-C 3.44Å; G1086-G1285 CarbonylContact C-O 3.52Å; G1086-G1285 CarbonylContact O-C 3.59Å; G1086-G1285 WeakPolarHBondContact O-CA 3.46Å |
| 1087 | G | 93.7 | Very high | 73.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 172.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | A1072 L1102 G1285 | A1072-G1087 WeakPolarHBondContact CB-O 3.34Å; A1072-G1087 PolarHBondContact N-O 3.24Å; A1072-G1087 PolarHBondContact O-N 3.47Å; G1087-L1102 CarbonylContact C-O 3.59Å; G1087-L1102 VanDerWaalsContact CA-O 3.26Å; G1087-L1102 WeakPolarHBondContact CA-O 3.29Å; G1087-G1285 WeakPolarHBondContact CA-O 3.13Å |
| 1088 | S | 95.5 | Very high | 73.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.2 | -178.2 | -49.9 | 0 | 0 | 0 | 0 | 110.4 | I1090 V1101 L1102 P1287 | S1088-I1090 PolarHBondContact O-N 3.16Å; S1088-V1101 WeakPolarHBondContact O-CA 3.25Å; S1088-L1102 PolarHBondContact N-O 3.14Å; S1088-L1102 PolarHBondContact O-N 3.25Å; S1088-P1287 VanDerWaalsContact OG-CB 3.29Å; S1088-P1287 WeakPolarHBondContact OG-CB 3.24Å |
| 1089 | L | 94.6 | Very high | 74.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 110.1 | 169.1 | -171.8 | 57.3 | 0 | 0 | 0 | 108.9 | W1070 F1152 V1195 Y1197 I1201 G1203 I1204 | W1070-L1089 HydrophobicContact CB-CB 4.4Å; W1070-L1089 PolarHBondContact O-N 2.04Å; L1089-F1152 HydrophobicContact CB-CD1 4.25Å; L1089-F1152 HydrophobicContact CB-CE1 3.62Å; L1089-F1152 HydrophobicContact CB-CZ 4.19Å; L1089-F1152 HydrophobicContact CD1-CE1 4.21Å; L1089-F1152 HydrophobicContact CD1-CE2 4.48Å; L1089-F1152 HydrophobicContact CD1-CZ 3.93Å; L1089-F1152 HydrophobicContact CD2-CD1 4.26Å; L1089-F1152 HydrophobicContact CD2-CE1 4.21Å; L1089-F1152 HydrophobicContact CG-CE1 4.24Å; L1089-F1152 HydrophobicContact CG-CZ 4.46Å; L1089-V1195 HydrophobicContact CD1-CB 4.37Å; L1089-V1195 HydrophobicContact CD1-CG2 3.92Å; L1089-V1195 HydrophobicContact CD2-CB 4.12Å; L1089-V1195 HydrophobicContact CD2-CG1 3.91Å; L1089-V1195 HydrophobicContact CD2-CG2 4.35Å; L1089-Y1197 HydrophobicContact CD2-CD1 4.38Å; L1089-Y1197 HydrophobicContact CD2-CE1 3.68Å; L1089-Y1197 HydrophobicContact CG-CE1 4.35Å; L1089-I1201 HydrophobicContact CD2-CG2 3.89Å; L1089-G1203 WeakPolarHBondContact O-CA 3.49Å; L1089-I1204 PolarHBondContact O-N 3.12Å |
| 1090 | I | 91.3 | Very high | 76.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -96.4 | 133.7 | -176.6 | 52.9 | 156.8 | 0 | 0 | 0 | 110.9 | S1088 W1092 S1098 L1100 L1102 I1204 L1206 L1298 M1330 | S1088-I1090 PolarHBondContact O-N 3.16Å; I1090-W1092 HydrophobicContact CD1-CB 4.45Å; I1090-W1092 HydrophobicContact CD1-CE3 4.44Å; I1090-W1092 PolarHBondContact O-N 2.87Å; I1090-S1098 WeakPolarHBondContact O-CB 3.47Å; I1090-S1098 PolarHBondContact O-OG 2.68Å; I1090-L1100 HydrophobicContact CD1-CB 3.96Å; I1090-L1100 HydrophobicContact CG1-CB 3.77Å; I1090-L1100 WeakPolarHBondContact CG1-O 3.34Å; I1090-L1100 PolarHBondContact N-O 2.93Å; I1090-L1100 VanDerWaalsContact N-O 3.11Å; I1090-L1102 HydrophobicContact CD1-CD1 4.26Å; I1090-L1102 HydrophobicContact CD1-CG 3.95Å; I1090-L1102 HydrophobicContact CG1-CG 4.35Å; I1090-L1102 HydrophobicContact CG2-CB 4.19Å; I1090-L1102 HydrophobicContact CG2-CD1 3.76Å; I1090-L1102 HydrophobicContact CG2-CG 3.86Å; I1090-I1204 HydrophobicContact CG2-CG2 4.4Å; I1090-L1206 HydrophobicContact CB-CD2 4.33Å; I1090-L1206 HydrophobicContact CD1-CD1 4.44Å; I1090-L1206 HydrophobicContact CG2-CD2 3.9Å; I1090-L1298 HydrophobicContact CG2-CD2 3.79Å; I1090-M1330 HydrophobicContact CD1-CE 3.56Å |
| 1091 | D | 80.7 | Confident | 77.9 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | trans | -88.1 | 81.5 | 169.1 | -161.7 | -15 | 0 | 0 | 0 | 109.9 | C1040 N1093 N1094 H1095 I1204 | C1040-D1091 HydrophobicContact CB-CB 3.74Å; D1091-N1093 PolarHBondContact O-N 2.86Å; D1091-N1093 VanDerWaalsContact O-N 3.16Å; D1091-N1094 VanDerWaalsContact CG-CA 3.4Å; D1091-N1094 WeakPolarHBondContact OD1-CA 3.48Å; D1091-N1094 PolarHBondContact OD1-N 3.09Å; D1091-N1094 WeakPolarHBondContact OD2-CA 3.49Å; D1091-H1095 PolarHBondContact OD1-N 3.38Å; D1091-I1204 PolarHBondContact N-O 3.04Å; D1091-I1204 VanDerWaalsContact N-O 3.1Å | ||
| 1092 | W | 74.8 | Confident | 79.5 | Confident | 46 Ų | 46 | 27.1 Ų | 27.1 | 17% | 0.174 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -58 | -29.7 | -173.9 | 177.3 | -111.2 | 0 | 0 | 0 | 113.5 | I1090 L1100 L1206 L1327 M1330 R1331 I1334 | I1090-W1092 HydrophobicContact CD1-CB 4.45Å; I1090-W1092 HydrophobicContact CD1-CE3 4.44Å; I1090-W1092 PolarHBondContact O-N 2.87Å; W1092-L1100 HydrophobicContact CB-CD1 3.89Å; W1092-L1100 HydrophobicContact CG-CD1 4.14Å; W1092-L1206 HydrophobicContact CE3-CD1 3.42Å; W1092-L1206 VanDerWaalsContact CE3-CD1 3.42Å; W1092-L1206 HydrophobicContact CZ3-CD1 3.79Å; W1092-L1327 HydrophobicContact CZ3-CD2 4.46Å; W1092-M1330 HydrophobicContact CE3-CB 4.47Å; W1092-M1330 HydrophobicContact CE3-CE 3.63Å; W1092-M1330 VanDerWaalsContact CH2-C 3.49Å; W1092-M1330 HydrophobicContact CH2-CB 3.36Å; W1092-M1330 HydrophobicContact CH2-CE 4.5Å; W1092-M1330 HydrophobicContact CZ2-CB 4.33Å; W1092-M1330 HydrophobicContact CZ3-CB 3.46Å; W1092-M1330 VanDerWaalsContact CZ3-CB 3.46Å; W1092-M1330 HydrophobicContact CZ3-CE 3.45Å; W1092-M1330 VanDerWaalsContact CZ3-CE 3.45Å; W1092-M1330 HydrophobicContact CZ3-CG 4.31Å; W1092-M1330 HydrophobicContact CZ3-SD 4.03Å; W1092-R1331 HydrophobicContact CH2-CB 4.32Å; W1092-R1331 HydrophobicContact CH2-CG 3.65Å; W1092-R1331 HydrophobicContact CZ2-CB 4.31Å; W1092-R1331 HydrophobicContact CZ2-CG 3.74Å; W1092-I1334 HydrophobicContact CD2-CD1 3.32Å; W1092-I1334 HydrophobicContact CD2-CG2 4.3Å; W1092-I1334 HydrophobicContact CE3-CD1 3.36Å; W1092-I1334 HydrophobicContact CG-CD1 3.96Å; W1092-I1334 HydrophobicContact CG-CG2 4.14Å; W1092-I1334 HydrophobicContact CH2-CD1 3.86Å; W1092-I1334 HydrophobicContact CZ2-CB 4.24Å; W1092-I1334 HydrophobicContact CZ2-CD1 3.81Å; W1092-I1334 HydrophobicContact CZ3-CD1 3.65Å |
| 1093 | N | 62.3 | Low | 80.5 | Confident | 56 Ų | 56 | 22.2 Ų | 22.2 | 30% | 0.299 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -130.9 | 10.6 | -173.2 | -86.1 | -31.8 | 0 | 0 | 0 | 114.5 | R1003 D1091 H1095 | R1003-N1093 PolarHBondContact NE-O 3.08Å; R1003-N1093 VanDerWaalsContact NH2-CA 3.29Å; R1003-N1093 PolarHBondContact NH2-O 3.4Å; R1003-N1093 PolarHBondContact NH2-OD1 2.82Å; D1091-N1093 PolarHBondContact O-N 2.86Å; D1091-N1093 VanDerWaalsContact O-N 3.16Å; N1093-H1095 VanDerWaalsContact C-N 3.32Å; N1093-H1095 WeakPolarHBondContact CB-CD2 3.38Å; N1093-H1095 VanDerWaalsContact CB-NE2 3.35Å; N1093-H1095 WeakPolarHBondContact CB-NE2 3.24Å |
| 1094 | N | 52 | Low | 81.1 | Confident | 54 Ų | 54 | 20 Ų | 20 | 29% | 0.289 | 10% | 0.103 | S | C | . | . | trans | 55.7 | 45.9 | -169.9 | -64.2 | -24.1 | 0 | 0 | 0 | 112.2 | N1005 C1040 D1091 | N1005-N1094 PolarHBondContact OD1-ND2 3.42Å; N1005-N1094 VanDerWaalsContact OD1-ND2 3.14Å; C1040-N1094 PolarHBondContact SG-OD1 3.17Å; D1091-N1094 VanDerWaalsContact CG-CA 3.4Å; D1091-N1094 WeakPolarHBondContact OD1-CA 3.48Å; D1091-N1094 PolarHBondContact OD1-N 3.09Å; D1091-N1094 WeakPolarHBondContact OD2-CA 3.49Å | ||
| 1095 | H | 52.7 | Low | 81.2 | Confident | 49 Ų | 49 | 17 Ų | 17 | 23% | 0.227 | 9% | 0.09 | C | C | . | . | trans | -97.9 | 142.9 | 170.8 | -67 | -61.7 | 0 | 0 | 0 | 109 | D1091 N1093 S1097 | D1091-H1095 PolarHBondContact OD1-N 3.38Å; N1093-H1095 VanDerWaalsContact C-N 3.32Å; N1093-H1095 WeakPolarHBondContact CB-CD2 3.38Å; N1093-H1095 VanDerWaalsContact CB-NE2 3.35Å; N1093-H1095 WeakPolarHBondContact CB-NE2 3.24Å; H1095-S1097 PolarHBondContact O-N 3.49Å | ||
| 1096 | N | 54.4 | Low | 81 | Confident | 69 Ų | 69 | 18.3 Ų | 18.3 | 37% | 0.369 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -58.9 | 10 | 175.3 | -71 | 4.9 | 0 | 0 | 0 | 114.9 | V1036 A1038 Y1197 | V1036-N1096 PolarHBondContact O-ND2 2.99Å; A1038-N1096 HydrophobicContact CB-CB 4.14Å; A1038-N1096 WeakPolarHBondContact CB-OD1 3.27Å; A1038-N1096 PolarHBondContact O-OD1 3.08Å; N1096-Y1197 WeakPolarHBondContact O-CB 2.93Å; N1096-Y1197 WeakPolarHBondContact O-CD2 3.39Å; N1096-Y1197 VanDerWaalsContact O-CG 3.26Å |
| 1097 | S | 63.1 | Low | 80.7 | Confident | 33 Ų | 33 | 18.3 Ų | 18.3 | 23% | 0.231 | 10% | 0.095 | C | C | . | . | trans | -159.8 | 146.9 | 170.8 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | H1095 K1194 V1195 | H1095-S1097 PolarHBondContact O-N 3.49Å; S1097-K1194 WeakPolarHBondContact OG-CD 3.38Å; S1097-V1195 VanDerWaalsContact CB-O 3.3Å; S1097-V1195 WeakPolarHBondContact CB-O 3.47Å | ||
| 1098 | S | 79.8 | Confident | 80.2 | Confident | 6 Ų | 6 | 18.3 Ų | 18.3 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | trans | -132.9 | 151.4 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | I1090 L1100 V1195 Y1197 | I1090-S1098 WeakPolarHBondContact O-CB 3.47Å; I1090-S1098 PolarHBondContact O-OG 2.68Å; S1098-L1100 PolarHBondContact OG-N 3.45Å; S1098-L1100 VanDerWaalsContact OG-N 3.16Å; S1098-V1195 WeakPolarHBondContact O-CB 3.32Å; S1098-V1195 WeakPolarHBondContact O-CG2 3.44Å; S1098-V1195 PolarHBondContact O-N 3.24Å; S1098-Y1197 WeakPolarHBondContact CB-OH 3.16Å; S1098-Y1197 PolarHBondContact N-OH 3.12Å | ||
| 1099 | D | 86.5 | Confident | 79.1 | Confident | 23 Ų | 23 | 18.6 Ų | 18.6 | 12% | 0.123 | 10% | 0.096 | C | C | . | . | trans | -119.2 | 18.9 | 172.4 | 47.7 | 25.8 | 0 | 0 | 0 | 111.6 | K1190 L1191 K1194 | D1099-K1190 HydrophobicContact CB-CD 4.48Å; D1099-K1190 IonicContact OD1-NZ 3.77Å; D1099-K1190 PolarHBondContact OD1-NZ 3.06Å; D1099-K1190 WeakPolarHBondContact OD2-CE 3.36Å; D1099-K1190 IonicContact OD2-NZ 3.31Å; D1099-K1190 PolarHBondContact OD2-NZ 3.19Å; D1099-L1191 HydrophobicContact CB-CB 4.23Å; D1099-L1191 WeakPolarHBondContact O-CG 3.49Å; D1099-L1191 PolarHBondContact O-N 2.81Å; D1099-K1194 HydrophobicContact CB-CG 4.13Å | ||
| 1100 | L | 92.4 | Very high | 77.8 | Confident | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.8 | -175.7 | -63.3 | 175 | 0 | 0 | 0 | 111.6 | I1090 W1092 S1098 I1188 L1189 K1190 I1334 | I1090-L1100 HydrophobicContact CD1-CB 3.96Å; I1090-L1100 HydrophobicContact CG1-CB 3.77Å; I1090-L1100 WeakPolarHBondContact CG1-O 3.34Å; I1090-L1100 PolarHBondContact N-O 2.93Å; I1090-L1100 VanDerWaalsContact N-O 3.11Å; W1092-L1100 HydrophobicContact CB-CD1 3.89Å; W1092-L1100 HydrophobicContact CG-CD1 4.14Å; S1098-L1100 PolarHBondContact OG-N 3.45Å; S1098-L1100 VanDerWaalsContact OG-N 3.16Å; L1100-I1188 HydrophobicContact CD2-CG2 4.02Å; L1100-L1189 WeakPolarHBondContact CA-O 3.44Å; L1100-K1190 HydrophobicContact CD2-CD 3.66Å; L1100-I1334 HydrophobicContact CD1-CD1 4.01Å; L1100-I1334 HydrophobicContact CD1-CG1 4.29Å; L1100-I1334 HydrophobicContact CD1-CG2 3.65Å |
| 1101 | V | 94.6 | Very high | 76.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.7 | 177.6 | -169.5 | 0 | 0 | 0 | 0 | 109.3 | A1072 I1074 S1088 V1150 F1152 I1188 L1189 L1191 | A1072-V1101 HydrophobicContact CB-CG1 3.94Å; I1074-V1101 HydrophobicContact CD1-CG1 4.42Å; S1088-V1101 WeakPolarHBondContact O-CA 3.25Å; V1101-V1150 HydrophobicContact CG2-CG1 4.38Å; V1101-F1152 HydrophobicContact CG2-CE2 4.43Å; V1101-F1152 HydrophobicContact CG2-CZ 3.64Å; V1101-I1188 WeakPolarHBondContact O-CA 3.33Å; V1101-L1189 HydrophobicContact CB-CB 4.18Å; V1101-L1189 PolarHBondContact N-O 2.89Å; V1101-L1189 PolarHBondContact O-N 3.34Å; V1101-L1191 HydrophobicContact CG2-CD1 3.91Å; V1101-L1191 HydrophobicContact CG2-CD2 3.97Å; V1101-L1191 HydrophobicContact CG2-CG 4.03Å |
| 1102 | L | 94.4 | Very high | 75 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.9 | 167.5 | -75.2 | -177.8 | 0 | 0 | 0 | 110.5 | G1087 S1088 I1090 I1186 A1187 I1188 L1206 L1298 I1301 V1323 M1330 | G1087-L1102 CarbonylContact C-O 3.59Å; G1087-L1102 VanDerWaalsContact CA-O 3.26Å; G1087-L1102 WeakPolarHBondContact CA-O 3.29Å; S1088-L1102 PolarHBondContact N-O 3.14Å; S1088-L1102 PolarHBondContact O-N 3.25Å; I1090-L1102 HydrophobicContact CD1-CD1 4.26Å; I1090-L1102 HydrophobicContact CD1-CG 3.95Å; I1090-L1102 HydrophobicContact CG1-CG 4.35Å; I1090-L1102 HydrophobicContact CG2-CB 4.19Å; I1090-L1102 HydrophobicContact CG2-CD1 3.76Å; I1090-L1102 HydrophobicContact CG2-CG 3.86Å; L1102-I1186 HydrophobicContact CD2-CD1 4.12Å; L1102-I1186 HydrophobicContact CD2-CG1 4.21Å; L1102-A1187 WeakPolarHBondContact CA-O 3.32Å; L1102-I1188 HydrophobicContact CD2-CG1 3.66Å; L1102-L1206 HydrophobicContact CD1-CD2 4.33Å; L1102-L1298 HydrophobicContact CB-CD2 4.5Å; L1102-L1298 HydrophobicContact CD1-CD2 3.96Å; L1102-I1301 HydrophobicContact CB-CD1 3.97Å; L1102-I1301 HydrophobicContact CD1-CD1 4.27Å; L1102-V1323 HydrophobicContact CD1-CG1 4.46Å; L1102-M1330 HydrophobicContact CD1-CE 3.8Å; L1102-M1330 HydrophobicContact CD1-SD 4.22Å; L1102-M1330 HydrophobicContact CD2-CE 3.99Å; L1102-M1330 HydrophobicContact CD2-SD 4.49Å; L1102-M1330 HydrophobicContact CG-CE 4.2Å |
| 1103 | T | 93.6 | Very high | 73.8 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | -179.3 | 174.1 | -170.4 | 0 | 0 | 0 | 0 | 110 | I1074 G1086 I1186 A1187 L1189 G1285 | I1074-T1103 HydrophobicContact CD1-CG2 4.02Å; G1086-T1103 PolarHBondContact O-OG1 2.6Å; T1103-I1186 CarbonylContact O-C 3.31Å; T1103-I1186 WeakPolarHBondContact O-CA 3.22Å; T1103-A1187 HydrophobicContact CG2-CB 4.2Å; T1103-A1187 PolarHBondContact N-O 3.12Å; T1103-A1187 PolarHBondContact O-N 2.92Å; T1103-L1189 HydrophobicContact CG2-CD1 4.12Å; T1103-L1189 HydrophobicContact CG2-CG 4.15Å; T1103-G1285 WeakPolarHBondContact OG1-CA 3.19Å |
| 1104 | A | 88.4 | Confident | 73.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -79.2 | 145.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | H1106 C1107 I1301 | A1104-H1106 PolarHBondContact O-N 3.35Å; A1104-C1107 WeakPolarHBondContact O-CB 3.48Å; A1104-C1107 PolarHBondContact O-N 2.81Å; A1104-I1301 HydrophobicContact CB-CG2 4.37Å | ||
| 1105 | A | 84.2 | Confident | 72.8 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -64.2 | -33.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1107 I1108 P1174 F1177 D1185 | A1105-C1107 PolarHBondContact O-N 3.38Å; A1105-I1108 WeakPolarHBondContact O-CG1 3.48Å; A1105-I1108 PolarHBondContact O-N 2.74Å; A1105-P1174 HydrophobicContact CB-CB 4.44Å; A1105-F1177 HydrophobicContact CB-CB 3.89Å; A1105-F1177 HydrophobicContact CB-CD2 4.08Å; A1105-F1177 HydrophobicContact CB-CG 4.02Å; A1105-D1185 WeakPolarHBondContact CA-OD1 3.26Å; A1105-D1185 PolarHBondContact N-OD1 3.36Å |
| 1106 | H | 82.3 | Confident | 72.2 | Confident | 36 Ų | 36 | 33 Ų | 33 | 17% | 0.167 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -66.9 | -17.1 | 178.6 | 80.9 | -98.7 | 0 | 0 | 0 | 114 | A1104 I1108 I1109 F1177 D1185 S1284 S1303 | A1104-H1106 PolarHBondContact O-N 3.35Å; H1106-I1108 VanDerWaalsContact C-N 3.26Å; H1106-I1108 PolarHBondContact O-N 3.3Å; H1106-I1109 HydrophobicContact CB-CD1 4.07Å; H1106-F1177 HydrophobicContact CB-CZ 4.21Å; H1106-D1185 IonicContact CE1-OD2 2.8Å; H1106-D1185 PolarHBondContact N-OD1 3.02Å; H1106-D1185 IonicContact ND1-OD1 3.43Å; H1106-D1185 PolarHBondContact ND1-OD1 3.14Å; H1106-D1185 IonicContact ND1-OD2 3.15Å; H1106-D1185 PolarHBondContact ND1-OD2 3.15Å; H1106-S1284 WeakPolarHBondContact NE2-CB 2.94Å; H1106-S1284 PolarHBondContact NE2-OG 3.12Å; H1106-S1303 PolarHBondContact CE1-O 3.5Å; H1106-S1303 VanDerWaalsContact CE1-O 3.25Å |
| 1107 | C | 83.9 | Confident | 71.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -72.9 | -16 | 176.9 | -80.1 | 0 | 0 | 0 | 0 | 113.9 | V1076 Y1083 C1085 A1104 A1105 S1284 | V1076-C1107 VanDerWaalsContact CG2-O 3.31Å; V1076-C1107 WeakPolarHBondContact CG2-O 3.46Å; Y1083-C1107 WeakPolarHBondContact CE2-O 3.49Å; C1085-C1107 HydrophobicContact CB-CB 3.64Å; C1085-C1107 WeakPolarHBondContact CB-SG 3.26Å; C1085-C1107 WeakPolarHBondContact SG-CB 2.95Å; C1085-C1107 CovalentContact SG-SG 2.04Å; C1085-C1107 PolarHBondContact SG-SG 3.11Å; A1104-C1107 WeakPolarHBondContact O-CB 3.48Å; A1104-C1107 PolarHBondContact O-N 2.81Å; A1105-C1107 PolarHBondContact O-N 3.38Å; C1107-S1284 PolarHBondContact SG-O 2.74Å; C1107-S1284 VanDerWaalsContact SG-O 3.41Å |
| 1108 | I | 83.1 | Confident | 70.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -118.3 | 12.6 | -175.1 | 53.1 | 162.5 | 0 | 0 | 0 | 112.5 | A1105 H1106 L1142 A1143 I1172 P1174 A1187 L1189 | A1105-I1108 WeakPolarHBondContact O-CG1 3.48Å; A1105-I1108 PolarHBondContact O-N 2.74Å; H1106-I1108 VanDerWaalsContact C-N 3.26Å; H1106-I1108 PolarHBondContact O-N 3.3Å; I1108-L1142 HydrophobicContact CD1-CD2 3.94Å; I1108-L1142 HydrophobicContact CG1-CD2 4.14Å; I1108-L1142 CarbonylContact O-C 3.6Å; I1108-L1142 VanDerWaalsContact O-CA 3.23Å; I1108-L1142 WeakPolarHBondContact O-CA 3.41Å; I1108-A1143 PolarHBondContact O-N 3Å; I1108-I1172 HydrophobicContact CB-CG2 4.06Å; I1108-I1172 HydrophobicContact CD1-CG2 3.13Å; I1108-I1172 HydrophobicContact CG1-CG2 4.12Å; I1108-I1172 HydrophobicContact CG2-CG2 4.24Å; I1108-P1174 HydrophobicContact CD1-CB 4.17Å; I1108-A1187 HydrophobicContact CD1-CB 3.4Å; I1108-A1187 VanDerWaalsContact CD1-CB 3.4Å; I1108-A1187 HydrophobicContact CG1-CB 4.22Å; I1108-L1189 HydrophobicContact CG2-CD2 3.99Å |
| 1109 | I | 72.3 | Confident | 68.5 | Low | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -75 | 134.4 | 174.9 | -66.2 | 172.8 | 0 | 0 | 0 | 108.7 | Y1083 H1106 I1111 F1114 V1140 P1141 F1177 | Y1083-I1109 PolarHBondContact OH-O 3.01Å; H1106-I1109 HydrophobicContact CB-CD1 4.07Å; I1109-I1111 PolarHBondContact O-N 3.29Å; I1109-F1114 HydrophobicContact CG2-CE2 4.27Å; I1109-V1140 HydrophobicContact CB-CG1 4.3Å; I1109-V1140 HydrophobicContact CD1-CG1 3.79Å; I1109-V1140 HydrophobicContact CG1-CG1 3.74Å; I1109-V1140 HydrophobicContact CG2-CG1 3.66Å; I1109-P1141 WeakPolarHBondContact CA-O 3.46Å; I1109-F1177 HydrophobicContact CD1-CD1 4.13Å; I1109-F1177 HydrophobicContact CD1-CE1 3.72Å |
| 1110 | D | 67.6 | Low | 66.2 | Low | 26 Ų | 26 | 39.4 Ų | 39.4 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | trans | -77.9 | 102 | 168.4 | -177.3 | -0.5 | 0 | 0 | 0 | 108.9 | D1112 P1141 | D1110-D1112 PolarHBondContact O-N 3.29Å; D1110-D1112 PolarHBondContact OD1-N 3.15Å; D1110-D1112 VanDerWaalsContact OD1-N 3.1Å; D1110-P1141 HydrophobicContact CB-CB 4.37Å; D1110-P1141 PolarHBondContact N-O 2.65Å | ||
| 1111 | I | 56.3 | Low | 63.7 | Low | 47 Ų | 47 | 43.5 Ų | 43.5 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -70.2 | -24.2 | -175 | -44.5 | 174.2 | 0 | 0 | 0 | 110.7 | Y1083 I1109 W1121 L1124 | Y1083-I1111 HydrophobicContact CD1-CD1 4.43Å; Y1083-I1111 HydrophobicContact CE1-CD1 4.02Å; I1109-I1111 PolarHBondContact O-N 3.29Å; I1111-W1121 HydrophobicContact CD1-CZ2 4.33Å; I1111-L1124 HydrophobicContact CG2-CD1 4.1Å; I1111-L1124 HydrophobicContact CG2-CD2 4.39Å |
| 1112 | D | 55.8 | Low | 61 | Low | 44 Ų | 44 | 51.3 Ų | 51.3 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -80.2 | -25.3 | -170.9 | -74.5 | -14.8 | 0 | 0 | 0 | 113.7 | N1079 D1110 F1114 G1115 | N1079-D1112 VanDerWaalsContact CB-OD2 3.3Å; N1079-D1112 WeakPolarHBondContact CB-OD2 3.24Å; N1079-D1112 PolarHBondContact ND2-OD2 2.6Å; D1110-D1112 PolarHBondContact O-N 3.29Å; D1110-D1112 PolarHBondContact OD1-N 3.15Å; D1110-D1112 VanDerWaalsContact OD1-N 3.1Å; D1112-F1114 PolarHBondContact O-N 3.41Å; D1112-G1115 PolarHBondContact O-N 3.47Å |
| 1113 | Q | 51.1 | Low | 58.5 | Low | 141 Ų | 141 | 55.3 Ų | 55.3 | 66% | 0.659 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -63 | -13.5 | 176.7 | -85.1 | -162.1 | 15 | 0 | 0 | 113.6 | G1115 P1141 | Q1113-G1115 VanDerWaalsContact C-N 3.28Å; Q1113-P1141 HydrophobicContact CB-CB 4.16Å; Q1113-P1141 HydrophobicContact CB-CG 3.77Å; Q1113-P1141 HydrophobicContact CG-CB 4.33Å; Q1113-P1141 HydrophobicContact CG-CG 4.46Å |
| 1114 | F | 50.8 | Low | 56.1 | Low | 35 Ų | 35 | 55.9 Ų | 55.9 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -86.6 | 3.7 | 173.3 | -63.5 | -70 | 0 | 0 | 0 | 113.9 | I1109 D1112 L1124 V1128 V1140 P1141 | I1109-F1114 HydrophobicContact CG2-CE2 4.27Å; D1112-F1114 PolarHBondContact O-N 3.41Å; F1114-L1124 HydrophobicContact CB-CD1 3.21Å; F1114-L1124 HydrophobicContact CB-CG 3.99Å; F1114-L1124 HydrophobicContact CD2-CD1 3.82Å; F1114-L1124 HydrophobicContact CD2-CD2 4.29Å; F1114-L1124 HydrophobicContact CD2-CG 4.15Å; F1114-L1124 HydrophobicContact CG-CD1 3.72Å; F1114-L1124 HydrophobicContact CG-CG 4.07Å; F1114-V1128 HydrophobicContact CD1-CG2 3.73Å; F1114-V1128 HydrophobicContact CE1-CG2 3.29Å; F1114-V1128 HydrophobicContact CE2-CG2 4.34Å; F1114-V1128 HydrophobicContact CG-CG2 4.43Å; F1114-V1128 HydrophobicContact CZ-CG2 3.6Å; F1114-V1140 HydrophobicContact CZ-CG1 4.42Å; F1114-P1141 HydrophobicContact CE2-CG 3.82Å; F1114-P1141 HydrophobicContact CZ-CG 3.9Å |
| 1115 | G | 41.2 | Very low | 54 | Low | 40 Ų | 40 | 58.3 Ų | 58.3 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | trans | 97.5 | 129.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1112 Q1113 S1117 | D1112-G1115 PolarHBondContact O-N 3.47Å; Q1113-G1115 VanDerWaalsContact C-N 3.28Å; G1115-S1117 PolarHBondContact O-N 3.11Å | ||
| 1116 | K | 41 | Very low | 52.2 | Low | 180 Ų | 180 | 64.7 Ų | 64.7 | 78% | 0.783 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 1.9 | -178.8 | -72.5 | -176.4 | 173.5 | 177.8 | 0 | 116.1 | ||
| 1117 | S | 38.8 | Very low | 50.6 | Low | 112 Ų | 112 | 66.7 Ų | 66.7 | 78% | 0.783 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -7 | -164.1 | -172.1 | 0 | 0 | 0 | 0 | 115.7 | G1115 | G1115-S1117 PolarHBondContact O-N 3.11Š|
| 1118 | T | 40.3 | Very low | 48.8 | Very low | 33 Ų | 33 | 66.9 Ų | 66.9 | 20% | 0.202 | 35% | 0.348 | C | S | . | . | trans | -101.3 | 113.2 | -173.1 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | G1120 E1123 | T1118-G1120 PolarHBondContact O-N 3.27Å; T1118-E1123 WeakPolarHBondContact CA-OE2 3.13Å; T1118-E1123 WeakPolarHBondContact CB-OE2 3.45Å; T1118-E1123 HydrophobicContact CG2-CB 3.94Å; T1118-E1123 HydrophobicContact CG2-CG 4.34Å; T1118-E1123 VanDerWaalsContact CG2-OE2 3.28Å; T1118-E1123 WeakPolarHBondContact CG2-OE2 3.18Å | ||
| 1119 | S | 39.4 | Very low | 47 | Very low | 110 Ų | 110 | 68.5 Ų | 68.5 | 77% | 0.769 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -67.8 | 31 | -174.4 | 46 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1120 | G | 39.7 | Very low | 45.9 | Very low | 11 Ų | 11 | 75.7 Ų | 75.7 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 177.2 | 138 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1118 E1122 E1123 L1124 Y1237 | T1118-G1120 PolarHBondContact O-N 3.27Å; G1120-E1122 PolarHBondContact O-N 3.17Å; G1120-E1122 VanDerWaalsContact O-N 3.08Å; G1120-E1123 PolarHBondContact O-N 3.13Å; G1120-L1124 PolarHBondContact O-N 3.32Å; G1120-Y1237 VanDerWaalsContact CA-CE2 3.46Å; G1120-Y1237 VanDerWaalsContact CA-OH 3.26Å; G1120-Y1237 WeakPolarHBondContact CA-OH 3.25Å |
| 1121 | W | 39.1 | Very low | 44.8 | Very low | 90 Ų | 90 | 78.6 Ų | 78.6 | 34% | 0.341 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -49.1 | -27.1 | 161.4 | -97.3 | 96.5 | 0 | 0 | 0 | 112.7 | I1111 L1124 V1125 Y1237 | I1111-W1121 HydrophobicContact CD1-CZ2 4.33Å; W1121-L1124 HydrophobicContact CD2-CD2 4.35Å; W1121-L1124 HydrophobicContact CE3-CD2 3.73Å; W1121-L1124 HydrophobicContact CH2-CD2 4.08Å; W1121-L1124 HydrophobicContact CZ3-CD2 3.57Å; W1121-L1124 PolarHBondContact O-N 3.32Å; W1121-V1125 HydrophobicContact CE3-CG2 4.34Å; W1121-V1125 WeakPolarHBondContact O-CB 3.44Å; W1121-V1125 WeakPolarHBondContact O-CG2 3.28Å; W1121-V1125 PolarHBondContact O-N 3.43Å; W1121-Y1237 PolarHBondContact N-OH 2.99Å; W1121-Y1237 VanDerWaalsContact N-OH 3.16Å |
| 1122 | E | 38.1 | Very low | 44.2 | Very low | 164 Ų | 164 | 77.9 Ų | 77.9 | 77% | 0.766 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 174.6 | -70.1 | -173 | 158.7 | 0 | 0 | 113.3 | G1120 Y1126 | G1120-E1122 PolarHBondContact O-N 3.17Å; G1120-E1122 VanDerWaalsContact O-N 3.08Å; E1122-Y1126 WeakPolarHBondContact O-CB 3.46Å; E1122-Y1126 PolarHBondContact O-N 3.45Å |
| 1123 | E | 41.6 | Very low | 43.8 | Very low | 84 Ų | 84 | 84.2 Ų | 84.2 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -80.2 | -30.1 | 177.8 | -111.6 | -172 | 150.1 | 0 | 0 | 112.7 | T1118 G1120 Y1126 H1127 | T1118-E1123 WeakPolarHBondContact CA-OE2 3.13Å; T1118-E1123 WeakPolarHBondContact CB-OE2 3.45Å; T1118-E1123 HydrophobicContact CG2-CB 3.94Å; T1118-E1123 HydrophobicContact CG2-CG 4.34Å; T1118-E1123 VanDerWaalsContact CG2-OE2 3.28Å; T1118-E1123 WeakPolarHBondContact CG2-OE2 3.18Å; G1120-E1123 PolarHBondContact O-N 3.13Å; E1123-Y1126 PolarHBondContact O-N 3.37Å; E1123-H1127 WeakPolarHBondContact O-CB 3.28Å; E1123-H1127 PolarHBondContact O-N 3.41Å; E1123-H1127 PolarHBondContact O-ND1 2.75Å; E1123-H1127 VanDerWaalsContact O-ND1 3.1Å |
| 1124 | L | 42.5 | Very low | 43.8 | Very low | 12 Ų | 12 | 84 Ų | 84 | 6% | 0.063 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 170 | -163.1 | 104.3 | 0 | 0 | 0 | 109.7 | I1111 F1114 G1120 W1121 Y1126 H1127 V1128 | I1111-L1124 HydrophobicContact CG2-CD1 4.1Å; I1111-L1124 HydrophobicContact CG2-CD2 4.39Å; F1114-L1124 HydrophobicContact CB-CD1 3.21Å; F1114-L1124 HydrophobicContact CB-CG 3.99Å; F1114-L1124 HydrophobicContact CD2-CD1 3.82Å; F1114-L1124 HydrophobicContact CD2-CD2 4.29Å; F1114-L1124 HydrophobicContact CD2-CG 4.15Å; F1114-L1124 HydrophobicContact CG-CD1 3.72Å; F1114-L1124 HydrophobicContact CG-CG 4.07Å; G1120-L1124 PolarHBondContact O-N 3.32Å; W1121-L1124 HydrophobicContact CD2-CD2 4.35Å; W1121-L1124 HydrophobicContact CE3-CD2 3.73Å; W1121-L1124 HydrophobicContact CH2-CD2 4.08Å; W1121-L1124 HydrophobicContact CZ3-CD2 3.57Å; W1121-L1124 PolarHBondContact O-N 3.32Å; L1124-Y1126 VanDerWaalsContact C-N 3.3Å; L1124-Y1126 PolarHBondContact O-N 3.4Å; L1124-H1127 PolarHBondContact O-N 3.43Å; L1124-V1128 VanDerWaalsContact O-CG2 3.3Å; L1124-V1128 WeakPolarHBondContact O-CG2 3.07Å; L1124-V1128 PolarHBondContact O-N 2.8Å |
| 1125 | V | 45.2 | Very low | 43.4 | Very low | 50 Ų | 50 | 85.9 Ų | 85.9 | 30% | 0.303 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | W1121 N1129 | W1121-V1125 HydrophobicContact CE3-CG2 4.34Å; W1121-V1125 WeakPolarHBondContact O-CB 3.44Å; W1121-V1125 WeakPolarHBondContact O-CG2 3.28Å; W1121-V1125 PolarHBondContact O-N 3.43Å; V1125-N1129 WeakPolarHBondContact CG1-ND2 3.43Å; V1125-N1129 WeakPolarHBondContact O-CB 3.09Å; V1125-N1129 PolarHBondContact O-N 3.39Å; V1125-N1129 PolarHBondContact O-ND2 2.79Å; V1125-N1129 PolarHBondContact O-OD1 2.88Å |
| 1126 | Y | 46.4 | Very low | 43.6 | Very low | 136 Ų | 136 | 88.6 Ų | 88.6 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 174.9 | -175.5 | -95.9 | 0 | 0 | 0 | 113.2 | E1122 E1123 L1124 N1129 R1130 | E1122-Y1126 WeakPolarHBondContact O-CB 3.46Å; E1122-Y1126 PolarHBondContact O-N 3.45Å; E1123-Y1126 PolarHBondContact O-N 3.37Å; L1124-Y1126 VanDerWaalsContact C-N 3.3Å; L1124-Y1126 PolarHBondContact O-N 3.4Å; Y1126-N1129 PolarHBondContact O-N 3.49Å; Y1126-R1130 PolarHBondContact O-N 2.04Å |
| 1127 | H | 48 | Very low | 43.7 | Very low | 79 Ų | 79 | 88.5 Ų | 88.5 | 37% | 0.366 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 178.3 | -86.9 | 88.9 | 0 | 0 | 0 | 112.1 | E1123 L1124 N1129 R1130 L1131 | E1123-H1127 WeakPolarHBondContact O-CB 3.28Å; E1123-H1127 PolarHBondContact O-N 3.41Å; E1123-H1127 PolarHBondContact O-ND1 2.75Å; E1123-H1127 VanDerWaalsContact O-ND1 3.1Å; L1124-H1127 PolarHBondContact O-N 3.43Å; H1127-N1129 VanDerWaalsContact C-N 3.34Å; H1127-R1130 PolarHBondContact O-N 2.99Å; H1127-L1131 WeakPolarHBondContact O-CG 3.34Å; H1127-L1131 PolarHBondContact O-N 3.4Å |
| 1128 | V | 46.5 | Very low | 44 | Very low | 5 Ų | 5 | 86 Ų | 86 | 3% | 0.03 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 173.8 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | F1114 L1124 R1130 L1131 I1132 E1179 | F1114-V1128 HydrophobicContact CD1-CG2 3.73Å; F1114-V1128 HydrophobicContact CE1-CG2 3.29Å; F1114-V1128 HydrophobicContact CE2-CG2 4.34Å; F1114-V1128 HydrophobicContact CG-CG2 4.43Å; F1114-V1128 HydrophobicContact CZ-CG2 3.6Å; L1124-V1128 VanDerWaalsContact O-CG2 3.3Å; L1124-V1128 WeakPolarHBondContact O-CG2 3.07Å; L1124-V1128 PolarHBondContact O-N 2.8Å; V1128-R1130 PolarHBondContact O-N 3.36Å; V1128-L1131 PolarHBondContact O-N 2.72Å; V1128-L1131 VanDerWaalsContact O-N 3.14Å; V1128-I1132 HydrophobicContact CG1-CD1 3.39Å; V1128-I1132 HydrophobicContact CG1-CG1 3.9Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.16Å; V1128-I1132 PolarHBondContact O-N 2.61Å; V1128-E1179 VanDerWaalsContact CG1-OE2 3.24Å; V1128-E1179 WeakPolarHBondContact CG1-OE2 3.37Å |
| 1129 | N | 46.2 | Very low | 44.3 | Very low | 34 Ų | 34 | 87.3 Ų | 87.3 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.4 | -37.4 | 176 | -74.7 | -10.1 | 0 | 0 | 0 | 112.1 | V1125 Y1126 H1127 K1133 F1180 | V1125-N1129 WeakPolarHBondContact CG1-ND2 3.43Å; V1125-N1129 WeakPolarHBondContact O-CB 3.09Å; V1125-N1129 PolarHBondContact O-N 3.39Å; V1125-N1129 PolarHBondContact O-ND2 2.79Å; V1125-N1129 PolarHBondContact O-OD1 2.88Å; Y1126-N1129 PolarHBondContact O-N 3.49Å; H1127-N1129 VanDerWaalsContact C-N 3.34Å; N1129-K1133 WeakPolarHBondContact O-CB 3.11Å; N1129-K1133 PolarHBondContact O-N 3.39Å; N1129-K1133 VanDerWaalsContact O-N 3.11Å; N1129-F1180 HydrophobicContact CB-CE2 3.74Å; N1129-F1180 HydrophobicContact CB-CZ 4.05Å; N1129-F1180 VanDerWaalsContact ND2-CZ 3.32Å; N1129-F1180 WeakPolarHBondContact ND2-CZ 3.29Å; N1129-F1180 WeakPolarHBondContact OD1-CD2 3.36Å; N1129-F1180 WeakPolarHBondContact OD1-CE2 3.47Å; N1129-F1180 VanDerWaalsContact OD1-CZ 3.23Å; N1129-F1180 WeakPolarHBondContact OD1-CZ 3.24Å |
| 1130 | R | 48 | Very low | 45.2 | Very low | 156 Ų | 156 | 83.2 Ų | 83.2 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -73.4 | -37 | 177.4 | -161.1 | 175.3 | -173.2 | 167.9 | 1.6 | 112.1 | Y1126 H1127 V1128 N1134 | Y1126-R1130 PolarHBondContact O-N 2.04Å; H1127-R1130 PolarHBondContact O-N 2.99Å; V1128-R1130 PolarHBondContact O-N 3.36Å; R1130-N1134 PolarHBondContact O-ND2 2.83Å; R1130-N1134 VanDerWaalsContact O-ND2 3.13Å |
| 1131 | L | 45.2 | Very low | 46.2 | Very low | 87 Ų | 87 | 83.8 Ų | 83.8 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.5 | -47.4 | 176.3 | -74.5 | 165.4 | 0 | 0 | 0 | 111.7 | H1127 V1128 N1134 D1135 | H1127-L1131 WeakPolarHBondContact O-CG 3.34Å; H1127-L1131 PolarHBondContact O-N 3.4Å; V1128-L1131 PolarHBondContact O-N 2.72Å; V1128-L1131 VanDerWaalsContact O-N 3.14Å; L1131-N1134 PolarHBondContact O-N 3.47Å; L1131-D1135 PolarHBondContact O-N 2.95Å |
| 1132 | I | 43.8 | Very low | 47.7 | Very low | 32 Ų | 32 | 81.3 Ų | 81.3 | 16% | 0.164 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -74.4 | -33.6 | -176 | -62.8 | -179 | 0 | 0 | 0 | 112.5 | V1128 N1134 D1135 | V1128-I1132 HydrophobicContact CG1-CD1 3.39Å; V1128-I1132 HydrophobicContact CG1-CG1 3.9Å; V1128-I1132 WeakPolarHBondContact O-CG1 3.16Å; V1128-I1132 PolarHBondContact O-N 2.61Å; I1132-N1134 PolarHBondContact O-N 2.87Å; I1132-D1135 CarbonylContact O-C 3.53Å; I1132-D1135 VanDerWaalsContact O-C 3.23Å; I1132-D1135 PolarHBondContact O-N 2.73Å |
| 1133 | K | 46.3 | Very low | 49.4 | Very low | 177 Ų | 177 | 73.7 Ų | 73.7 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.4 | -30.4 | 171.9 | -102.9 | -174.6 | 172.8 | 178.9 | 0 | 112.4 | N1129 | N1129-K1133 WeakPolarHBondContact O-CB 3.11Å; N1129-K1133 PolarHBondContact O-N 3.39Å; N1129-K1133 VanDerWaalsContact O-N 3.11Å |
| 1134 | N | 50.8 | Low | 51.1 | Low | 136 Ų | 136 | 74.2 Ų | 74.2 | 73% | 0.727 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -88.6 | -29.2 | -178.4 | -69 | -18.2 | 0 | 0 | 0 | 112.2 | R1130 L1131 I1132 | R1130-N1134 PolarHBondContact O-ND2 2.83Å; R1130-N1134 VanDerWaalsContact O-ND2 3.13Å; L1131-N1134 PolarHBondContact O-N 3.47Å; I1132-N1134 PolarHBondContact O-N 2.87Å |
| 1135 | D | 43.7 | Very low | 53 | Low | 75 Ų | 75 | 75.6 Ų | 75.6 | 40% | 0.401 | 39% | 0.385 | S | S | . | . | trans | -149.1 | 111.5 | 167 | -171.3 | -7.3 | 0 | 0 | 0 | 111.5 | L1131 I1132 K1137 V1138 | L1131-D1135 PolarHBondContact O-N 2.95Å; I1132-D1135 CarbonylContact O-C 3.53Å; I1132-D1135 VanDerWaalsContact O-C 3.23Å; I1132-D1135 PolarHBondContact O-N 2.73Å; D1135-K1137 PolarHBondContact O-N 2.84Å; D1135-K1137 WeakPolarHBondContact OD1-CB 3.3Å; D1135-K1137 PolarHBondContact OD1-N 3.42Å; D1135-V1138 HydrophobicContact CB-CG2 4.18Å; D1135-V1138 WeakPolarHBondContact O-CG2 3.29Å; D1135-V1138 PolarHBondContact O-N 2.82Å | ||
| 1136 | P | 44.4 | Very low | 54.7 | Low | 97 Ų | 97 | 79.1 Ų | 79.1 | 63% | 0.63 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -0.9 | 177.9 | 24.6 | -31.4 | 0 | 0 | 0 | 114.5 | ||
| 1137 | K | 44.6 | Very low | 56.5 | Low | 179 Ų | 179 | 75.4 Ų | 75.4 | 78% | 0.778 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -1.5 | 176.9 | -62.5 | -178.6 | -179.5 | 177.4 | 0 | 115.1 | D1135 A1139 | D1135-K1137 PolarHBondContact O-N 2.84Å; D1135-K1137 WeakPolarHBondContact OD1-CB 3.3Å; D1135-K1137 PolarHBondContact OD1-N 3.42Å; K1137-A1139 PolarHBondContact O-N 3.16Å |
| 1138 | V | 44.3 | Very low | 58.3 | Low | 60 Ų | 60 | 71.7 Ų | 71.7 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | trans | -63.7 | 108 | 178.4 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | D1135 V1140 | D1135-V1138 HydrophobicContact CB-CG2 4.18Å; D1135-V1138 WeakPolarHBondContact O-CG2 3.29Å; D1135-V1138 PolarHBondContact O-N 2.82Å; V1138-V1140 PolarHBondContact O-N 3.16Å | ||
| 1139 | A | 46.9 | Very low | 60.3 | Low | 60 Ų | 60 | 72.9 Ų | 72.9 | 50% | 0.496 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 126.9 | 177 | 0 | 0 | 0 | 0 | 0 | 109.9 | K1137 | K1137-A1139 PolarHBondContact O-N 3.16Š|
| 1140 | V | 57.6 | Low | 62.6 | Low | 24 Ų | 24 | 71.3 Ų | 71.3 | 15% | 0.145 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 126.4 | 172.2 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | I1109 F1114 V1138 F1177 | I1109-V1140 HydrophobicContact CB-CG1 4.3Å; I1109-V1140 HydrophobicContact CD1-CG1 3.79Å; I1109-V1140 HydrophobicContact CG1-CG1 3.74Å; I1109-V1140 HydrophobicContact CG2-CG1 3.66Å; F1114-V1140 HydrophobicContact CZ-CG1 4.42Å; V1138-V1140 PolarHBondContact O-N 3.16Å; V1140-F1177 HydrophobicContact CG2-CD1 4.48Å |
| 1141 | P | 61.2 | Low | 64.8 | Low | 22 Ų | 22 | 65.3 Ų | 65.3 | 14% | 0.143 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 135.2 | 179.1 | 25.7 | -30.6 | 0 | 0 | 0 | 110.3 | I1109 D1110 Q1113 F1114 | I1109-P1141 WeakPolarHBondContact CA-O 3.46Å; D1110-P1141 HydrophobicContact CB-CB 4.37Å; D1110-P1141 PolarHBondContact N-O 2.65Å; Q1113-P1141 HydrophobicContact CB-CB 4.16Å; Q1113-P1141 HydrophobicContact CB-CG 3.77Å; Q1113-P1141 HydrophobicContact CG-CB 4.33Å; Q1113-P1141 HydrophobicContact CG-CG 4.46Å; F1114-P1141 HydrophobicContact CE2-CG 3.82Å; F1114-P1141 HydrophobicContact CZ-CG 3.9Å |
| 1142 | L | 70.4 | Confident | 67.1 | Low | 38 Ų | 38 | 61.1 Ų | 61.1 | 20% | 0.199 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -104.2 | 148.8 | 179 | -56.9 | 172.1 | 0 | 0 | 0 | 109.1 | I1108 I1172 P1174 | I1108-L1142 HydrophobicContact CD1-CD2 3.94Å; I1108-L1142 HydrophobicContact CG1-CD2 4.14Å; I1108-L1142 CarbonylContact O-C 3.6Å; I1108-L1142 VanDerWaalsContact O-CA 3.23Å; I1108-L1142 WeakPolarHBondContact O-CA 3.41Å; L1142-I1172 HydrophobicContact CD1-CG2 4.31Å; L1142-P1174 HydrophobicContact CD1-CB 4.46Å; L1142-P1174 HydrophobicContact CD1-CG 3.62Å; L1142-P1174 HydrophobicContact CD2-CB 4.32Å; L1142-P1174 HydrophobicContact CD2-CG 4.23Å; L1142-P1174 HydrophobicContact CG-CG 4.5Å |
| 1143 | A | 74.5 | Confident | 69.2 | Low | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | trans | -57.5 | 149.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1076 I1108 V1148 I1172 | V1076-A1143 HydrophobicContact CG1-CB 3.53Å; I1108-A1143 PolarHBondContact O-N 3Å; A1143-V1148 HydrophobicContact CB-CG2 4.27Å; A1143-I1172 VanDerWaalsContact O-CD1 3.26Å; A1143-I1172 WeakPolarHBondContact O-CD1 2.95Å | ||
| 1144 | N | 77.6 | Confident | 71.2 | Confident | 96 Ų | 96 | 52.1 Ų | 52.1 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | trans | -71.2 | 148.6 | 174.5 | -56.9 | -61.2 | 0 | 0 | 0 | 109.9 | E1146 D1147 | N1144-E1146 PolarHBondContact O-N 2.72Å; N1144-E1146 VanDerWaalsContact O-N 3.14Å; N1144-D1147 WeakPolarHBondContact CB-OD2 3.41Å; N1144-D1147 PolarHBondContact ND2-OD2 3.21Å; N1144-D1147 WeakPolarHBondContact O-CB 3.48Å; N1144-D1147 PolarHBondContact O-N 3.29Å | ||
| 1145 | P | 81.1 | Confident | 72.9 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 26% | 0.26 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -53.9 | -33.5 | 177 | -26.7 | 34.5 | 0 | 0 | 0 | 114.3 | D1147 V1148 V1169 I1172 | P1145-D1147 VanDerWaalsContact C-N 3.27Å; P1145-D1147 PolarHBondContact O-N 3.15Å; P1145-V1148 PolarHBondContact O-N 2.77Å; P1145-V1169 HydrophobicContact CB-CB 4.45Å; P1145-V1169 HydrophobicContact CB-CG1 4.25Å; P1145-V1169 VanDerWaalsContact CB-O 3.24Å; P1145-V1169 WeakPolarHBondContact CB-O 3.21Å; P1145-I1172 HydrophobicContact CB-CD1 4.42Å; P1145-I1172 HydrophobicContact CB-CG1 4.46Å; P1145-I1172 HydrophobicContact CG-CD1 4.22Å; P1145-I1172 HydrophobicContact CG-CG1 4.21Å |
| 1146 | E | 80.4 | Confident | 75 | Confident | 124 Ų | 124 | 43.8 Ų | 43.8 | 58% | 0.579 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -69.6 | -23.7 | 179.1 | -53.2 | -166.1 | 147.8 | 0 | 0 | 113.3 | N1144 V1148 Y1476 | N1144-E1146 PolarHBondContact O-N 2.72Å; N1144-E1146 VanDerWaalsContact O-N 3.14Å; E1146-V1148 PolarHBondContact O-N 3.23Å; E1146-Y1476 WeakPolarHBondContact OE1-CE1 3.37Å; E1146-Y1476 PolarHBondContact OE1-OH 2.88Å; E1146-Y1476 VanDerWaalsContact OE1-OH 3.14Å |
| 1147 | D | 84.5 | Confident | 76.7 | Confident | 59 Ų | 59 | 40.5 Ų | 40.5 | 32% | 0.316 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -82.7 | -2.7 | 177.9 | -64.5 | -41.5 | 0 | 0 | 0 | 112.3 | V1076 T1077 N1144 P1145 | V1076-D1147 WeakPolarHBondContact CA-O 3.5Å; T1077-D1147 PolarHBondContact N-O 2.85Å; T1077-D1147 WeakPolarHBondContact O-CB 3.39Å; N1144-D1147 WeakPolarHBondContact CB-OD2 3.41Å; N1144-D1147 PolarHBondContact ND2-OD2 3.21Å; N1144-D1147 WeakPolarHBondContact O-CB 3.48Å; N1144-D1147 PolarHBondContact O-N 3.29Å; P1145-D1147 VanDerWaalsContact C-N 3.27Å; P1145-D1147 PolarHBondContact O-N 3.15Å |
| 1148 | V | 87.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 113.4 | -175.3 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | I1074 Y1075 V1076 A1143 P1145 E1146 V1150 V1169 I1172 L1189 | I1074-V1148 HydrophobicContact CG2-CG1 3.68Å; Y1075-V1148 WeakPolarHBondContact O-CA 3.39Å; V1076-V1148 HydrophobicContact CG1-CG2 4.16Å; V1076-V1148 HydrophobicContact CG2-CG1 4.25Å; V1076-V1148 HydrophobicContact CG2-CG2 4.01Å; A1143-V1148 HydrophobicContact CB-CG2 4.27Å; P1145-V1148 PolarHBondContact O-N 2.77Å; E1146-V1148 PolarHBondContact O-N 3.23Å; V1148-V1150 HydrophobicContact CG1-CG2 4.48Å; V1148-V1169 HydrophobicContact CB-CB 4.24Å; V1148-V1169 HydrophobicContact CB-CG2 3.97Å; V1148-V1169 HydrophobicContact CG1-CB 4.43Å; V1148-V1169 HydrophobicContact CG1-CG2 3.66Å; V1148-I1172 HydrophobicContact CG2-CD1 3.81Å; V1148-L1189 HydrophobicContact CG1-CD1 4.37Å |
| 1149 | D | 88.4 | Confident | 79.8 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 16% | 0.16 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.7 | 174.8 | -80.4 | -34.5 | 0 | 0 | 0 | 111.1 | I1074 Y1075 Y1151 K1166 | I1074-D1149 WeakPolarHBondContact CA-O 3.32Å; Y1075-D1149 PolarHBondContact N-O 3.03Å; Y1075-D1149 PolarHBondContact O-N 3.39Å; D1149-Y1151 HydrophobicContact CB-CE2 3.82Å; D1149-K1166 WeakPolarHBondContact OD1-CE 3.42Å; D1149-K1166 IonicContact OD1-NZ 2.67Å; D1149-K1166 PolarHBondContact OD1-NZ 2.98Å; D1149-K1166 IonicContact OD2-NZ 3.89Å; D1149-K1166 PolarHBondContact OD2-NZ 2.78Å |
| 1150 | V | 94 | Very high | 80.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.3 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | A1072 I1074 V1101 V1148 F1152 Y1167 V1169 L1189 L1191 | A1072-V1150 HydrophobicContact CB-CG1 4.11Å; I1074-V1150 HydrophobicContact CG1-CG1 4.44Å; I1074-V1150 HydrophobicContact CG1-CG2 4.27Å; V1101-V1150 HydrophobicContact CG2-CG1 4.38Å; V1148-V1150 HydrophobicContact CG1-CG2 4.48Å; V1150-F1152 HydrophobicContact CG1-CD2 4.48Å; V1150-F1152 HydrophobicContact CG1-CE1 4.49Å; V1150-F1152 HydrophobicContact CG1-CE2 3.68Å; V1150-F1152 HydrophobicContact CG1-CZ 3.69Å; V1150-Y1167 PolarHBondContact N-O 2.93Å; V1150-Y1167 PolarHBondContact O-N 2.9Å; V1150-V1169 HydrophobicContact CG2-CG2 3.6Å; V1150-L1189 HydrophobicContact CG2-CD1 4.17Å; V1150-L1191 HydrophobicContact CB-CD2 3.99Å; V1150-L1191 HydrophobicContact CG1-CD2 4.31Å; V1150-L1191 HydrophobicContact CG2-CD2 3.98Å |
| 1151 | Y | 93.3 | Very high | 81.9 | Confident | 30 Ų | 30 | 43.9 Ų | 43.9 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.6 | 178.1 | -60.6 | -97.4 | 0 | 0 | 0 | 111.8 | L1073 Y1075 D1149 R1164 Q1165 K1166 | L1073-Y1151 PolarHBondContact N-O 2.83Å; L1073-Y1151 PolarHBondContact O-N 3.49Å; Y1075-Y1151 AromaticContact CD2-CD2 3.91Å; Y1075-Y1151 HydrophobicContact CD2-CD2 3.91Å; Y1075-Y1151 AromaticContact CD2-CE2 3.67Å; Y1075-Y1151 HydrophobicContact CD2-CE2 3.67Å; Y1075-Y1151 HydrophobicContact CE2-CD2 4.19Å; Y1075-Y1151 HydrophobicContact CE2-CE2 4.07Å; D1149-Y1151 HydrophobicContact CB-CE2 3.82Å; Y1151-R1164 HydrophobicContact CD1-CG 4Å; Y1151-Q1165 WeakPolarHBondContact CA-O 3.38Å; Y1151-K1166 HydrophobicContact CD1-CB 3.84Å; Y1151-K1166 HydrophobicContact CD1-CG 4.11Å; Y1151-K1166 HydrophobicContact CE1-CB 3.67Å; Y1151-K1166 HydrophobicContact CE1-CD 3.82Å; Y1151-K1166 HydrophobicContact CE1-CG 3.66Å |
| 1152 | F | 93.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 157.9 | 173.2 | -64.8 | -73.4 | 0 | 0 | 0 | 111.7 | A1072 L1089 V1101 V1150 A1154 R1164 Q1165 Y1167 L1191 V1195 I1201 | A1072-F1152 HydrophobicContact CB-CD1 4.14Å; A1072-F1152 HydrophobicContact CB-CE1 3.42Å; A1072-F1152 VanDerWaalsContact CB-CE1 3.42Å; A1072-F1152 HydrophobicContact CB-CZ 3.94Å; L1089-F1152 HydrophobicContact CB-CD1 4.25Å; L1089-F1152 HydrophobicContact CB-CE1 3.62Å; L1089-F1152 HydrophobicContact CB-CZ 4.19Å; L1089-F1152 HydrophobicContact CD1-CE1 4.21Å; L1089-F1152 HydrophobicContact CD1-CE2 4.48Å; L1089-F1152 HydrophobicContact CD1-CZ 3.93Å; L1089-F1152 HydrophobicContact CD2-CD1 4.26Å; L1089-F1152 HydrophobicContact CD2-CE1 4.21Å; L1089-F1152 HydrophobicContact CG-CE1 4.24Å; L1089-F1152 HydrophobicContact CG-CZ 4.46Å; V1101-F1152 HydrophobicContact CG2-CE2 4.43Å; V1101-F1152 HydrophobicContact CG2-CZ 3.64Å; V1150-F1152 HydrophobicContact CG1-CD2 4.48Å; V1150-F1152 HydrophobicContact CG1-CE1 4.49Å; V1150-F1152 HydrophobicContact CG1-CE2 3.68Å; V1150-F1152 HydrophobicContact CG1-CZ 3.69Å; F1152-A1154 PolarHBondContact O-N 2.82Å; F1152-R1164 CarbonylContact O-C 3.52Å; F1152-R1164 WeakPolarHBondContact O-CA 3.46Å; F1152-Q1165 PolarHBondContact N-O 2.8Å; F1152-Q1165 PolarHBondContact O-N 2.98Å; F1152-Y1167 AromaticContact CD2-CD2 3.71Å; F1152-Y1167 HydrophobicContact CD2-CD2 3.71Å; F1152-Y1167 AromaticContact CD2-CE2 3.96Å; F1152-Y1167 HydrophobicContact CD2-CE2 3.96Å; F1152-Y1167 HydrophobicContact CE2-CD2 4.09Å; F1152-L1191 HydrophobicContact CE2-CD1 3.64Å; F1152-L1191 HydrophobicContact CZ-CD1 4.15Å; F1152-V1195 HydrophobicContact CD2-CG1 4.17Å; F1152-V1195 HydrophobicContact CD2-CG2 3.91Å; F1152-V1195 HydrophobicContact CE2-CG2 3.73Å; F1152-V1195 HydrophobicContact CG-CG1 4.48Å; F1152-V1195 HydrophobicContact CZ-CG2 4.5Å; F1152-I1201 HydrophobicContact CB-CD1 3.78Å; F1152-I1201 HydrophobicContact CB-CG1 4.01Å; F1152-I1201 HydrophobicContact CB-CG2 3.92Å; F1152-I1201 HydrophobicContact CG-CG2 4.37Å |
| 1153 | G | 89.1 | Confident | 83.4 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 7% | 0.072 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 73.8 | 10.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1163 | G1153-T1163 WeakPolarHBondContact O-CB 3.04Å; G1153-T1163 PolarHBondContact O-OG1 3.01Å |
| 1154 | A | 87.3 | Confident | 84 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | trans | -84.9 | 133.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1152 R1164 W1225 | F1152-A1154 PolarHBondContact O-N 2.82Å; A1154-R1164 HydrophobicContact CB-CG 4.16Å; A1154-W1225 HydrophobicContact CB-CZ2 4.38Å; A1154-W1225 WeakPolarHBondContact O-CZ2 3.12Å | ||
| 1155 | H | 87 | Confident | 84.5 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.028 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -113.9 | -53.4 | 168.4 | 179.4 | 63.8 | 0 | 0 | 0 | 110.2 | K1062 A1063 E1161 W1225 E1246 L1247 | K1062-H1155 WeakPolarHBondContact CE-NE2 3.2Å; A1063-H1155 PolarHBondContact O-CE1 2.99Å; H1155-E1161 PolarHBondContact N-OE2 3.37Å; H1155-W1225 PolarHBondContact O-NE1 3.01Å; H1155-E1246 CarbonylContact O-C 3.51Å; H1155-E1246 VanDerWaalsContact O-CA 3.28Å; H1155-E1246 WeakPolarHBondContact O-CA 3.31Å; H1155-L1247 PolarHBondContact O-N 2.79Å |
| 1156 | N | 87.7 | Confident | 85.1 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 17% | 0.166 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -100.6 | 109.6 | 174.4 | -167.5 | -40.6 | 0 | 0 | 0 | 111.5 | K1158 E1161 N1245 E1246 | N1156-K1158 VanDerWaalsContact C-N 3.34Å; N1156-K1158 PolarHBondContact O-N 3.27Å; N1156-K1158 WeakPolarHBondContact OD1-CB 3.26Å; N1156-K1158 PolarHBondContact OD1-N 2.91Å; N1156-K1158 VanDerWaalsContact OD1-N 3.08Å; N1156-E1161 WeakPolarHBondContact CB-OE1 3.43Å; N1156-E1161 PolarHBondContact N-OE1 3.35Å; N1156-N1245 CarbonylContact C-O 3.25Å; N1156-N1245 VanDerWaalsContact CA-O 3.26Å; N1156-N1245 WeakPolarHBondContact CA-O 3.5Å; N1156-E1246 HydrophobicContact CB-CG 4.13Å; N1156-E1246 PolarHBondContact ND2-OE1 3.06Å |
| 1157 | I | 81.3 | Confident | 85.6 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -11.3 | -177.4 | 58.1 | 163.8 | 0 | 0 | 0 | 114.2 | L1073 W1225 N1245 | L1073-I1157 HydrophobicContact CD2-CG2 3.62Å; I1157-W1225 HydrophobicContact CD1-CB 4.47Å; I1157-W1225 HydrophobicContact CD1-CG 4.29Å; I1157-W1225 HydrophobicContact CG2-CD2 4.28Å; I1157-W1225 HydrophobicContact CG2-CG 4.43Å; I1157-W1225 HydrophobicContact CG2-CZ2 4.09Å; I1157-N1245 VanDerWaalsContact CG1-O 3.25Å; I1157-N1245 WeakPolarHBondContact CG1-O 3.31Å; I1157-N1245 PolarHBondContact N-O 3.08Å |
| 1158 | K | 77.7 | Confident | 85.8 | Confident | 139 Ų | 139 | 47.7 Ų | 47.7 | 60% | 0.604 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -30.7 | 176.5 | -171.6 | 177.7 | 178.5 | -176.8 | 0 | 111.8 | N1156 N1245 | N1156-K1158 VanDerWaalsContact C-N 3.34Å; N1156-K1158 PolarHBondContact O-N 3.27Å; N1156-K1158 WeakPolarHBondContact OD1-CB 3.26Å; N1156-K1158 PolarHBondContact OD1-N 2.91Å; N1156-K1158 VanDerWaalsContact OD1-N 3.08Å; K1158-N1245 HydrophobicContact CB-CB 3.99Å |
| 1159 | H | 75.1 | Confident | 85.7 | Confident | 114 Ų | 114 | 48 Ų | 48 | 53% | 0.528 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -121.4 | 124.1 | -179.5 | -58.5 | 82.8 | 0 | 0 | 0 | 109.4 | E1161 | H1159-E1161 PolarHBondContact O-N 3.01Š|
| 1160 | P | 66.6 | Low | 85.3 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | trans | -54.6 | 108.4 | 170.3 | -24.3 | 34.1 | 0 | 0 | 0 | 110.8 | ||||
| 1161 | E | 81.7 | Confident | 84.5 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | trans | -80.8 | 143.8 | 173.2 | -65.8 | 168.8 | 164.8 | 0 | 0 | 110.3 | H1066 H1155 N1156 H1159 T1163 R1164 | H1066-E1161 IonicContact CE1-OE2 3.78Å; H1155-E1161 PolarHBondContact N-OE2 3.37Å; N1156-E1161 WeakPolarHBondContact CB-OE1 3.43Å; N1156-E1161 PolarHBondContact N-OE1 3.35Å; H1159-E1161 PolarHBondContact O-N 3.01Å; E1161-T1163 WeakPolarHBondContact CB-OG1 3.24Å; E1161-T1163 PolarHBondContact O-N 3.13Å; E1161-T1163 VanDerWaalsContact O-N 3.14Å; E1161-R1164 WeakPolarHBondContact O-CB 3.42Å; E1161-R1164 PolarHBondContact O-N 3.42Å | ||
| 1162 | D | 78.4 | Confident | 84 | Confident | 175 Ų | 175 | 50.4 Ų | 50.4 | 94% | 0.936 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.6 | 176.6 | -64.7 | -28.3 | 0 | 0 | 0 | 113 | R1164 | D1162-R1164 PolarHBondContact O-N 2.95Š|
| 1163 | T | 85 | Confident | 83.4 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 13% | 0.129 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -15.9 | 174.5 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | H1066 G1153 E1161 Y1200 | H1066-T1163 PolarHBondContact CE1-OG1 2.67Å; H1066-T1163 VanDerWaalsContact CE1-OG1 3.24Å; G1153-T1163 WeakPolarHBondContact O-CB 3.04Å; G1153-T1163 PolarHBondContact O-OG1 3.01Å; E1161-T1163 WeakPolarHBondContact CB-OG1 3.24Å; E1161-T1163 PolarHBondContact O-N 3.13Å; E1161-T1163 VanDerWaalsContact O-N 3.14Å; T1163-Y1200 HydrophobicContact CG2-CD1 4.04Å; T1163-Y1200 HydrophobicContact CG2-CD2 3.42Å; T1163-Y1200 VanDerWaalsContact CG2-CD2 3.42Å; T1163-Y1200 HydrophobicContact CG2-CE1 4.03Å; T1163-Y1200 HydrophobicContact CG2-CE2 3.43Å; T1163-Y1200 VanDerWaalsContact CG2-CE2 3.43Å; T1163-Y1200 HydrophobicContact CG2-CG 3.71Å |
| 1164 | R | 86.7 | Confident | 82.8 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | trans | -78.7 | 128.8 | -173.2 | -172.5 | 178.6 | 69.8 | 175.2 | 5.2 | 111.7 | Y1151 F1152 A1154 E1161 D1162 | Y1151-R1164 HydrophobicContact CD1-CG 4Å; F1152-R1164 CarbonylContact O-C 3.52Å; F1152-R1164 WeakPolarHBondContact O-CA 3.46Å; A1154-R1164 HydrophobicContact CB-CG 4.16Å; E1161-R1164 WeakPolarHBondContact O-CB 3.42Å; E1161-R1164 PolarHBondContact O-N 3.42Å; D1162-R1164 PolarHBondContact O-N 2.95Å | ||
| 1165 | Q | 89.7 | Confident | 82 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.6 | 174.9 | -61 | 179.6 | 19.9 | 0 | 0 | 110.6 | Y1151 F1152 Y1167 N1196 N1198 I1201 | Y1151-Q1165 WeakPolarHBondContact CA-O 3.38Å; F1152-Q1165 PolarHBondContact N-O 2.8Å; F1152-Q1165 PolarHBondContact O-N 2.98Å; Q1165-Y1167 HydrophobicContact CB-CD2 4.37Å; Q1165-Y1167 HydrophobicContact CB-CE2 3.51Å; Q1165-Y1167 PolarHBondContact OE1-OH 2.89Å; Q1165-N1196 PolarHBondContact NE2-O 2.85Å; Q1165-N1198 PolarHBondContact NE2-ND2 3.34Å; Q1165-N1198 VanDerWaalsContact NE2-ND2 3.15Å; Q1165-I1201 HydrophobicContact CB-CD1 4.07Å; Q1165-I1201 VanDerWaalsContact CD-CD1 3.47Å; Q1165-I1201 HydrophobicContact CG-CD1 3.7Å |
| 1166 | K | 91.9 | Very high | 81 | Confident | 93 Ų | 93 | 59 Ų | 59 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136.7 | 176.8 | -177.3 | -178.7 | 173.9 | 168.1 | 0 | 110.6 | D1149 Y1151 R1193 | D1149-K1166 WeakPolarHBondContact OD1-CE 3.42Å; D1149-K1166 IonicContact OD1-NZ 2.67Å; D1149-K1166 PolarHBondContact OD1-NZ 2.98Å; D1149-K1166 IonicContact OD2-NZ 3.89Å; D1149-K1166 PolarHBondContact OD2-NZ 2.78Å; Y1151-K1166 HydrophobicContact CD1-CB 3.84Å; Y1151-K1166 HydrophobicContact CD1-CG 4.11Å; Y1151-K1166 HydrophobicContact CE1-CB 3.67Å; Y1151-K1166 HydrophobicContact CE1-CD 3.82Å; Y1151-K1166 HydrophobicContact CE1-CG 3.66Å; K1166-R1193 PolarHBondContact O-NH2 3.34Å |
| 1167 | Y | 92 | Very high | 79.5 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.1 | 174.5 | -64.8 | -94.5 | 0 | 0 | 0 | 109.9 | V1150 F1152 Q1165 L1191 R1193 V1195 N1196 | V1150-Y1167 PolarHBondContact N-O 2.93Å; V1150-Y1167 PolarHBondContact O-N 2.9Å; F1152-Y1167 AromaticContact CD2-CD2 3.71Å; F1152-Y1167 HydrophobicContact CD2-CD2 3.71Å; F1152-Y1167 AromaticContact CD2-CE2 3.96Å; F1152-Y1167 HydrophobicContact CD2-CE2 3.96Å; F1152-Y1167 HydrophobicContact CE2-CD2 4.09Å; Q1165-Y1167 HydrophobicContact CB-CD2 4.37Å; Q1165-Y1167 HydrophobicContact CB-CE2 3.51Å; Q1165-Y1167 PolarHBondContact OE1-OH 2.89Å; Y1167-L1191 HydrophobicContact CD1-CD1 4.49Å; Y1167-L1191 HydrophobicContact CG-CD1 4.19Å; Y1167-R1193 HydrophobicContact CD1-CG 3.69Å; Y1167-R1193 HydrophobicContact CE1-CG 3.65Å; Y1167-V1195 HydrophobicContact CD1-CG2 4.33Å; Y1167-V1195 HydrophobicContact CD2-CG2 4.16Å; Y1167-V1195 HydrophobicContact CE1-CB 4.47Å; Y1167-V1195 HydrophobicContact CE1-CG2 4.06Å; Y1167-V1195 HydrophobicContact CE2-CB 4.33Å; Y1167-V1195 HydrophobicContact CE2-CG1 3.99Å; Y1167-V1195 HydrophobicContact CE2-CG2 3.89Å; Y1167-V1195 HydrophobicContact CG-CG2 4.39Å; Y1167-V1195 WeakPolarHBondContact OH-CA 3.44Å; Y1167-N1196 PolarHBondContact OH-N 2.8Å |
| 1168 | A | 88.4 | Confident | 78.2 | Confident | 43 Ų | 43 | 61 Ų | 61 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 152.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | L1191 D1192 | A1168-L1191 CarbonylContact O-C 3.56Å; A1168-L1191 WeakPolarHBondContact O-CA 3.31Å; A1168-D1192 HydrophobicContact CB-CB 4.28Å; A1168-D1192 PolarHBondContact N-OD1 3.31Å; A1168-D1192 PolarHBondContact O-N 2.8Å |
| 1169 | V | 85.9 | Confident | 77 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 132.5 | 175.1 | -179 | 0 | 0 | 0 | 0 | 109.5 | P1145 V1148 V1150 H1171 I1172 L1189 K1190 L1191 | P1145-V1169 HydrophobicContact CB-CB 4.45Å; P1145-V1169 HydrophobicContact CB-CG1 4.25Å; P1145-V1169 VanDerWaalsContact CB-O 3.24Å; P1145-V1169 WeakPolarHBondContact CB-O 3.21Å; V1148-V1169 HydrophobicContact CB-CB 4.24Å; V1148-V1169 HydrophobicContact CB-CG2 3.97Å; V1148-V1169 HydrophobicContact CG1-CB 4.43Å; V1148-V1169 HydrophobicContact CG1-CG2 3.66Å; V1150-V1169 HydrophobicContact CG2-CG2 3.6Å; V1169-H1171 VanDerWaalsContact CG1-O 3.28Å; V1169-H1171 WeakPolarHBondContact CG1-O 3.16Å; V1169-I1172 HydrophobicContact CG1-CG1 3.74Å; V1169-L1189 HydrophobicContact CG1-CB 4.15Å; V1169-L1189 HydrophobicContact CG1-CD2 4.29Å; V1169-L1189 HydrophobicContact CG2-CB 4.31Å; V1169-L1189 HydrophobicContact CG2-CD1 4.27Å; V1169-K1190 CarbonylContact C-O 3.49Å; V1169-K1190 WeakPolarHBondContact CA-O 3.15Å; V1169-L1191 HydrophobicContact CG2-CD2 4.42Å |
| 1170 | T | 78.4 | Confident | 75.8 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -33.8 | 174.6 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | K1190 D1192 | T1170-K1190 PolarHBondContact N-O 2.99Å; T1170-K1190 WeakPolarHBondContact OG1-CG 3.39Å; T1170-K1190 PolarHBondContact OG1-O 3.14Å; T1170-K1190 VanDerWaalsContact OG1-O 3.14Å; T1170-D1192 HydrophobicContact CG2-CB 3.93Å |
| 1171 | H | 77.9 | Confident | 75.2 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 140.7 | -180 | -59.9 | 74.5 | 0 | 0 | 0 | 111 | V1169 L1189 K1190 I1337 H1340 | V1169-H1171 VanDerWaalsContact CG1-O 3.28Å; V1169-H1171 WeakPolarHBondContact CG1-O 3.16Å; H1171-L1189 WeakPolarHBondContact O-CA 3.29Å; H1171-K1190 HydrophobicContact CB-CB 3.87Å; H1171-K1190 PolarHBondContact O-N 2.75Å; H1171-I1337 HydrophobicContact CB-CG2 4.37Å; H1171-H1340 PolarHBondContact NE2-O 2.9Å |
| 1172 | I | 82.3 | Confident | 74.1 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 118.8 | 175.1 | -62.4 | 176.3 | 0 | 0 | 0 | 107.4 | I1108 L1142 A1143 P1145 V1148 V1169 L1189 | I1108-I1172 HydrophobicContact CB-CG2 4.06Å; I1108-I1172 HydrophobicContact CD1-CG2 3.13Å; I1108-I1172 HydrophobicContact CG1-CG2 4.12Å; I1108-I1172 HydrophobicContact CG2-CG2 4.24Å; L1142-I1172 HydrophobicContact CD1-CG2 4.31Å; A1143-I1172 VanDerWaalsContact O-CD1 3.26Å; A1143-I1172 WeakPolarHBondContact O-CD1 2.95Å; P1145-I1172 HydrophobicContact CB-CD1 4.42Å; P1145-I1172 HydrophobicContact CB-CG1 4.46Å; P1145-I1172 HydrophobicContact CG-CD1 4.22Å; P1145-I1172 HydrophobicContact CG-CG1 4.21Å; V1148-I1172 HydrophobicContact CG2-CD1 3.81Å; V1169-I1172 HydrophobicContact CG1-CG1 3.74Å; I1172-L1189 HydrophobicContact CB-CD2 4.31Å; I1172-L1189 HydrophobicContact CG1-CD2 3.86Å; I1172-L1189 HydrophobicContact CG2-CD2 4.08Å |
| 1173 | I | 81.3 | Confident | 73.6 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 100.3 | -177.8 | -62.8 | 154.7 | 0 | 0 | 0 | 109.7 | A1187 I1188 W1329 V1333 I1337 | I1173-A1187 CarbonylContact O-C 3.47Å; I1173-A1187 VanDerWaalsContact O-CA 3.32Å; I1173-A1187 WeakPolarHBondContact O-CA 3.4Å; I1173-I1188 HydrophobicContact CB-CB 4.42Å; I1173-I1188 PolarHBondContact N-O 3.37Å; I1173-I1188 PolarHBondContact O-N 2.87Å; I1173-W1329 HydrophobicContact CG2-CH2 4.45Å; I1173-W1329 HydrophobicContact CG2-CZ2 3.93Å; I1173-V1333 HydrophobicContact CD1-CG1 4.2Å; I1173-V1333 HydrophobicContact CG2-CG1 3.73Å; I1173-I1337 HydrophobicContact CD1-CB 4.36Å; I1173-I1337 HydrophobicContact CD1-CD1 3.14Å; I1173-I1337 HydrophobicContact CD1-CG1 3.25Å; I1173-I1337 HydrophobicContact CD1-CG2 4.24Å |
| 1174 | P | 77.4 | Confident | 73.2 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 24% | 0.24 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 153.5 | 176.7 | 36.6 | -38.9 | 0 | 0 | 0 | 110.7 | A1105 I1108 L1142 | A1105-P1174 HydrophobicContact CB-CB 4.44Å; I1108-P1174 HydrophobicContact CD1-CB 4.17Å; L1142-P1174 HydrophobicContact CD1-CB 4.46Å; L1142-P1174 HydrophobicContact CD1-CG 3.62Å; L1142-P1174 HydrophobicContact CD2-CB 4.32Å; L1142-P1174 HydrophobicContact CD2-CG 4.23Å; L1142-P1174 HydrophobicContact CG-CG 4.5Å |
| 1175 | G | 69.6 | Low | 73 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 8% | 0.082 | 23% | 0.234 | C | C | . | . | trans | -63.8 | 171.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1177 I1186 | G1175-F1177 PolarHBondContact O-N 2.83Å; G1175-I1186 PolarHBondContact N-O 2.76Å | ||
| 1176 | I | 65.7 | Low | 73.1 | Confident | 123 Ų | 123 | 44.5 Ų | 44.5 | 63% | 0.631 | 23% | 0.226 | S | C | * | . | trans | -73 | 76.1 | 174.8 | -54.1 | 174.9 | 0 | 0 | 0 | 108 | H1178 | I1176-H1178 PolarHBondContact O-N 2.91Š| ||
| 1177 | F | 56.1 | Low | 72.9 | Confident | 24 Ų | 24 | 40.1 Ų | 40.1 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | trans | -71.4 | 116.5 | -176.1 | 178.2 | -109.7 | 0 | 0 | 0 | 110.2 | A1105 H1106 I1109 V1140 G1175 E1179 K1182 D1185 | A1105-F1177 HydrophobicContact CB-CB 3.89Å; A1105-F1177 HydrophobicContact CB-CD2 4.08Å; A1105-F1177 HydrophobicContact CB-CG 4.02Å; H1106-F1177 HydrophobicContact CB-CZ 4.21Å; I1109-F1177 HydrophobicContact CD1-CD1 4.13Å; I1109-F1177 HydrophobicContact CD1-CE1 3.72Å; V1140-F1177 HydrophobicContact CG2-CD1 4.48Å; G1175-F1177 PolarHBondContact O-N 2.83Å; F1177-E1179 HydrophobicContact CE1-CB 3.81Å; F1177-E1179 HydrophobicContact CE1-CG 4.07Å; F1177-E1179 HydrophobicContact CZ-CB 4.3Å; F1177-E1179 HydrophobicContact CZ-CG 4.32Å; F1177-K1182 HydrophobicContact CE2-CD 3.83Å; F1177-K1182 HydrophobicContact CZ-CD 3.67Å; F1177-D1185 HydrophobicContact CD2-CB 3.95Å; F1177-D1185 HydrophobicContact CE2-CB 3.85Å | ||
| 1178 | H | 55.3 | Low | 72.9 | Confident | 77 Ų | 77 | 39.9 Ų | 39.9 | 36% | 0.356 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -103.1 | 110.7 | 169.5 | -76.5 | -80.4 | 0 | 0 | 0 | 108.9 | I1176 F1180 D1181 K1182 K1183 | I1176-H1178 PolarHBondContact O-N 2.91Å; H1178-F1180 VanDerWaalsContact C-N 3.32Å; H1178-F1180 PolarHBondContact O-N 3.12Å; H1178-D1181 PolarHBondContact O-N 3.06Å; H1178-K1182 WeakPolarHBondContact O-CA 3.37Å; H1178-K1182 PolarHBondContact O-N 3.26Å; H1178-K1183 PolarHBondContact N-O 2.83Å; H1178-K1183 PolarHBondContact O-N 2.81Å |
| 1179 | E | 50.6 | Low | 73 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.051 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -37.1 | -171.2 | -171 | 168.4 | -168.7 | 0 | 0 | 113.6 | V1128 F1177 D1181 K1182 | V1128-E1179 VanDerWaalsContact CG1-OE2 3.24Å; V1128-E1179 WeakPolarHBondContact CG1-OE2 3.37Å; F1177-E1179 HydrophobicContact CE1-CB 3.81Å; F1177-E1179 HydrophobicContact CE1-CG 4.07Å; F1177-E1179 HydrophobicContact CZ-CB 4.3Å; F1177-E1179 HydrophobicContact CZ-CG 4.32Å; E1179-D1181 PolarHBondContact O-N 2.71Å; E1179-K1182 WeakPolarHBondContact O-CD 3.26Å; E1179-K1182 PolarHBondContact O-N 2.93Å |
| 1180 | F | 50 | Low | 73.2 | Confident | 121 Ų | 121 | 38.5 Ų | 38.5 | 53% | 0.531 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -42.6 | -179.9 | -114.9 | -69 | 0 | 0 | 0 | 113.2 | N1129 H1178 | N1129-F1180 HydrophobicContact CB-CE2 3.74Å; N1129-F1180 HydrophobicContact CB-CZ 4.05Å; N1129-F1180 VanDerWaalsContact ND2-CZ 3.32Å; N1129-F1180 WeakPolarHBondContact ND2-CZ 3.29Å; N1129-F1180 WeakPolarHBondContact OD1-CD2 3.36Å; N1129-F1180 WeakPolarHBondContact OD1-CE2 3.47Å; N1129-F1180 VanDerWaalsContact OD1-CZ 3.23Å; N1129-F1180 WeakPolarHBondContact OD1-CZ 3.24Å; H1178-F1180 VanDerWaalsContact C-N 3.32Å; H1178-F1180 PolarHBondContact O-N 3.12Å |
| 1181 | D | 55 | Low | 73.7 | Confident | 84 Ų | 84 | 37 Ų | 37 | 45% | 0.449 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -8 | -174.6 | -56.2 | 7.3 | 0 | 0 | 0 | 111.2 | H1178 E1179 K1183 M1269 | H1178-D1181 PolarHBondContact O-N 3.06Å; E1179-D1181 PolarHBondContact O-N 2.71Å; D1181-K1183 HydrophobicContact CB-CB 3.72Å; D1181-K1183 PolarHBondContact O-N 3.15Å; D1181-M1269 VanDerWaalsContact O-CE 3.27Å; D1181-M1269 WeakPolarHBondContact O-CE 3.48Å |
| 1182 | K | 58.7 | Low | 73.8 | Confident | 53 Ų | 53 | 37.6 Ų | 37.6 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.8 | 31.8 | -161.7 | -62.1 | -67.2 | -177 | -176.6 | 0 | 112 | F1177 H1178 E1179 M1269 F1304 | F1177-K1182 HydrophobicContact CE2-CD 3.83Å; F1177-K1182 HydrophobicContact CZ-CD 3.67Å; H1178-K1182 WeakPolarHBondContact O-CA 3.37Å; H1178-K1182 PolarHBondContact O-N 3.26Å; E1179-K1182 WeakPolarHBondContact O-CD 3.26Å; E1179-K1182 PolarHBondContact O-N 2.93Å; K1182-M1269 WeakPolarHBondContact O-CE 3.31Å; K1182-F1304 HydrophobicContact CB-CD1 3.79Å; K1182-F1304 HydrophobicContact CB-CE1 3.45Å; K1182-F1304 VanDerWaalsContact CB-CE1 3.45Å; K1182-F1304 HydrophobicContact CB-CZ 4.32Å; K1182-F1304 HydrophobicContact CG-CD1 3.94Å; K1182-F1304 HydrophobicContact CG-CE1 3.98Å |
| 1183 | K | 67.3 | Low | 73.9 | Confident | 70 Ų | 70 | 42.8 Ų | 42.8 | 30% | 0.304 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -78.3 | 137.3 | -177.9 | -167.3 | 177.8 | 175.3 | -169.8 | 0 | 107.8 | H1178 D1181 D1185 | H1178-K1183 PolarHBondContact N-O 2.83Å; H1178-K1183 PolarHBondContact O-N 2.81Å; D1181-K1183 HydrophobicContact CB-CB 3.72Å; D1181-K1183 PolarHBondContact O-N 3.15Å; K1183-D1185 VanDerWaalsContact C-N 3.33Å; K1183-D1185 PolarHBondContact O-N 3.13Å |
| 1184 | D | 76.3 | Confident | 74 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 37.3 | 179.3 | -45.1 | -22.7 | 0 | 0 | 0 | 113.9 | I1186 N1268 Y1326 | D1184-I1186 VanDerWaalsContact C-N 3.26Å; D1184-I1186 PolarHBondContact O-N 3.17Å; D1184-N1268 PolarHBondContact OD1-ND2 2.77Å; D1184-Y1326 VanDerWaalsContact CA-OH 3.23Å; D1184-Y1326 WeakPolarHBondContact CA-OH 3.36Å; D1184-Y1326 HydrophobicContact CB-CE1 3.82Å; D1184-Y1326 PolarHBondContact OD1-OH 2.75Å |
| 1185 | D | 84.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -71.4 | 73.3 | 173.3 | -170.3 | 21.2 | 0 | 0 | 0 | 112.3 | A1105 H1106 F1177 K1183 S1303 T1321 | A1105-D1185 WeakPolarHBondContact CA-OD1 3.26Å; A1105-D1185 PolarHBondContact N-OD1 3.36Å; H1106-D1185 IonicContact CE1-OD2 2.8Å; H1106-D1185 PolarHBondContact N-OD1 3.02Å; H1106-D1185 IonicContact ND1-OD1 3.43Å; H1106-D1185 PolarHBondContact ND1-OD1 3.14Å; H1106-D1185 IonicContact ND1-OD2 3.15Å; H1106-D1185 PolarHBondContact ND1-OD2 3.15Å; F1177-D1185 HydrophobicContact CD2-CB 3.95Å; F1177-D1185 HydrophobicContact CE2-CB 3.85Å; K1183-D1185 VanDerWaalsContact C-N 3.33Å; K1183-D1185 PolarHBondContact O-N 3.13Å; D1185-S1303 WeakPolarHBondContact CB-OG 3.33Å; D1185-S1303 WeakPolarHBondContact OD2-CB 3.4Å; D1185-S1303 PolarHBondContact OD2-OG 2.6Å; D1185-T1321 WeakPolarHBondContact O-CB 3.44Å; D1185-T1321 PolarHBondContact O-OG1 3.28Å | ||
| 1186 | I | 89.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -144.9 | 143 | 179.4 | -178.2 | 164.9 | 0 | 0 | 0 | 109.7 | L1102 T1103 G1175 D1184 I1301 T1321 Y1326 W1329 | L1102-I1186 HydrophobicContact CD2-CD1 4.12Å; L1102-I1186 HydrophobicContact CD2-CG1 4.21Å; T1103-I1186 CarbonylContact O-C 3.31Å; T1103-I1186 WeakPolarHBondContact O-CA 3.22Å; G1175-I1186 PolarHBondContact N-O 2.76Å; D1184-I1186 VanDerWaalsContact C-N 3.26Å; D1184-I1186 PolarHBondContact O-N 3.17Å; I1186-I1301 HydrophobicContact CB-CD1 4.25Å; I1186-I1301 HydrophobicContact CD1-CD1 3.56Å; I1186-I1301 HydrophobicContact CG1-CD1 3.54Å; I1186-T1321 HydrophobicContact CB-CG2 4.04Å; I1186-T1321 HydrophobicContact CG2-CG2 4.45Å; I1186-Y1326 HydrophobicContact CD1-CD2 4.05Å; I1186-Y1326 HydrophobicContact CD1-CG 4.01Å; I1186-Y1326 HydrophobicContact CG2-CD1 3.76Å; I1186-Y1326 HydrophobicContact CG2-CD2 4.34Å; I1186-Y1326 HydrophobicContact CG2-CE1 3.85Å; I1186-Y1326 HydrophobicContact CG2-CE2 4.44Å; I1186-Y1326 HydrophobicContact CG2-CG 4.03Å; I1186-W1329 HydrophobicContact CD1-CZ3 4.38Å; I1186-W1329 HydrophobicContact CG1-CZ3 4.4Å; I1186-W1329 HydrophobicContact CG2-CZ3 4.4Å | ||
| 1187 | A | 89 | Confident | 75.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1102 T1103 I1108 I1173 | L1102-A1187 WeakPolarHBondContact CA-O 3.32Å; T1103-A1187 HydrophobicContact CG2-CB 4.2Å; T1103-A1187 PolarHBondContact N-O 3.12Å; T1103-A1187 PolarHBondContact O-N 2.92Å; I1108-A1187 HydrophobicContact CD1-CB 3.4Å; I1108-A1187 VanDerWaalsContact CD1-CB 3.4Å; I1108-A1187 HydrophobicContact CG1-CB 4.22Å; I1173-A1187 CarbonylContact O-C 3.47Å; I1173-A1187 VanDerWaalsContact O-CA 3.32Å; I1173-A1187 WeakPolarHBondContact O-CA 3.4Å |
| 1188 | I | 90.8 | Very high | 76.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127.4 | 172.8 | -58.4 | 164.9 | 0 | 0 | 0 | 108.2 | L1100 V1101 L1102 I1173 W1329 M1330 I1334 I1337 | L1100-I1188 HydrophobicContact CD2-CG2 4.02Å; V1101-I1188 WeakPolarHBondContact O-CA 3.33Å; L1102-I1188 HydrophobicContact CD2-CG1 3.66Å; I1173-I1188 HydrophobicContact CB-CB 4.42Å; I1173-I1188 PolarHBondContact N-O 3.37Å; I1173-I1188 PolarHBondContact O-N 2.87Å; I1188-W1329 HydrophobicContact CD1-CE3 4.35Å; I1188-W1329 HydrophobicContact CD1-CH2 3.53Å; I1188-W1329 HydrophobicContact CD1-CZ2 4.35Å; I1188-W1329 HydrophobicContact CD1-CZ3 3.53Å; I1188-W1329 HydrophobicContact CG1-CH2 3.77Å; I1188-W1329 HydrophobicContact CG1-CZ3 3.85Å; I1188-M1330 HydrophobicContact CD1-CG 4.19Å; I1188-I1334 HydrophobicContact CD1-CD1 4.27Å; I1188-I1334 HydrophobicContact CD1-CG1 3.93Å; I1188-I1337 HydrophobicContact CG2-CD1 3.97Å |
| 1189 | L | 91.2 | Very high | 77.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129.2 | 167.4 | -48.6 | 178.4 | 0 | 0 | 0 | 109.3 | I1074 L1100 V1101 T1103 I1108 V1148 V1150 V1169 H1171 I1172 | I1074-L1189 HydrophobicContact CD1-CD1 3.69Å; I1074-L1189 HydrophobicContact CG1-CD1 4.45Å; I1074-L1189 HydrophobicContact CG2-CD1 4.47Å; L1100-L1189 WeakPolarHBondContact CA-O 3.44Å; V1101-L1189 HydrophobicContact CB-CB 4.18Å; V1101-L1189 PolarHBondContact N-O 2.89Å; V1101-L1189 PolarHBondContact O-N 3.34Å; T1103-L1189 HydrophobicContact CG2-CD1 4.12Å; T1103-L1189 HydrophobicContact CG2-CG 4.15Å; I1108-L1189 HydrophobicContact CG2-CD2 3.99Å; V1148-L1189 HydrophobicContact CG1-CD1 4.37Å; V1150-L1189 HydrophobicContact CG2-CD1 4.17Å; V1169-L1189 HydrophobicContact CG1-CB 4.15Å; V1169-L1189 HydrophobicContact CG1-CD2 4.29Å; V1169-L1189 HydrophobicContact CG2-CB 4.31Å; V1169-L1189 HydrophobicContact CG2-CD1 4.27Å; H1171-L1189 WeakPolarHBondContact O-CA 3.29Å; I1172-L1189 HydrophobicContact CB-CD2 4.31Å; I1172-L1189 HydrophobicContact CG1-CD2 3.86Å; I1172-L1189 HydrophobicContact CG2-CD2 4.08Å |
| 1190 | K | 89.3 | Confident | 79.4 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 10% | 0.096 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125 | 169.8 | -178.1 | 69.4 | -177.9 | -172 | 0 | 109 | D1099 L1100 V1169 T1170 H1171 I1337 | D1099-K1190 HydrophobicContact CB-CD 4.48Å; D1099-K1190 IonicContact OD1-NZ 3.77Å; D1099-K1190 PolarHBondContact OD1-NZ 3.06Å; D1099-K1190 WeakPolarHBondContact OD2-CE 3.36Å; D1099-K1190 IonicContact OD2-NZ 3.31Å; D1099-K1190 PolarHBondContact OD2-NZ 3.19Å; L1100-K1190 HydrophobicContact CD2-CD 3.66Å; V1169-K1190 CarbonylContact C-O 3.49Å; V1169-K1190 WeakPolarHBondContact CA-O 3.15Å; T1170-K1190 PolarHBondContact N-O 2.99Å; T1170-K1190 WeakPolarHBondContact OG1-CG 3.39Å; T1170-K1190 PolarHBondContact OG1-O 3.14Å; T1170-K1190 VanDerWaalsContact OG1-O 3.14Å; H1171-K1190 HydrophobicContact CB-CB 3.87Å; H1171-K1190 PolarHBondContact O-N 2.75Å; K1190-I1337 HydrophobicContact CB-CG2 3.88Å; K1190-I1337 HydrophobicContact CD-CG2 3.98Å; K1190-I1337 HydrophobicContact CG-CG2 3.84Å |
| 1191 | L | 89.6 | Confident | 81.3 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 158.1 | 177.4 | -55.1 | 177 | 0 | 0 | 0 | 111.1 | D1099 V1101 V1150 F1152 Y1167 A1168 V1169 R1193 V1195 | D1099-L1191 HydrophobicContact CB-CB 4.23Å; D1099-L1191 WeakPolarHBondContact O-CG 3.49Å; D1099-L1191 PolarHBondContact O-N 2.81Å; V1101-L1191 HydrophobicContact CG2-CD1 3.91Å; V1101-L1191 HydrophobicContact CG2-CD2 3.97Å; V1101-L1191 HydrophobicContact CG2-CG 4.03Å; V1150-L1191 HydrophobicContact CB-CD2 3.99Å; V1150-L1191 HydrophobicContact CG1-CD2 4.31Å; V1150-L1191 HydrophobicContact CG2-CD2 3.98Å; F1152-L1191 HydrophobicContact CE2-CD1 3.64Å; F1152-L1191 HydrophobicContact CZ-CD1 4.15Å; Y1167-L1191 HydrophobicContact CD1-CD1 4.49Å; Y1167-L1191 HydrophobicContact CG-CD1 4.19Å; A1168-L1191 CarbonylContact O-C 3.56Å; A1168-L1191 WeakPolarHBondContact O-CA 3.31Å; V1169-L1191 HydrophobicContact CG2-CD2 4.42Å; L1191-R1193 PolarHBondContact O-N 3.28Å; L1191-V1195 HydrophobicContact CD1-CG2 3.47Å; L1191-V1195 VanDerWaalsContact CD1-CG2 3.47Å |
| 1192 | D | 80.7 | Confident | 82.8 | Confident | 65 Ų | 65 | 41.2 Ų | 41.2 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -64.4 | -23.8 | 178.6 | 68.7 | -53.5 | 0 | 0 | 0 | 114.1 | A1168 T1170 | A1168-D1192 HydrophobicContact CB-CB 4.28Å; A1168-D1192 PolarHBondContact N-OD1 3.31Å; A1168-D1192 PolarHBondContact O-N 2.8Å; T1170-D1192 HydrophobicContact CG2-CB 3.93Å |
| 1193 | R | 85 | Confident | 84.4 | Confident | 133 Ų | 133 | 38.7 Ų | 38.7 | 50% | 0.502 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -155.9 | 159.5 | 177.9 | 59.7 | -175.5 | 179.6 | -99.8 | -0.6 | 110.3 | K1166 Y1167 L1191 | K1166-R1193 PolarHBondContact O-NH2 3.34Å; Y1167-R1193 HydrophobicContact CD1-CG 3.69Å; Y1167-R1193 HydrophobicContact CE1-CG 3.65Å; L1191-R1193 PolarHBondContact O-N 3.28Å |
| 1194 | K | 83.4 | Confident | 85.6 | Confident | 99 Ų | 99 | 35.3 Ų | 35.3 | 43% | 0.43 | 16% | 0.161 | S | C | . | . | trans | -61.7 | 138.8 | 175.1 | -68.5 | -170.3 | -177.9 | -178.6 | 0 | 111.4 | S1097 D1099 | S1097-K1194 WeakPolarHBondContact OG-CD 3.38Å; D1099-K1194 HydrophobicContact CB-CG 4.13Å | ||
| 1195 | V | 84.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -73.5 | 129 | 178.9 | -179.9 | 0 | 0 | 0 | 0 | 110 | L1089 S1097 S1098 F1152 Y1167 L1191 Y1197 I1201 | L1089-V1195 HydrophobicContact CD1-CB 4.37Å; L1089-V1195 HydrophobicContact CD1-CG2 3.92Å; L1089-V1195 HydrophobicContact CD2-CB 4.12Å; L1089-V1195 HydrophobicContact CD2-CG1 3.91Å; L1089-V1195 HydrophobicContact CD2-CG2 4.35Å; S1097-V1195 VanDerWaalsContact CB-O 3.3Å; S1097-V1195 WeakPolarHBondContact CB-O 3.47Å; S1098-V1195 WeakPolarHBondContact O-CB 3.32Å; S1098-V1195 WeakPolarHBondContact O-CG2 3.44Å; S1098-V1195 PolarHBondContact O-N 3.24Å; F1152-V1195 HydrophobicContact CD2-CG1 4.17Å; F1152-V1195 HydrophobicContact CD2-CG2 3.91Å; F1152-V1195 HydrophobicContact CE2-CG2 3.73Å; F1152-V1195 HydrophobicContact CG-CG1 4.48Å; F1152-V1195 HydrophobicContact CZ-CG2 4.5Å; Y1167-V1195 HydrophobicContact CD1-CG2 4.33Å; Y1167-V1195 HydrophobicContact CD2-CG2 4.16Å; Y1167-V1195 HydrophobicContact CE1-CB 4.47Å; Y1167-V1195 HydrophobicContact CE1-CG2 4.06Å; Y1167-V1195 HydrophobicContact CE2-CB 4.33Å; Y1167-V1195 HydrophobicContact CE2-CG1 3.99Å; Y1167-V1195 HydrophobicContact CE2-CG2 3.89Å; Y1167-V1195 HydrophobicContact CG-CG2 4.39Å; Y1167-V1195 WeakPolarHBondContact OH-CA 3.44Å; L1191-V1195 HydrophobicContact CD1-CG2 3.47Å; L1191-V1195 VanDerWaalsContact CD1-CG2 3.47Å; V1195-Y1197 HydrophobicContact CB-CE1 4.5Å; V1195-Y1197 HydrophobicContact CG1-CD1 4.47Å; V1195-Y1197 WeakPolarHBondContact O-CD1 3.34Å; V1195-Y1197 PolarHBondContact O-N 3.34Å; V1195-Y1197 VanDerWaalsContact O-N 3.12Å; V1195-I1201 HydrophobicContact CG1-CG2 3.48Å; V1195-I1201 VanDerWaalsContact CG1-CG2 3.48Å | ||
| 1196 | N | 80.1 | Confident | 86.5 | Confident | 111 Ų | 111 | 36 Ų | 36 | 59% | 0.594 | 17% | 0.165 | S | C | * | . | trans | -74.1 | 100.7 | 176.6 | -72.2 | -28.8 | 0 | 0 | 0 | 110.5 | Q1165 Y1167 | Q1165-N1196 PolarHBondContact NE2-O 2.85Å; Y1167-N1196 PolarHBondContact OH-N 2.8Å | ||
| 1197 | Y | 80.6 | Confident | 86.4 | Confident | 39 Ų | 39 | 36.4 Ų | 36.4 | 15% | 0.153 | 17% | 0.168 | C | C | . | . | trans | -64.9 | 140.3 | 176.6 | -72.4 | 9.3 | 0 | 0 | 0 | 111.1 | A1038 L1089 N1096 S1098 V1195 I1201 | A1038-Y1197 HydrophobicContact CB-CD2 4.22Å; L1089-Y1197 HydrophobicContact CD2-CD1 4.38Å; L1089-Y1197 HydrophobicContact CD2-CE1 3.68Å; L1089-Y1197 HydrophobicContact CG-CE1 4.35Å; N1096-Y1197 WeakPolarHBondContact O-CB 2.93Å; N1096-Y1197 WeakPolarHBondContact O-CD2 3.39Å; N1096-Y1197 VanDerWaalsContact O-CG 3.26Å; S1098-Y1197 WeakPolarHBondContact CB-OH 3.16Å; S1098-Y1197 PolarHBondContact N-OH 3.12Å; V1195-Y1197 HydrophobicContact CB-CE1 4.5Å; V1195-Y1197 HydrophobicContact CG1-CD1 4.47Å; V1195-Y1197 WeakPolarHBondContact O-CD1 3.34Å; V1195-Y1197 PolarHBondContact O-N 3.34Å; V1195-Y1197 VanDerWaalsContact O-N 3.12Å; Y1197-I1201 CarbonylContact C-O 3.51Å; Y1197-I1201 WeakPolarHBondContact CA-O 3.19Å | ||
| 1198 | N | 80.2 | Confident | 86.1 | Confident | 55 Ų | 55 | 38.7 Ų | 38.7 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | B | Isolated β-bridge | trans | -155.2 | -171.2 | 175.7 | 61.1 | 46.1 | 0 | 0 | 0 | 109.3 | Q1165 Y1200 I1201 Q1202 | Q1165-N1198 PolarHBondContact NE2-ND2 3.34Å; Q1165-N1198 VanDerWaalsContact NE2-ND2 3.15Å; N1198-Y1200 PolarHBondContact O-N 3.23Å; N1198-Y1200 WeakPolarHBondContact OD1-CA 3.27Å; N1198-Y1200 WeakPolarHBondContact OD1-CB 3.04Å; N1198-Y1200 PolarHBondContact OD1-N 2.7Å; N1198-I1201 PolarHBondContact N-O 3.48Å; N1198-I1201 PolarHBondContact O-N 3.09Å; N1198-I1201 PolarHBondContact OD1-N 3.45Å; N1198-I1201 VanDerWaalsContact OD1-N 3.09Å; N1198-Q1202 WeakPolarHBondContact O-CG 3.37Å |
| 1199 | K | 76.9 | Confident | 85.4 | Confident | 102 Ų | 102 | 41.1 Ų | 41.1 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.9 | 179 | 56.4 | 168.8 | 157.8 | 164.3 | 0 | 115.1 | Y1044 | Y1044-K1199 HydrophobicContact CD2-CB 4.47Å; Y1044-K1199 HydrophobicContact CG-CB 4.21Å |
| 1200 | Y | 84.4 | Confident | 84.7 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -16.3 | -176.8 | -47.7 | -65.5 | 0 | 0 | 0 | 113.8 | F1045 H1066 P1069 T1163 N1198 | F1045-Y1200 AromaticContact CE2-CD1 3.93Å; F1045-Y1200 HydrophobicContact CE2-CD1 3.93Å; F1045-Y1200 AromaticContact CE2-CE1 3.97Å; F1045-Y1200 HydrophobicContact CE2-CE1 3.97Å; F1045-Y1200 HydrophobicContact CZ-CE1 4.23Å; H1066-Y1200 HydrophobicContact CB-CD1 3.71Å; H1066-Y1200 HydrophobicContact CB-CG 4.45Å; H1066-Y1200 AromaticContact CD2-CD1 3.42Å; H1066-Y1200 VanDerWaalsContact CD2-CD1 3.42Å; H1066-Y1200 WeakPolarHBondContact CD2-CD1 3.44Å; H1066-Y1200 AromaticContact CD2-CE1 3.68Å; H1066-Y1200 AromaticContact CG-CD1 3.38Å; H1066-Y1200 AromaticContact ND1-CD1 3.89Å; H1066-Y1200 AromaticContact NE2-CD1 3.96Å; P1069-Y1200 WeakPolarHBondContact CA-O 3.41Å; P1069-Y1200 WeakPolarHBondContact CB-O 3.45Å; T1163-Y1200 HydrophobicContact CG2-CD1 4.04Å; T1163-Y1200 HydrophobicContact CG2-CD2 3.42Å; T1163-Y1200 VanDerWaalsContact CG2-CD2 3.42Å; T1163-Y1200 HydrophobicContact CG2-CE1 4.03Å; T1163-Y1200 HydrophobicContact CG2-CE2 3.43Å; T1163-Y1200 VanDerWaalsContact CG2-CE2 3.43Å; T1163-Y1200 HydrophobicContact CG2-CG 3.71Å; N1198-Y1200 PolarHBondContact O-N 3.23Å; N1198-Y1200 WeakPolarHBondContact OD1-CA 3.27Å; N1198-Y1200 WeakPolarHBondContact OD1-CB 3.04Å; N1198-Y1200 PolarHBondContact OD1-N 2.7Å |
| 1201 | I | 89.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -136.4 | 119.1 | -174.9 | -57.9 | 168.9 | 0 | 0 | 0 | 109.4 | P1069 L1089 F1152 Q1165 V1195 Y1197 N1198 | P1069-I1201 WeakPolarHBondContact O-CA 3.1Å; L1089-I1201 HydrophobicContact CD2-CG2 3.89Å; F1152-I1201 HydrophobicContact CB-CD1 3.78Å; F1152-I1201 HydrophobicContact CB-CG1 4.01Å; F1152-I1201 HydrophobicContact CB-CG2 3.92Å; F1152-I1201 HydrophobicContact CG-CG2 4.37Å; Q1165-I1201 HydrophobicContact CB-CD1 4.07Å; Q1165-I1201 VanDerWaalsContact CD-CD1 3.47Å; Q1165-I1201 HydrophobicContact CG-CD1 3.7Å; V1195-I1201 HydrophobicContact CG1-CG2 3.48Å; V1195-I1201 VanDerWaalsContact CG1-CG2 3.48Å; Y1197-I1201 CarbonylContact C-O 3.51Å; Y1197-I1201 WeakPolarHBondContact CA-O 3.19Å; N1198-I1201 PolarHBondContact N-O 3.48Å; N1198-I1201 PolarHBondContact O-N 3.09Å; N1198-I1201 PolarHBondContact OD1-N 3.45Å; N1198-I1201 VanDerWaalsContact OD1-N 3.09Å |
| 1202 | Q | 87.9 | Confident | 82.5 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | trans | -154.3 | 150.5 | -177.7 | -63.2 | 178.3 | -21.4 | 0 | 0 | 109.2 | K1042 P1069 W1070 N1198 | K1042-Q1202 PolarHBondContact O-OE1 3.35Å; P1069-Q1202 CarbonylContact C-O 3.43Å; P1069-Q1202 VanDerWaalsContact C-O 3.31Å; P1069-Q1202 HydrophobicContact CB-CB 4.02Å; P1069-Q1202 HydrophobicContact CB-CG 4.32Å; P1069-Q1202 HydrophobicContact CG-CB 3.9Å; P1069-Q1202 HydrophobicContact CG-CG 4.37Å; P1069-Q1202 PolarHBondContact O-N 3.45Å; P1069-Q1202 VanDerWaalsContact O-N 3.15Å; W1070-Q1202 WeakPolarHBondContact CA-O 3.37Å; W1070-Q1202 VanDerWaalsContact CB-O 3.29Å; W1070-Q1202 WeakPolarHBondContact CB-O 3.34Å; W1070-Q1202 PolarHBondContact N-O 2.77Å; N1198-Q1202 WeakPolarHBondContact O-CG 3.37Å | ||
| 1203 | G | 90.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 147.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1040 G1041 L1089 | C1040-G1203 WeakPolarHBondContact CA-O 3.38Å; G1041-G1203 PolarHBondContact N-O 3.49Å; L1089-G1203 WeakPolarHBondContact O-CA 3.49Å |
| 1204 | I | 92.7 | Very high | 81 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 151.1 | 170.9 | -163.4 | 167.6 | 0 | 0 | 0 | 111 | W1070 L1089 I1090 D1091 A1289 Y1296 L1298 | W1070-I1204 HydrophobicContact CB-CB 3.86Å; W1070-I1204 HydrophobicContact CB-CG2 4.31Å; W1070-I1204 HydrophobicContact CD2-CB 3.75Å; W1070-I1204 HydrophobicContact CD2-CD1 4.07Å; W1070-I1204 HydrophobicContact CD2-CG1 4.05Å; W1070-I1204 HydrophobicContact CE3-CB 4.01Å; W1070-I1204 HydrophobicContact CE3-CG1 4.3Å; W1070-I1204 HydrophobicContact CG-CB 3.67Å; W1070-I1204 HydrophobicContact CG-CD1 4.25Å; W1070-I1204 HydrophobicContact CG-CG1 4.34Å; W1070-I1204 HydrophobicContact CG-CG2 4.38Å; W1070-I1204 HydrophobicContact CZ2-CD1 4.34Å; L1089-I1204 PolarHBondContact O-N 3.12Å; I1090-I1204 HydrophobicContact CG2-CG2 4.4Å; D1091-I1204 PolarHBondContact N-O 3.04Å; D1091-I1204 VanDerWaalsContact N-O 3.1Å; I1204-A1289 HydrophobicContact CD1-CB 3.49Å; I1204-A1289 VanDerWaalsContact CD1-CB 3.49Å; I1204-Y1296 VanDerWaalsContact CG1-O 3.26Å; I1204-Y1296 WeakPolarHBondContact CG1-O 3.42Å; I1204-L1298 HydrophobicContact CD1-CB 4.04Å; I1204-L1298 HydrophobicContact CD1-CD1 4.46Å; I1204-L1298 HydrophobicContact CG1-CB 4.33Å; I1204-L1298 HydrophobicContact CG2-CB 3.8Å; I1204-L1298 HydrophobicContact CG2-CD2 4.23Å; I1204-L1298 HydrophobicContact CG2-CG 4.43Å |
| 1205 | C | 90.1 | Very high | 80.2 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -74.6 | 152 | 175 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | C1040 Y1296 V1297 L1298 | C1040-C1205 HydrophobicContact CB-CB 4.09Å; C1040-C1205 WeakPolarHBondContact CB-SG 3.49Å; C1040-C1205 PolarHBondContact O-SG 3.39Å; C1040-C1205 VanDerWaalsContact SG-CA 3.53Å; C1040-C1205 WeakPolarHBondContact SG-CB 3.4Å; C1040-C1205 CovalentContact SG-SG 2.05Å; C1040-C1205 PolarHBondContact SG-SG 3.03Å; C1205-Y1296 WeakPolarHBondContact CB-O 3.38Å; C1205-Y1296 PolarHBondContact N-O 2.73Å; C1205-V1297 HydrophobicContact CB-CG2 4.11Å; C1205-V1297 CarbonylContact O-C 3.6Å; C1205-V1297 WeakPolarHBondContact O-CA 3.3Å; C1205-L1298 PolarHBondContact O-N 3.19Å |
| 1206 | L | 90.1 | Very high | 79.1 | Confident | 36 Ų | 36 | 54.9 Ų | 54.9 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 149.2 | 170.7 | -66.8 | 172.9 | 0 | 0 | 0 | 111.3 | I1090 W1092 L1102 L1298 V1323 L1327 M1330 | I1090-L1206 HydrophobicContact CB-CD2 4.33Å; I1090-L1206 HydrophobicContact CD1-CD1 4.44Å; I1090-L1206 HydrophobicContact CG2-CD2 3.9Å; W1092-L1206 HydrophobicContact CE3-CD1 3.42Å; W1092-L1206 VanDerWaalsContact CE3-CD1 3.42Å; W1092-L1206 HydrophobicContact CZ3-CD1 3.79Å; L1102-L1206 HydrophobicContact CD1-CD2 4.33Å; L1206-L1298 HydrophobicContact CD2-CD2 4.37Å; L1206-V1323 HydrophobicContact CD2-CG1 4.01Å; L1206-L1327 HydrophobicContact CB-CD2 4.26Å; L1206-L1327 HydrophobicContact CD1-CD2 4.27Å; L1206-M1330 HydrophobicContact CD1-CE 4.21Å |
| 1207 | P | 87.9 | Confident | 78.2 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 167.6 | 175.8 | 28.3 | -33 | 0 | 0 | 0 | 111.1 | E1211 V1297 L1298 Y1299 V1323 L1327 | P1207-E1211 HydrophobicContact CB-CB 4.37Å; P1207-V1297 HydrophobicContact CB-CG1 3.89Å; P1207-V1297 HydrophobicContact CG-CG1 4.45Å; P1207-L1298 WeakPolarHBondContact CD-O 3.33Å; P1207-Y1299 HydrophobicContact CB-CE1 4.32Å; P1207-V1323 HydrophobicContact CG-CB 4.33Å; P1207-V1323 HydrophobicContact CG-CG1 4.16Å; P1207-L1327 HydrophobicContact CG-CD1 4.4Å; P1207-L1327 WeakPolarHBondContact O-CD1 3.43Å |
| 1208 | S | 82.5 | Confident | 77.4 | Confident | 48 Ų | 48 | 53 Ų | 53 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 162.1 | 168.2 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | D1210 E1211 | S1208-D1210 PolarHBondContact O-N 3.2Å; S1208-E1211 WeakPolarHBondContact CB-OE1 3.48Å; S1208-E1211 PolarHBondContact O-N 3.21Å; S1208-E1211 WeakPolarHBondContact OG-CG 3.39Å; S1208-E1211 PolarHBondContact OG-OE1 3.38Å |
| 1209 | V | 76.2 | Confident | 77.5 | Confident | 51 Ų | 51 | 54 Ų | 54 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -30.4 | -179.6 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | E1211 L1327 | V1209-E1211 VanDerWaalsContact C-N 3.33Å; V1209-L1327 HydrophobicContact CG2-CB 4.06Å; V1209-L1327 HydrophobicContact CG2-CD1 4.06Å |
| 1210 | D | 75.9 | Confident | 77.8 | Confident | 146 Ų | 146 | 49.2 Ų | 49.2 | 78% | 0.781 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.6 | -178.4 | -52 | -42 | 0 | 0 | 0 | 112.7 | S1208 E1212 | S1208-D1210 PolarHBondContact O-N 3.2Å; D1210-E1212 PolarHBondContact O-N 2.91Å; D1210-E1212 VanDerWaalsContact O-N 3.14Å |
| 1211 | E | 71.8 | Confident | 78 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | trans | -81.4 | 91.3 | 176.5 | -83.3 | 161.1 | -138.4 | 0 | 0 | 111.2 | P1207 S1208 V1209 K1292 Y1299 S1324 | P1207-E1211 HydrophobicContact CB-CB 4.37Å; S1208-E1211 WeakPolarHBondContact CB-OE1 3.48Å; S1208-E1211 PolarHBondContact O-N 3.21Å; S1208-E1211 WeakPolarHBondContact OG-CG 3.39Å; S1208-E1211 PolarHBondContact OG-OE1 3.38Å; V1209-E1211 VanDerWaalsContact C-N 3.33Å; E1211-K1292 IonicContact OE1-NZ 2.93Å; E1211-K1292 PolarHBondContact OE1-NZ 3.12Å; E1211-K1292 IonicContact OE2-NZ 2.66Å; E1211-K1292 PolarHBondContact OE2-NZ 2.71Å; E1211-Y1299 HydrophobicContact CB-CE1 4.46Å; E1211-Y1299 PolarHBondContact OE2-OH 3.22Å; E1211-Y1299 VanDerWaalsContact OE2-OH 3.06Å; E1211-S1324 VanDerWaalsContact O-CB 3.3Å; E1211-S1324 WeakPolarHBondContact O-CB 3.35Å; E1211-S1324 PolarHBondContact O-OG 3.05Å | ||
| 1212 | E | 62.2 | Low | 77.8 | Confident | 140 Ų | 140 | 47.4 Ų | 47.4 | 65% | 0.654 | 27% | 0.272 | S | S | * | . | trans | -77.5 | -22.5 | -179.4 | -69.1 | -159.9 | 155.8 | 0 | 0 | 114.4 | D1210 K1322 | D1210-E1212 PolarHBondContact O-N 2.91Å; D1210-E1212 VanDerWaalsContact O-N 3.14Å; E1212-K1322 WeakPolarHBondContact O-CE 3.48Å; E1212-K1322 PolarHBondContact O-NZ 3.2Å | ||
| 1213 | L | 67.4 | Low | 77.8 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -137.7 | 147.9 | -175.6 | -67.5 | 168.9 | 0 | 0 | 0 | 110.3 | Y1299 | L1213-Y1299 WeakPolarHBondContact O-CE1 3.27Š|
| 1214 | A | 65.2 | Low | 77.6 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 152.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110 | Q1216 M1254 Y1299 | A1214-Q1216 PolarHBondContact O-N 3.33Å; A1214-Q1216 VanDerWaalsContact O-N 3.16Å; A1214-M1254 HydrophobicContact CB-CG 3.96Å; A1214-Y1299 VanDerWaalsContact CA-CE1 3.49Å; A1214-Y1299 HydrophobicContact CB-CD1 3.91Å; A1214-Y1299 HydrophobicContact CB-CD2 4.36Å; A1214-Y1299 HydrophobicContact CB-CE1 4.27Å; A1214-Y1299 HydrophobicContact CB-CG 3.94Å |
| 1215 | P | 67.7 | Low | 77.1 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 25% | 0.253 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 123.6 | -178.1 | -15.6 | 27.3 | 0 | 0 | 0 | 109.9 | G1217 G1218 K1292 | P1215-G1217 PolarHBondContact O-N 3.29Å; P1215-G1218 PolarHBondContact O-N 3.34Å; P1215-K1292 HydrophobicContact CG-CB 4.11Å; P1215-K1292 HydrophobicContact CG-CG 4.46Å |
| 1216 | Q | 61.2 | Low | 76.2 | Confident | 146 Ų | 146 | 46.4 Ų | 46.4 | 68% | 0.682 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 124.3 | 174.4 | -71.7 | -148.4 | -2.5 | 0 | 0 | 109.7 | A1214 G1218 D1256 | A1214-Q1216 PolarHBondContact O-N 3.33Å; A1214-Q1216 VanDerWaalsContact O-N 3.16Å; Q1216-G1218 VanDerWaalsContact C-N 3.26Å; Q1216-G1218 PolarHBondContact O-N 3.21Å; Q1216-D1256 PolarHBondContact NE2-OD1 3.05Å; Q1216-D1256 PolarHBondContact NE2-OD2 2.84Å |
| 1217 | G | 60.7 | Low | 75 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 90% | 0.897 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -1.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P1215 | P1215-G1217 PolarHBondContact O-N 3.29Š|
| 1218 | G | 65.1 | Low | 73.7 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | trans | -69.7 | 146.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1215 Q1216 C1220 | P1215-G1218 PolarHBondContact O-N 3.34Å; Q1216-G1218 VanDerWaalsContact C-N 3.26Å; Q1216-G1218 PolarHBondContact O-N 3.21Å; G1218-C1220 PolarHBondContact O-N 3.42Å | ||
| 1219 | R | 81.7 | Confident | 72.2 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | trans | -78.8 | 113.4 | 179.4 | -59.7 | -177 | 65.8 | -158 | 4 | 109.7 | F1221 E1251 C1290 L1291 | R1219-F1221 HydrophobicContact CB-CE2 4.1Å; R1219-E1251 WeakPolarHBondContact CB-OE1 3.45Å; R1219-E1251 VanDerWaalsContact CG-OE1 3.27Å; R1219-E1251 WeakPolarHBondContact CG-OE1 3.35Å; R1219-E1251 IonicContact NE-OE1 3.67Å; R1219-E1251 PolarHBondContact NE-OE1 3.35Å; R1219-E1251 VanDerWaalsContact NE-OE1 3.15Å; R1219-E1251 IonicContact NE-OE2 2.73Å; R1219-E1251 IonicContact NH2-OE2 2.85Å; R1219-E1251 PolarHBondContact NH2-OE2 3.36Å; R1219-C1290 WeakPolarHBondContact O-CA 3.07Å; R1219-L1291 HydrophobicContact CB-CB 4.47Å; R1219-L1291 PolarHBondContact O-N 3.41Å | ||
| 1220 | C | 84.2 | Confident | 70.6 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.3 | -178.9 | -66.2 | 0 | 0 | 0 | 0 | 110.2 | G1218 E1251 V1252 L1288 A1289 C1290 | G1218-C1220 PolarHBondContact O-N 3.42Å; C1220-E1251 CarbonylContact O-C 3.6Å; C1220-E1251 VanDerWaalsContact O-CA 3.28Å; C1220-E1251 WeakPolarHBondContact O-CA 3.14Å; C1220-V1252 HydrophobicContact CB-CG2 3.86Å; C1220-V1252 PolarHBondContact O-N 3.29Å; C1220-L1288 HydrophobicContact CB-CD1 4.08Å; C1220-A1289 CarbonylContact C-O 3.56Å; C1220-A1289 WeakPolarHBondContact CA-O 3.03Å; C1220-C1290 HydrophobicContact CB-CB 4.09Å; C1220-C1290 WeakPolarHBondContact CB-SG 3.41Å; C1220-C1290 WeakPolarHBondContact SG-CB 3.1Å; C1220-C1290 CovalentContact SG-SG 2.04Å; C1220-C1290 PolarHBondContact SG-SG 3.41Å |
| 1221 | F | 87 | Confident | 68.9 | Low | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.7 | 179.1 | -63.4 | -87 | 0 | 0 | 0 | 111.3 | P1047 F1061 R1219 F1250 E1251 L1288 A1289 Y1296 | P1047-F1221 HydrophobicContact CG-CE2 4.43Å; F1061-F1221 HydrophobicContact CZ-CE1 4.45Å; R1219-F1221 HydrophobicContact CB-CE2 4.1Å; F1221-F1250 CarbonylContact C-O 3.49Å; F1221-F1250 VanDerWaalsContact CA-O 3.31Å; F1221-F1250 WeakPolarHBondContact CA-O 3.1Å; F1221-E1251 HydrophobicContact CD1-CB 4.01Å; F1221-E1251 HydrophobicContact CD1-CG 4.44Å; F1221-E1251 HydrophobicContact CE1-CB 3.73Å; F1221-E1251 HydrophobicContact CE1-CG 4.03Å; F1221-E1251 HydrophobicContact CZ-CB 4.42Å; F1221-E1251 HydrophobicContact CZ-CG 4.23Å; F1221-L1288 WeakPolarHBondContact O-CA 2.88Å; F1221-A1289 PolarHBondContact N-O 3.41Å; F1221-A1289 PolarHBondContact O-N 3.01Å; F1221-Y1296 AromaticContact CD2-CE1 3.94Å; F1221-Y1296 HydrophobicContact CD2-CE1 3.94Å; F1221-Y1296 HydrophobicContact CE2-CE1 4.09Å |
| 1222 | V | 85.4 | Confident | 67.2 | Low | 14 Ų | 14 | 58.9 Ų | 58.9 | 9% | 0.085 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 141.3 | 163.1 | -62.8 | 0 | 0 | 0 | 0 | 108.7 | Q1249 F1250 V1252 L1288 I1302 F1320 | V1222-Q1249 CarbonylContact O-C 3.41Å; V1222-Q1249 WeakPolarHBondContact O-CA 3.47Å; V1222-F1250 HydrophobicContact CG2-CB 3.82Å; V1222-F1250 HydrophobicContact CG2-CD1 4.26Å; V1222-F1250 PolarHBondContact N-O 3.46Å; V1222-F1250 PolarHBondContact O-N 3.05Å; V1222-V1252 HydrophobicContact CG1-CG1 4.08Å; V1222-V1252 HydrophobicContact CG1-CG2 4.16Å; V1222-V1252 HydrophobicContact CG2-CG1 3.93Å; V1222-L1288 HydrophobicContact CG1-CD1 3.78Å; V1222-I1302 HydrophobicContact CB-CD1 4.14Å; V1222-I1302 HydrophobicContact CG1-CD1 4.44Å; V1222-F1320 HydrophobicContact CG1-CE1 3.56Å; V1222-F1320 HydrophobicContact CG1-CZ 3.8Å |
| 1223 | T | 88.1 | Confident | 65.9 | Low | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 146.2 | -175.4 | 44.2 | 0 | 0 | 0 | 0 | 112.1 | H1068 Q1071 Q1248 Q1249 P1287 | H1068-T1223 HydrophobicContact CB-CG2 4.46Å; Q1071-T1223 VanDerWaalsContact OE1-CB 3.29Å; Q1071-T1223 PolarHBondContact OE1-O 3.21Å; Q1071-T1223 PolarHBondContact OE1-OG1 3.47Å; T1223-Q1248 VanDerWaalsContact CA-O 3.28Å; T1223-Q1248 WeakPolarHBondContact CA-O 3.3Å; T1223-Q1249 HydrophobicContact CG2-CB 3.62Å; T1223-P1287 WeakPolarHBondContact OG1-CG 3.37Å |
| 1224 | G | 85.7 | Confident | 64.1 | Low | 2 Ų | 2 | 62.5 Ų | 62.5 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.4 | 179.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1248 D1283 | G1224-Q1248 PolarHBondContact N-O 3.06Å; G1224-Q1248 VanDerWaalsContact N-O 3.15Å; G1224-Q1248 PolarHBondContact O-N 3.04Å; G1224-D1283 VanDerWaalsContact CA-OD1 3.31Å; G1224-D1283 WeakPolarHBondContact CA-OD1 3.04Å |
| 1225 | W | 83.3 | Confident | 62.4 | Low | 7 Ų | 7 | 68.3 Ų | 68.3 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | trans | -112.2 | 25.2 | 174.2 | -66 | -92.1 | 0 | 0 | 0 | 111.3 | Q1071 L1073 A1154 H1155 I1157 P1244 L1247 | Q1071-W1225 HydrophobicContact CG-CH2 3.76Å; Q1071-W1225 HydrophobicContact CG-CZ3 3.71Å; L1073-W1225 HydrophobicContact CB-CE3 4.37Å; L1073-W1225 HydrophobicContact CB-CH2 4.05Å; L1073-W1225 HydrophobicContact CB-CZ3 3.74Å; L1073-W1225 HydrophobicContact CD1-CD2 4.48Å; L1073-W1225 HydrophobicContact CD1-CE3 3.89Å; L1073-W1225 HydrophobicContact CD1-CZ3 4.13Å; L1073-W1225 HydrophobicContact CG-CZ3 4.45Å; A1154-W1225 HydrophobicContact CB-CZ2 4.38Å; A1154-W1225 WeakPolarHBondContact O-CZ2 3.12Å; H1155-W1225 PolarHBondContact O-NE1 3.01Å; I1157-W1225 HydrophobicContact CD1-CB 4.47Å; I1157-W1225 HydrophobicContact CD1-CG 4.29Å; I1157-W1225 HydrophobicContact CG2-CD2 4.28Å; I1157-W1225 HydrophobicContact CG2-CG 4.43Å; I1157-W1225 HydrophobicContact CG2-CZ2 4.09Å; W1225-P1244 WeakPolarHBondContact O-CD 3.36Å; W1225-L1247 HydrophobicContact CD2-CD1 3.86Å; W1225-L1247 HydrophobicContact CE3-CD1 3.88Å; W1225-L1247 HydrophobicContact CH2-CD1 3.78Å; W1225-L1247 HydrophobicContact CZ2-CB 3.89Å; W1225-L1247 HydrophobicContact CZ2-CD1 3.75Å; W1225-L1247 HydrophobicContact CZ2-CG 4.3Å; W1225-L1247 HydrophobicContact CZ3-CD1 3.84Å | ||
| 1226 | G | 71 | Confident | 60.6 | Low | 4 Ų | 4 | 74 Ų | 74 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 163.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | I1228 P1244 Q1281 D1283 | G1226-I1228 PolarHBondContact O-N 3.05Å; G1226-P1244 WeakPolarHBondContact O-CD 3.17Å; G1226-P1244 VanDerWaalsContact O-CG 3.27Å; G1226-P1244 WeakPolarHBondContact O-CG 3.24Å; G1226-Q1281 WeakPolarHBondContact CA-O 3.17Å; G1226-D1283 VanDerWaalsContact CA-OD1 3.32Å; G1226-D1283 WeakPolarHBondContact CA-OD1 3.44Å; G1226-D1283 PolarHBondContact N-OD1 3.21Å |
| 1227 | T | 65.5 | Low | 59.2 | Low | 16 Ų | 16 | 73.7 Ų | 73.7 | 10% | 0.098 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 134.8 | -175.9 | 42 | 0 | 0 | 0 | 0 | 112.8 | Y1243 D1280 Q1281 | T1227-Y1243 HydrophobicContact CG2-CD1 3.76Å; T1227-Y1243 HydrophobicContact CG2-CD2 4.39Å; T1227-Y1243 HydrophobicContact CG2-CE1 3.42Å; T1227-Y1243 VanDerWaalsContact CG2-CE1 3.42Å; T1227-Y1243 HydrophobicContact CG2-CE2 4.1Å; T1227-Y1243 HydrophobicContact CG2-CG 4.23Å; T1227-D1280 WeakPolarHBondContact OG1-CB 3.42Å; T1227-D1280 PolarHBondContact OG1-OD2 3.23Å; T1227-Q1281 PolarHBondContact N-O 2.92Å; T1227-Q1281 VanDerWaalsContact N-O 3.11Å |
| 1228 | I | 60.5 | Low | 57.9 | Low | 67 Ų | 67 | 73.6 Ų | 73.6 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -92.5 | 121.8 | 170 | -22.4 | 173 | 0 | 0 | 0 | 108.3 | G1226 Q1242 P1244 | G1226-I1228 PolarHBondContact O-N 3.05Å; I1228-Q1242 WeakPolarHBondContact CG1-O 3.46Å; I1228-Q1242 PolarHBondContact N-O 3.11Å; I1228-P1244 HydrophobicContact CD1-CB 3.55Å; I1228-P1244 HydrophobicContact CD1-CG 4.19Å; I1228-P1244 HydrophobicContact CG1-CB 3.76Å; I1228-P1244 HydrophobicContact CG1-CG 3.81Å |
| 1229 | G | 50 | Low | 56.6 | Low | 39 Ų | 39 | 76.5 Ų | 76.5 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 132.4 | 166 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1231 | G1229-L1231 PolarHBondContact O-N 3.24Š|
| 1230 | K | 43 | Very low | 54.7 | Low | 190 Ų | 190 | 80.3 Ų | 80.3 | 83% | 0.826 | 42% | 0.42 | S | S | * | . | trans | -75.2 | 103.4 | 173.1 | -88 | -176.7 | 170 | -176.9 | 0 | 108.8 | Q1232 | K1230-Q1232 PolarHBondContact O-N 2.95Š| ||
| 1231 | L | 39.5 | Very low | 53 | Low | 95 Ų | 95 | 81.2 Ų | 81.2 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | trans | -69.3 | 113 | 156.8 | -116 | 100.2 | 0 | 0 | 0 | 107.9 | G1229 F1233 | G1229-L1231 PolarHBondContact O-N 3.24Å; L1231-F1233 PolarHBondContact O-N 3.46Å | ||
| 1232 | Q | 36.7 | Very low | 51.6 | Low | 187 Ų | 187 | 88.4 Ų | 88.4 | 87% | 0.874 | 46% | 0.463 | S | S | * | . | trans | -67.9 | 93.4 | 173.4 | -105.4 | 179 | -38.3 | 0 | 0 | 109.7 | K1230 F1234 | K1230-Q1232 PolarHBondContact O-N 2.95Å; Q1232-F1234 VanDerWaalsContact C-N 3.31Å; Q1232-F1234 PolarHBondContact O-N 3.28Å | ||
| 1233 | F | 34.3 | Very low | 50.7 | Low | 125 Ų | 125 | 92.8 Ų | 92.8 | 55% | 0.548 | 48% | 0.479 | S | S | . | . | S | Bend | trans | 24.2 | -0.8 | 150.9 | -121.6 | -88.5 | 0 | 0 | 0 | 125.4 | L1231 D1307 | L1231-F1233 PolarHBondContact O-N 3.46Å; F1233-D1307 VanDerWaalsContact CE2-OD2 3.24Å; F1233-D1307 WeakPolarHBondContact CE2-OD2 3.29Å; F1233-D1307 HydrophobicContact CZ-CB 4.04Å; F1233-D1307 WeakPolarHBondContact CZ-OD2 3.29Å |
| 1234 | F | 30.4 | Very low | 50 | Low | 181 Ų | 181 | 93 Ų | 93 | 79% | 0.794 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -142.9 | 6 | -174.9 | -93.7 | -75.1 | 0 | 0 | 0 | 119.6 | Q1232 | Q1232-F1234 VanDerWaalsContact C-N 3.31Å; Q1232-F1234 PolarHBondContact O-N 3.28Å |
| 1235 | L | 28.8 | Very low | 49.7 | Very low | 129 Ų | 129 | 96.6 Ų | 96.6 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | trans | -140.8 | 104.1 | 174.1 | -69.8 | 169.1 | 0 | 0 | 0 | 110.8 | Y1237 | L1235-Y1237 PolarHBondContact O-N 3.46Š| ||
| 1236 | F | 31.5 | Very low | 49.8 | Very low | 160 Ų | 160 | 98.9 Ų | 98.9 | 70% | 0.702 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -65.6 | 2.8 | 176.4 | -92.5 | -89.7 | 0 | 0 | 0 | 114.4 | ||
| 1237 | Y | 31.7 | Very low | 50.6 | Low | 139 Ų | 139 | 99 Ų | 99 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | trans | -143.2 | 81.2 | -176 | -78.6 | -97 | 0 | 0 | 0 | 111.1 | G1120 W1121 L1235 | G1120-Y1237 VanDerWaalsContact CA-CE2 3.46Å; G1120-Y1237 VanDerWaalsContact CA-OH 3.26Å; G1120-Y1237 WeakPolarHBondContact CA-OH 3.25Å; W1121-Y1237 PolarHBondContact N-OH 2.99Å; W1121-Y1237 VanDerWaalsContact N-OH 3.16Å; L1235-Y1237 PolarHBondContact O-N 3.46Å | ||
| 1238 | S | 32.7 | Very low | 51.6 | Low | 84 Ų | 84 | 100 Ų | 100 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | trans | -171.3 | 86.7 | 157.9 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | N1240 | S1238-N1240 VanDerWaalsContact C-N 3.28Å; S1238-N1240 PolarHBondContact O-N 2.92Å | ||
| 1239 | G | 36.7 | Very low | 52.7 | Low | 86 Ų | 86 | 96.9 Ų | 96.9 | 89% | 0.887 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 42.1 | 1.8 | 132.4 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||
| 1240 | N | 42.5 | Very low | 54 | Low | 157 Ų | 157 | 96.9 Ų | 96.9 | 84% | 0.84 | 49% | 0.486 | S | S | * | . | trans | -116.8 | 7.6 | -171.1 | -84.7 | -6.4 | 0 | 0 | 0 | 116 | S1238 Q1242 | S1238-N1240 VanDerWaalsContact C-N 3.28Å; S1238-N1240 PolarHBondContact O-N 2.92Å; N1240-Q1242 PolarHBondContact O-N 3.03Å | ||
| 1241 | G | 49.2 | Very low | 55.7 | Low | 20 Ų | 20 | 91.5 Ų | 91.5 | 21% | 0.206 | 46% | 0.464 | C | S | . | . | trans | -69.3 | 117.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1243 | G1241-Y1243 PolarHBondContact O-N 3.04Š| ||
| 1242 | Q | 57.2 | Low | 57.4 | Low | 151 Ų | 151 | 87.5 Ų | 87.5 | 71% | 0.706 | 44% | 0.443 | S | S | * | . | B | Isolated β-bridge | trans | -75.7 | 108.4 | 179.1 | -162.9 | 175.4 | 10.8 | 0 | 0 | 108.8 | I1228 N1240 | I1228-Q1242 WeakPolarHBondContact CG1-O 3.46Å; I1228-Q1242 PolarHBondContact N-O 3.11Å; N1240-Q1242 PolarHBondContact O-N 3.03Å |
| 1243 | Y | 67.3 | Low | 59 | Low | 107 Ų | 107 | 82.7 Ų | 82.7 | 42% | 0.42 | 43% | 0.43 | S | S | . | . | trans | -70.9 | 128.8 | 173.6 | -66.8 | -81.6 | 0 | 0 | 0 | 110 | T1227 G1241 | T1227-Y1243 HydrophobicContact CG2-CD1 3.76Å; T1227-Y1243 HydrophobicContact CG2-CD2 4.39Å; T1227-Y1243 HydrophobicContact CG2-CE1 3.42Å; T1227-Y1243 VanDerWaalsContact CG2-CE1 3.42Å; T1227-Y1243 HydrophobicContact CG2-CE2 4.1Å; T1227-Y1243 HydrophobicContact CG2-CG 4.23Å; G1241-Y1243 PolarHBondContact O-N 3.04Å | ||
| 1244 | P | 73.4 | Confident | 61 | Low | 7 Ų | 7 | 79.3 Ų | 79.3 | 5% | 0.045 | 42% | 0.417 | C | S | . | . | trans | -64.4 | 137.4 | 172.7 | 25.5 | -28.7 | 0 | 0 | 0 | 109.7 | W1225 G1226 I1228 E1246 Q1248 | W1225-P1244 WeakPolarHBondContact O-CD 3.36Å; G1226-P1244 WeakPolarHBondContact O-CD 3.17Å; G1226-P1244 VanDerWaalsContact O-CG 3.27Å; G1226-P1244 WeakPolarHBondContact O-CG 3.24Å; I1228-P1244 HydrophobicContact CD1-CB 3.55Å; I1228-P1244 HydrophobicContact CD1-CG 4.19Å; I1228-P1244 HydrophobicContact CG1-CB 3.76Å; I1228-P1244 HydrophobicContact CG1-CG 3.81Å; P1244-E1246 WeakPolarHBondContact CB-O 3.38Å; P1244-Q1248 HydrophobicContact CB-CG 3.83Å; P1244-Q1248 HydrophobicContact CG-CG 3.71Å | ||
| 1245 | N | 79.2 | Confident | 62.7 | Low | 78 Ų | 78 | 74.4 Ų | 74.4 | 42% | 0.417 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -73.3 | -21.2 | 168 | -65.8 | -48.2 | 0 | 0 | 0 | 111.7 | N1156 I1157 K1158 | N1156-N1245 CarbonylContact C-O 3.25Å; N1156-N1245 VanDerWaalsContact CA-O 3.26Å; N1156-N1245 WeakPolarHBondContact CA-O 3.5Å; I1157-N1245 VanDerWaalsContact CG1-O 3.25Å; I1157-N1245 WeakPolarHBondContact CG1-O 3.31Å; I1157-N1245 PolarHBondContact N-O 3.08Å; K1158-N1245 HydrophobicContact CB-CB 3.99Å |
| 1246 | E | 85.7 | Confident | 64.3 | Low | 55 Ų | 55 | 72.8 Ų | 72.8 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -115.8 | 144.5 | -173.3 | -62.6 | 178.5 | 144.7 | 0 | 0 | 110.4 | K1062 H1155 N1156 P1244 Q1248 | K1062-E1246 WeakPolarHBondContact CD-OE2 3.45Å; K1062-E1246 WeakPolarHBondContact CE-OE2 3.33Å; K1062-E1246 HydrophobicContact CG-CB 4.35Å; K1062-E1246 IonicContact NZ-OE1 2.72Å; K1062-E1246 PolarHBondContact NZ-OE1 3.33Å; K1062-E1246 IonicContact NZ-OE2 2.74Å; K1062-E1246 PolarHBondContact NZ-OE2 3.1Å; H1155-E1246 CarbonylContact O-C 3.51Å; H1155-E1246 VanDerWaalsContact O-CA 3.28Å; H1155-E1246 WeakPolarHBondContact O-CA 3.31Å; N1156-E1246 HydrophobicContact CB-CG 4.13Å; N1156-E1246 PolarHBondContact ND2-OE1 3.06Å; P1244-E1246 WeakPolarHBondContact CB-O 3.38Å; E1246-Q1248 PolarHBondContact O-N 2.81Å; E1246-Q1248 PolarHBondContact O-NE2 2.78Å |
| 1247 | L | 87.7 | Confident | 65.5 | Low | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | trans | -56.1 | 128.6 | -179.4 | -177.4 | 66.8 | 0 | 0 | 0 | 110.4 | A1063 H1068 Q1071 H1155 W1225 | A1063-L1247 HydrophobicContact CB-CB 4.26Å; A1063-L1247 HydrophobicContact CB-CD2 4.09Å; A1063-L1247 HydrophobicContact CB-CG 4.05Å; A1063-L1247 WeakPolarHBondContact CB-O 3.07Å; A1063-L1247 PolarHBondContact N-O 2.86Å; H1068-L1247 HydrophobicContact CB-CD2 4.44Å; Q1071-L1247 HydrophobicContact CB-CD2 4.32Å; Q1071-L1247 HydrophobicContact CG-CD1 3.85Å; Q1071-L1247 HydrophobicContact CG-CD2 4.07Å; H1155-L1247 PolarHBondContact O-N 2.79Å; W1225-L1247 HydrophobicContact CD2-CD1 3.86Å; W1225-L1247 HydrophobicContact CE3-CD1 3.88Å; W1225-L1247 HydrophobicContact CH2-CD1 3.78Å; W1225-L1247 HydrophobicContact CZ2-CB 3.89Å; W1225-L1247 HydrophobicContact CZ2-CD1 3.75Å; W1225-L1247 HydrophobicContact CZ2-CG 4.3Å; W1225-L1247 HydrophobicContact CZ3-CD1 3.84Å | ||
| 1248 | Q | 86 | Confident | 66.7 | Low | 36 Ų | 36 | 68.7 Ų | 68.7 | 17% | 0.168 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 151 | 174.9 | -57.7 | -56.9 | -55.6 | 0 | 0 | 110.2 | F1061 T1223 G1224 P1244 E1246 | F1061-Q1248 PolarHBondContact O-OE1 2.9Å; T1223-Q1248 VanDerWaalsContact CA-O 3.28Å; T1223-Q1248 WeakPolarHBondContact CA-O 3.3Å; G1224-Q1248 PolarHBondContact N-O 3.06Å; G1224-Q1248 VanDerWaalsContact N-O 3.15Å; G1224-Q1248 PolarHBondContact O-N 3.04Å; P1244-Q1248 HydrophobicContact CB-CG 3.83Å; P1244-Q1248 HydrophobicContact CG-CG 3.71Å; E1246-Q1248 PolarHBondContact O-N 2.81Å; E1246-Q1248 PolarHBondContact O-NE2 2.78Å |
| 1249 | Q | 83.2 | Confident | 68.1 | Low | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.009 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 150.7 | 172.3 | 68.3 | 177.2 | -22.3 | 0 | 0 | 111.3 | P1047 F1061 A1063 H1068 V1222 T1223 | P1047-Q1249 PolarHBondContact O-NE2 2.89Å; P1047-Q1249 PolarHBondContact O-OE1 2.7Å; F1061-Q1249 WeakPolarHBondContact CD1-O 3.47Å; F1061-Q1249 HydrophobicContact CD2-CG 3.69Å; F1061-Q1249 HydrophobicContact CE1-CG 4.26Å; F1061-Q1249 VanDerWaalsContact CE2-CD 3.44Å; F1061-Q1249 HydrophobicContact CE2-CG 3.45Å; F1061-Q1249 VanDerWaalsContact CE2-CG 3.45Å; F1061-Q1249 HydrophobicContact CG-CG 4.24Å; F1061-Q1249 HydrophobicContact CZ-CG 3.73Å; F1061-Q1249 PolarHBondContact N-O 2.87Å; F1061-Q1249 PolarHBondContact O-N 3.14Å; A1063-Q1249 HydrophobicContact CB-CB 4.13Å; A1063-Q1249 HydrophobicContact CB-CG 4.09Å; H1068-Q1249 PolarHBondContact NE2-OE1 2.9Å; V1222-Q1249 CarbonylContact O-C 3.41Å; V1222-Q1249 WeakPolarHBondContact O-CA 3.47Å; T1223-Q1249 HydrophobicContact CG2-CB 3.62Å |
| 1250 | F | 77.5 | Confident | 69.1 | Low | 39 Ų | 39 | 71.4 Ų | 71.4 | 17% | 0.171 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 133.6 | 173.1 | -178.8 | -119.3 | 0 | 0 | 0 | 111.1 | R1059 F1221 V1222 V1252 G1277 | R1059-F1250 HydrophobicContact CB-CE2 4.12Å; R1059-F1250 WeakPolarHBondContact O-CD2 3.25Å; R1059-F1250 WeakPolarHBondContact O-CE2 2.8Å; F1221-F1250 CarbonylContact C-O 3.49Å; F1221-F1250 VanDerWaalsContact CA-O 3.31Å; F1221-F1250 WeakPolarHBondContact CA-O 3.1Å; V1222-F1250 HydrophobicContact CG2-CB 3.82Å; V1222-F1250 HydrophobicContact CG2-CD1 4.26Å; V1222-F1250 PolarHBondContact N-O 3.46Å; V1222-F1250 PolarHBondContact O-N 3.05Å; F1250-V1252 HydrophobicContact CD1-CG1 3.52Å; F1250-V1252 HydrophobicContact CE1-CG1 3.81Å; F1250-G1277 VanDerWaalsContact CE1-O 3.25Å; F1250-G1277 WeakPolarHBondContact CE1-O 3.36Å |
| 1251 | E | 78.2 | Confident | 69.9 | Low | 76 Ų | 76 | 68.2 Ų | 68.2 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 118.7 | 176 | -168.4 | 166 | 177.1 | 0 | 0 | 109.7 | R1219 C1220 F1221 | R1219-E1251 WeakPolarHBondContact CB-OE1 3.45Å; R1219-E1251 VanDerWaalsContact CG-OE1 3.27Å; R1219-E1251 WeakPolarHBondContact CG-OE1 3.35Å; R1219-E1251 IonicContact NE-OE1 3.67Å; R1219-E1251 PolarHBondContact NE-OE1 3.35Å; R1219-E1251 VanDerWaalsContact NE-OE1 3.15Å; R1219-E1251 IonicContact NE-OE2 2.73Å; R1219-E1251 IonicContact NH2-OE2 2.85Å; R1219-E1251 PolarHBondContact NH2-OE2 3.36Å; C1220-E1251 CarbonylContact O-C 3.6Å; C1220-E1251 VanDerWaalsContact O-CA 3.28Å; C1220-E1251 WeakPolarHBondContact O-CA 3.14Å; F1221-E1251 HydrophobicContact CD1-CB 4.01Å; F1221-E1251 HydrophobicContact CD1-CG 4.44Å; F1221-E1251 HydrophobicContact CE1-CB 3.73Å; F1221-E1251 HydrophobicContact CE1-CG 4.03Å; F1221-E1251 HydrophobicContact CZ-CB 4.42Å; F1221-E1251 HydrophobicContact CZ-CG 4.23Å |
| 1252 | V | 74.9 | Confident | 70.5 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142.1 | -176.9 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | C1220 V1222 F1250 M1254 L1288 | C1220-V1252 HydrophobicContact CB-CG2 3.86Å; C1220-V1252 PolarHBondContact O-N 3.29Å; V1222-V1252 HydrophobicContact CG1-CG1 4.08Å; V1222-V1252 HydrophobicContact CG1-CG2 4.16Å; V1222-V1252 HydrophobicContact CG2-CG1 3.93Å; F1250-V1252 HydrophobicContact CD1-CG1 3.52Å; F1250-V1252 HydrophobicContact CE1-CG1 3.81Å; V1252-M1254 HydrophobicContact CG2-SD 4.37Å; V1252-L1288 HydrophobicContact CG2-CD1 3.41Å; V1252-L1288 VanDerWaalsContact CG2-CD1 3.41Å |
| 1253 | S | 72.2 | Confident | 70.7 | Confident | 86 Ų | 86 | 67.1 Ų | 67.1 | 60% | 0.601 | 34% | 0.339 | S | S | * | . | trans | -96.8 | 118.4 | 170.1 | -51 | 0 | 0 | 0 | 0 | 110.2 | S1272 | S1253-S1272 WeakPolarHBondContact O-CB 3.39Š| ||
| 1254 | M | 75 | Confident | 70.8 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 144.5 | -179 | -63.5 | -56.8 | -65.3 | 0 | 0 | 112 | A1214 V1252 L1270 L1288 | A1214-M1254 HydrophobicContact CB-CG 3.96Å; V1252-M1254 HydrophobicContact CG2-SD 4.37Å; M1254-L1270 HydrophobicContact CE-CB 3.78Å; M1254-L1270 HydrophobicContact CE-CD1 4.22Å; M1254-L1270 HydrophobicContact CE-CG 4.45Å; M1254-L1288 HydrophobicContact CE-CD2 3.76Å; M1254-L1288 HydrophobicContact SD-CD1 4.19Å; M1254-L1288 HydrophobicContact SD-CD2 3.71Å |
| 1255 | H | 66.9 | Low | 70.9 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | trans | -114.4 | 141.8 | -178.6 | -164.9 | 64.8 | 0 | 0 | 0 | 112 | G1257 C1271 | H1255-G1257 PolarHBondContact O-N 3.16Å; H1255-C1271 PolarHBondContact N-O 3.42Å; H1255-C1271 VanDerWaalsContact N-O 3.13Å | ||
| 1256 | D | 61.5 | Low | 70.7 | Confident | 95 Ų | 95 | 69 Ų | 69 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | trans | -77.2 | 35.3 | -169.6 | -115 | 9.5 | 0 | 0 | 0 | 115.2 | Q1216 K1258 | Q1216-D1256 PolarHBondContact NE2-OD1 3.05Å; Q1216-D1256 PolarHBondContact NE2-OD2 2.84Å; D1256-K1258 PolarHBondContact O-N 2.88Å | ||
| 1257 | G | 56.2 | Low | 70.4 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 25% | 0.247 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 77 | 13.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | H1255 V1259 | H1255-G1257 PolarHBondContact O-N 3.16Å; G1257-V1259 VanDerWaalsContact C-N 3.33Å; G1257-V1259 PolarHBondContact O-N 3.18Å |
| 1258 | K | 58.1 | Low | 70.2 | Confident | 190 Ų | 190 | 73.3 Ų | 73.3 | 83% | 0.826 | 36% | 0.364 | S | S | * | . | trans | -90.8 | 50.2 | 173.1 | -68.8 | -173.1 | -178.5 | 176.3 | 0 | 113.2 | D1256 | D1256-K1258 PolarHBondContact O-N 2.88Š| ||
| 1259 | V | 61.1 | Low | 70.1 | Confident | 19 Ų | 19 | 71.8 Ų | 71.8 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | trans | -91.3 | 123.1 | 173.5 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | G1257 Y1261 Y1264 C1271 V1308 F1317 | G1257-V1259 VanDerWaalsContact C-N 3.33Å; G1257-V1259 PolarHBondContact O-N 3.18Å; V1259-Y1261 PolarHBondContact O-N 2.99Å; V1259-Y1264 HydrophobicContact CB-CD1 4.09Å; V1259-Y1264 HydrophobicContact CB-CE1 4.42Å; V1259-Y1264 HydrophobicContact CB-CG 4.33Å; V1259-C1271 HydrophobicContact CG2-CB 4.01Å; V1259-C1271 WeakPolarHBondContact CG2-SG 3.37Å; V1259-V1308 HydrophobicContact CG1-CG2 3.96Å; V1259-F1317 HydrophobicContact CG1-CD2 4.34Å; V1259-F1317 HydrophobicContact CG1-CG 4.49Å; V1259-F1317 HydrophobicContact CG2-CD1 3.87Å; V1259-F1317 HydrophobicContact CG2-CE1 3.86Å; V1259-F1317 HydrophobicContact CG2-CG 4.29Å; V1259-F1317 HydrophobicContact CG2-CZ 4.27Å | ||
| 1260 | R | 57.9 | Low | 70.1 | Confident | 207 Ų | 207 | 72.1 Ų | 72.1 | 78% | 0.781 | 36% | 0.359 | S | S | * | . | trans | -87.5 | 73.6 | 173.9 | -76.3 | -174.2 | 176.8 | 173 | -0.9 | 110.2 | V1308 | R1260-V1308 WeakPolarHBondContact O-CG1 3.1Š| ||
| 1261 | Y | 60.4 | Low | 70.1 | Confident | 90 Ų | 90 | 70.3 Ų | 70.3 | 35% | 0.353 | 35% | 0.351 | S | S | . | . | trans | -127.5 | 130.3 | 170.8 | 174.7 | -112.5 | 0 | 0 | 0 | 108.6 | V1259 G1263 Y1264 V1306 | V1259-Y1261 PolarHBondContact O-N 2.99Å; Y1261-G1263 PolarHBondContact O-N 2.81Å; Y1261-Y1264 VanDerWaalsContact CD1-N 3.29Å; Y1261-Y1264 PolarHBondContact O-N 2.92Å; Y1261-V1306 HydrophobicContact CE1-CG1 4.12Å; Y1261-V1306 HydrophobicContact CE2-CG1 4.1Å | ||
| 1262 | S | 61 | Low | 69.9 | Low | 129 Ų | 129 | 66.8 Ų | 66.8 | 90% | 0.902 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -29.8 | -173 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1263 | G | 62.3 | Low | 69.6 | Low | 20 Ų | 20 | 71.6 Ų | 71.6 | 21% | 0.206 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -8.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1261 N1265 | Y1261-G1263 PolarHBondContact O-N 2.81Å; G1263-N1265 PolarHBondContact O-N 3.17Å |
| 1264 | Y | 69.2 | Low | 68.8 | Low | 33 Ų | 33 | 69.6 Ų | 69.6 | 13% | 0.129 | 33% | 0.333 | C | S | . | . | trans | -77 | 119.2 | -176.5 | 177.5 | -104.2 | 0 | 0 | 0 | 110.8 | V1259 Y1261 K1266 M1269 C1271 | V1259-Y1264 HydrophobicContact CB-CD1 4.09Å; V1259-Y1264 HydrophobicContact CB-CE1 4.42Å; V1259-Y1264 HydrophobicContact CB-CG 4.33Å; Y1261-Y1264 VanDerWaalsContact CD1-N 3.29Å; Y1261-Y1264 PolarHBondContact O-N 2.92Å; Y1264-K1266 HydrophobicContact CE1-CB 3.97Å; Y1264-M1269 HydrophobicContact CD2-CB 3.98Å; Y1264-M1269 HydrophobicContact CD2-SD 4.15Å; Y1264-M1269 HydrophobicContact CE2-CB 3.65Å; Y1264-M1269 PolarHBondContact OH-O 2.83Å; Y1264-M1269 VanDerWaalsContact OH-O 3.07Å; Y1264-C1271 HydrophobicContact CE2-CB 4.04Å | ||
| 1265 | N | 75.8 | Confident | 67.9 | Low | 51 Ų | 51 | 71.2 Ų | 71.2 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | trans | -116.6 | 102.3 | 176 | -171.8 | -18.3 | 0 | 0 | 0 | 111.4 | G1263 K1267 N1268 M1269 | G1263-N1265 PolarHBondContact O-N 3.17Å; N1265-K1267 PolarHBondContact O-N 3.26Å; N1265-K1267 VanDerWaalsContact OD1-CB 3.28Å; N1265-K1267 WeakPolarHBondContact OD1-CB 3.34Å; N1265-K1267 PolarHBondContact OD1-N 3.02Å; N1265-N1268 PolarHBondContact O-N 2.92Å; N1265-M1269 WeakPolarHBondContact O-CB 3.33Å; N1265-M1269 PolarHBondContact O-N 2.87Å | ||
| 1266 | K | 74.6 | Confident | 67 | Low | 148 Ų | 148 | 69.3 Ų | 69.3 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -21.6 | 177.7 | 71.1 | 175.7 | -174.9 | 174.4 | 0 | 115.2 | Y1264 | Y1264-K1266 HydrophobicContact CE1-CB 3.97Š|
| 1267 | K | 79.8 | Confident | 66.4 | Low | 143 Ų | 143 | 65.1 Ų | 65.1 | 62% | 0.622 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -33.6 | 177.2 | -66 | -173.9 | 175.3 | -177.9 | 0 | 112 | N1265 | N1265-K1267 PolarHBondContact O-N 3.26Å; N1265-K1267 VanDerWaalsContact OD1-CB 3.28Å; N1265-K1267 WeakPolarHBondContact OD1-CB 3.34Å; N1265-K1267 PolarHBondContact OD1-N 3.02Å |
| 1268 | N | 81.9 | Confident | 66.1 | Low | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.043 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -10.3 | -170.9 | -64.4 | 12.9 | 0 | 0 | 0 | 112.9 | D1184 N1265 K1322 R1325 | D1184-N1268 PolarHBondContact OD1-ND2 2.77Å; N1265-N1268 PolarHBondContact O-N 2.92Å; N1268-K1322 VanDerWaalsContact O-CB 3.31Å; N1268-K1322 WeakPolarHBondContact O-CB 2.74Å; N1268-K1322 PolarHBondContact O-N 3.36Å; N1268-R1325 PolarHBondContact OD1-NE 3.48Å |
| 1269 | M | 84.3 | Confident | 66 | Low | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.8 | -174 | -61.5 | 171.3 | 175.3 | 0 | 0 | 112.4 | D1181 K1182 Y1264 N1265 F1304 V1319 F1320 | D1181-M1269 VanDerWaalsContact O-CE 3.27Å; D1181-M1269 WeakPolarHBondContact O-CE 3.48Å; K1182-M1269 WeakPolarHBondContact O-CE 3.31Å; Y1264-M1269 HydrophobicContact CD2-CB 3.98Å; Y1264-M1269 HydrophobicContact CD2-SD 4.15Å; Y1264-M1269 HydrophobicContact CE2-CB 3.65Å; Y1264-M1269 PolarHBondContact OH-O 2.83Å; Y1264-M1269 VanDerWaalsContact OH-O 3.07Å; N1265-M1269 WeakPolarHBondContact O-CB 3.33Å; N1265-M1269 PolarHBondContact O-N 2.87Å; M1269-F1304 HydrophobicContact CE-CE1 4.33Å; M1269-V1319 HydrophobicContact CB-CG1 4.09Å; M1269-V1319 HydrophobicContact CG-CG1 4.23Å; M1269-V1319 HydrophobicContact SD-CG1 4.1Å; M1269-F1320 CarbonylContact C-O 3.55Å; M1269-F1320 VanDerWaalsContact CA-O 3.31Å; M1269-F1320 WeakPolarHBondContact CA-O 3.32Å |
| 1270 | L | 82.5 | Confident | 65.8 | Low | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 155.2 | 167.9 | -59.8 | 172.2 | 0 | 0 | 0 | 109.5 | M1254 L1288 Y1299 V1319 F1320 K1322 | M1254-L1270 HydrophobicContact CE-CB 3.78Å; M1254-L1270 HydrophobicContact CE-CD1 4.22Å; M1254-L1270 HydrophobicContact CE-CG 4.45Å; L1270-L1288 HydrophobicContact CD1-CD2 4.37Å; L1270-Y1299 WeakPolarHBondContact CD1-O 3.39Å; L1270-V1319 WeakPolarHBondContact O-CA 3.48Å; L1270-F1320 HydrophobicContact CB-CB 4.3Å; L1270-F1320 HydrophobicContact CB-CD2 4.46Å; L1270-F1320 PolarHBondContact N-O 3.49Å; L1270-F1320 PolarHBondContact O-N 3.07Å; L1270-K1322 HydrophobicContact CD1-CG 4.31Å; L1270-K1322 HydrophobicContact CD2-CD 4.14Å; L1270-K1322 HydrophobicContact CD2-CG 4.08Å; L1270-K1322 HydrophobicContact CG-CB 3.99Å; L1270-K1322 HydrophobicContact CG-CG 3.98Å |
| 1271 | C | 78.6 | Confident | 65.6 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 145.3 | 176.6 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | H1255 V1259 Y1264 A1318 | H1255-C1271 PolarHBondContact N-O 3.42Å; H1255-C1271 VanDerWaalsContact N-O 3.13Å; V1259-C1271 HydrophobicContact CG2-CB 4.01Å; V1259-C1271 WeakPolarHBondContact CG2-SG 3.37Å; Y1264-C1271 HydrophobicContact CE2-CB 4.04Å; C1271-A1318 CarbonylContact C-O 3.59Å; C1271-A1318 VanDerWaalsContact CA-O 3.26Å; C1271-A1318 WeakPolarHBondContact CA-O 2.98Å |
| 1272 | S | 74 | Confident | 65.4 | Low | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 148.6 | 165.5 | 71.2 | 0 | 0 | 0 | 0 | 110 | S1253 K1274 F1317 A1318 | S1253-S1272 WeakPolarHBondContact O-CB 3.39Å; S1272-K1274 PolarHBondContact O-N 3.23Å; S1272-F1317 WeakPolarHBondContact O-CA 3.23Å; S1272-A1318 PolarHBondContact N-O 2.94Å; S1272-A1318 PolarHBondContact O-N 3.39Å; S1272-A1318 WeakPolarHBondContact OG-CB 3.22Å |
| 1273 | R | 68.2 | Low | 65.9 | Low | 112 Ų | 112 | 44.6 Ų | 44.6 | 42% | 0.423 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 125.3 | 176 | -145.9 | -175.5 | -158.8 | 176.7 | 9.6 | 107.5 | N1275 Q1315 F1317 | R1273-N1275 PolarHBondContact O-N 3.25Å; R1273-Q1315 VanDerWaalsContact CZ-OE1 3.23Å; R1273-F1317 HydrophobicContact CB-CE1 4.25Å; R1273-F1317 HydrophobicContact CG-CD1 4.44Å; R1273-F1317 HydrophobicContact CG-CE1 3.87Å; R1273-F1317 HydrophobicContact CG-CZ 4.21Å |
| 1274 | K | 56.5 | Low | 66.8 | Low | 44 Ų | 44 | 44.6 Ų | 44.6 | 19% | 0.191 | 23% | 0.231 | C | C | . | . | trans | -73.8 | 87 | 174.9 | -146.7 | -179.1 | -177.8 | -173.3 | 0 | 106.6 | S1272 G1276 G1277 E1316 | S1272-K1274 PolarHBondContact O-N 3.23Å; K1274-G1276 PolarHBondContact O-N 2.94Å; K1274-G1277 WeakPolarHBondContact CG-O 3.22Å; K1274-E1316 HydrophobicContact CB-CB 3.79Å; K1274-E1316 WeakPolarHBondContact CB-O 3.15Å; K1274-E1316 HydrophobicContact CD-CB 3.61Å; K1274-E1316 HydrophobicContact CD-CG 4.47Å; K1274-E1316 WeakPolarHBondContact CD-OE2 3.34Å; K1274-E1316 WeakPolarHBondContact CE-OE2 3.27Å; K1274-E1316 HydrophobicContact CG-CB 4.35Å; K1274-E1316 PolarHBondContact N-O 2.81Å; K1274-E1316 IonicContact NZ-OE2 2.73Å; K1274-E1316 PolarHBondContact NZ-OE2 3.24Å | ||
| 1275 | N | 56.1 | Low | 67.6 | Low | 88 Ų | 88 | 43 Ų | 43 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -72.1 | 61.1 | 171.2 | -76.1 | -21.2 | 0 | 0 | 0 | 108.2 | R1059 R1273 G1277 | R1059-N1275 WeakPolarHBondContact CD-O 3.4Å; R1059-N1275 PolarHBondContact NH1-O 2.84Å; R1273-N1275 PolarHBondContact O-N 3.25Å; N1275-G1277 VanDerWaalsContact C-N 3.31Å; N1275-G1277 PolarHBondContact O-N 3.24Å |
| 1276 | G | 46.9 | Very low | 68.2 | Low | 38 Ų | 38 | 40.6 Ų | 40.6 | 39% | 0.392 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 62.7 | 15.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | R1059 K1274 | R1059-G1276 VanDerWaalsContact CD-O 3.25Å; R1059-G1276 WeakPolarHBondContact CD-O 3.38Å; R1059-G1276 WeakPolarHBondContact CG-O 3.43Å; K1274-G1276 PolarHBondContact O-N 2.94Å |
| 1277 | G | 49.3 | Very low | 69.1 | Low | 7 Ų | 7 | 33.5 Ų | 33.5 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | trans | -138.4 | 131.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | F1250 K1274 N1275 | F1250-G1277 VanDerWaalsContact CE1-O 3.25Å; F1250-G1277 WeakPolarHBondContact CE1-O 3.36Å; K1274-G1277 WeakPolarHBondContact CG-O 3.22Å; N1275-G1277 VanDerWaalsContact C-N 3.31Å; N1275-G1277 PolarHBondContact O-N 3.24Å | ||
| 1278 | G | 49.8 | Very low | 69.6 | Low | 29 Ų | 29 | 26.7 Ų | 26.7 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | trans | -177.6 | -177 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1280 | G1278-D1280 PolarHBondContact O-N 3.21Š| ||
| 1279 | I | 54.8 | Low | 70.1 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 5% | 0.046 | 15% | 0.149 | C | C | . | . | trans | -51.7 | 120.3 | -171.4 | -57.1 | 158.3 | 0 | 0 | 0 | 110.3 | D1283 I1302 S1305 A1318 F1320 | I1279-D1283 HydrophobicContact CG2-CB 4.2Å; I1279-I1302 HydrophobicContact CB-CG2 4.21Å; I1279-I1302 HydrophobicContact CD1-CG1 4.37Å; I1279-I1302 HydrophobicContact CD1-CG2 3.85Å; I1279-I1302 HydrophobicContact CG1-CG1 4.42Å; I1279-I1302 HydrophobicContact CG1-CG2 3.85Å; I1279-I1302 HydrophobicContact CG2-CG2 3.29Å; I1279-S1305 PolarHBondContact O-OG 2.87Å; I1279-A1318 HydrophobicContact CD1-CB 3.34Å; I1279-A1318 HydrophobicContact CG1-CB 4.14Å; I1279-F1320 HydrophobicContact CD1-CD1 4.4Å; I1279-F1320 HydrophobicContact CD1-CE1 3.75Å; I1279-F1320 HydrophobicContact CD1-CZ 3.88Å | ||
| 1280 | D | 57 | Low | 70.4 | Confident | 44 Ų | 44 | 26.1 Ų | 26.1 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | trans | -123.4 | -178.2 | 171.7 | -155.9 | -5 | 0 | 0 | 0 | 110 | T1227 G1278 G1282 D1283 | T1227-D1280 WeakPolarHBondContact OG1-CB 3.42Å; T1227-D1280 PolarHBondContact OG1-OD2 3.23Å; G1278-D1280 PolarHBondContact O-N 3.21Å; D1280-G1282 PolarHBondContact O-N 3.14Å; D1280-D1283 PolarHBondContact N-OD2 2.8Å; D1280-D1283 PolarHBondContact O-N 2.99Å | ||
| 1281 | Q | 55.6 | Low | 70.6 | Confident | 106 Ų | 106 | 28 Ų | 28 | 50% | 0.495 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 123.8 | 178.4 | -70.4 | -166.2 | 8 | 0 | 0 | 111.5 | G1226 T1227 | G1226-Q1281 WeakPolarHBondContact CA-O 3.17Å; T1227-Q1281 PolarHBondContact N-O 2.92Å; T1227-Q1281 VanDerWaalsContact N-O 3.11Å |
| 1282 | G | 56.3 | Low | 70.8 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 16% | 0.155 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 107.8 | -12.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1280 | D1280-G1282 PolarHBondContact O-N 3.14Š|
| 1283 | D | 70.2 | Confident | 71 | Confident | 25 Ų | 25 | 37.1 Ų | 37.1 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | trans | -88.9 | -12.6 | 172 | -63.2 | -36.7 | 0 | 0 | 0 | 113 | G1224 G1226 I1279 D1280 G1285 G1286 I1302 | G1224-D1283 VanDerWaalsContact CA-OD1 3.31Å; G1224-D1283 WeakPolarHBondContact CA-OD1 3.04Å; G1226-D1283 VanDerWaalsContact CA-OD1 3.32Å; G1226-D1283 WeakPolarHBondContact CA-OD1 3.44Å; G1226-D1283 PolarHBondContact N-OD1 3.21Å; I1279-D1283 HydrophobicContact CG2-CB 4.2Å; D1280-D1283 PolarHBondContact N-OD2 2.8Å; D1280-D1283 PolarHBondContact O-N 2.99Å; D1283-G1285 PolarHBondContact O-N 3.44Å; D1283-G1286 PolarHBondContact O-N 2.89Å; D1283-I1302 HydrophobicContact CB-CD1 4.23Å; D1283-I1302 HydrophobicContact CB-CG2 4.39Å; D1283-I1302 WeakPolarHBondContact O-CD1 3.31Å; D1283-I1302 WeakPolarHBondContact O-CG2 3.21Å | ||
| 1284 | S | 80.9 | Confident | 71.4 | Confident | 19 Ų | 19 | 37.5 Ų | 37.5 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 133.7 | -176.1 | -70.6 | 0 | 0 | 0 | 0 | 112.6 | G1086 H1106 C1107 G1286 | G1086-S1284 PolarHBondContact N-O 3.1Å; H1106-S1284 WeakPolarHBondContact NE2-CB 2.94Å; H1106-S1284 PolarHBondContact NE2-OG 3.12Å; C1107-S1284 PolarHBondContact SG-O 2.74Å; C1107-S1284 VanDerWaalsContact SG-O 3.41Å; S1284-G1286 VanDerWaalsContact C-N 3.27Å; S1284-G1286 PolarHBondContact O-N 3.48Å |
| 1285 | G | 86.3 | Confident | 72.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -8.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1086 G1087 T1103 D1283 I1302 | G1086-G1285 VanDerWaalsContact C-C 3.44Å; G1086-G1285 CarbonylContact C-O 3.52Å; G1086-G1285 CarbonylContact O-C 3.59Å; G1086-G1285 WeakPolarHBondContact O-CA 3.46Å; G1087-G1285 WeakPolarHBondContact CA-O 3.13Å; T1103-G1285 WeakPolarHBondContact OG1-CA 3.19Å; D1283-G1285 PolarHBondContact O-N 3.44Å; G1285-I1302 PolarHBondContact N-O 3.04Å |
| 1286 | G | 89.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -67.6 | 167.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1283 S1284 I1302 | D1283-G1286 PolarHBondContact O-N 2.89Å; S1284-G1286 VanDerWaalsContact C-N 3.27Å; S1284-G1286 PolarHBondContact O-N 3.48Å; G1286-I1302 WeakPolarHBondContact O-CG1 3.25Å; G1286-I1302 PolarHBondContact O-N 3.26Å | ||
| 1287 | P | 92.6 | Very high | 76.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 145.4 | -177.5 | 27.9 | -31.7 | 0 | 0 | 0 | 113.5 | Q1071 S1088 T1223 L1298 | Q1071-P1287 VanDerWaalsContact OE1-CD 3.28Å; S1088-P1287 VanDerWaalsContact OG-CB 3.29Å; S1088-P1287 WeakPolarHBondContact OG-CB 3.24Å; T1223-P1287 WeakPolarHBondContact OG1-CG 3.37Å; P1287-L1298 HydrophobicContact CB-CD1 3.47Å; P1287-L1298 VanDerWaalsContact CB-CD1 3.47Å |
| 1288 | L | 90.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 95.9 | 150.4 | 175.3 | 69.4 | 0 | 0 | 0 | 108.2 | C1220 F1221 V1222 V1252 M1254 L1270 Y1299 G1300 F1320 | C1220-L1288 HydrophobicContact CB-CD1 4.08Å; F1221-L1288 WeakPolarHBondContact O-CA 2.88Å; V1222-L1288 HydrophobicContact CG1-CD1 3.78Å; V1252-L1288 HydrophobicContact CG2-CD1 3.41Å; V1252-L1288 VanDerWaalsContact CG2-CD1 3.41Å; M1254-L1288 HydrophobicContact CE-CD2 3.76Å; M1254-L1288 HydrophobicContact SD-CD1 4.19Å; M1254-L1288 HydrophobicContact SD-CD2 3.71Å; L1270-L1288 HydrophobicContact CD1-CD2 4.37Å; L1288-Y1299 PolarHBondContact O-N 3.02Å; L1288-G1300 WeakPolarHBondContact CB-O 3.42Å; L1288-G1300 PolarHBondContact N-O 2.93Å; L1288-F1320 HydrophobicContact CB-CD1 3.91Å; L1288-F1320 HydrophobicContact CB-CE1 4.09Å; L1288-F1320 HydrophobicContact CB-CG 4.47Å; L1288-F1320 HydrophobicContact CD1-CE1 4.2Å; L1288-F1320 HydrophobicContact CD1-CZ 4.17Å; L1288-F1320 HydrophobicContact CD2-CB 4.49Å; L1288-F1320 HydrophobicContact CD2-CD1 4.2Å; L1288-F1320 HydrophobicContact CD2-CD2 4.05Å; L1288-F1320 HydrophobicContact CD2-CE1 4.44Å; L1288-F1320 HydrophobicContact CD2-CE2 4.32Å; L1288-F1320 HydrophobicContact CD2-CG 3.99Å; L1288-F1320 HydrophobicContact CG-CD1 4.49Å; L1288-F1320 HydrophobicContact CG-CE1 4.48Å |
| 1289 | A | 91.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 115.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | W1070 I1204 C1220 F1221 Y1296 | W1070-A1289 HydrophobicContact CZ2-CB 4.4Å; I1204-A1289 HydrophobicContact CD1-CB 3.49Å; I1204-A1289 VanDerWaalsContact CD1-CB 3.49Å; C1220-A1289 CarbonylContact C-O 3.56Å; C1220-A1289 WeakPolarHBondContact CA-O 3.03Å; F1221-A1289 PolarHBondContact N-O 3.41Å; F1221-A1289 PolarHBondContact O-N 3.01Å; A1289-Y1296 HydrophobicContact CB-CD1 4.33Å |
| 1290 | C | 90.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.4 | 179.7 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | R1219 C1220 K1292 Y1296 V1297 Y1299 | R1219-C1290 WeakPolarHBondContact O-CA 3.07Å; C1220-C1290 HydrophobicContact CB-CB 4.09Å; C1220-C1290 WeakPolarHBondContact CB-SG 3.41Å; C1220-C1290 WeakPolarHBondContact SG-CB 3.1Å; C1220-C1290 CovalentContact SG-SG 2.04Å; C1220-C1290 PolarHBondContact SG-SG 3.41Å; C1290-K1292 PolarHBondContact O-N 2.87Å; C1290-Y1296 WeakPolarHBondContact O-CA 2.94Å; C1290-V1297 PolarHBondContact N-O 3.08Å; C1290-V1297 PolarHBondContact O-N 3.44Å; C1290-Y1299 HydrophobicContact CB-CD2 3.62Å; C1290-Y1299 HydrophobicContact CB-CE2 3.95Å |
| 1291 | L | 87.9 | Confident | 83.8 | Confident | 48 Ų | 48 | 29.1 Ų | 29.1 | 25% | 0.251 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 121 | 175.4 | -173.3 | 65.5 | 0 | 0 | 0 | 110.6 | R1219 Y1296 | R1219-L1291 HydrophobicContact CB-CB 4.47Å; R1219-L1291 PolarHBondContact O-N 3.41Å; L1291-Y1296 HydrophobicContact CB-CD1 4.29Å; L1291-Y1296 HydrophobicContact CB-CE1 3.92Å; L1291-Y1296 HydrophobicContact CD1-CD2 4.07Å; L1291-Y1296 HydrophobicContact CD1-CE1 4.33Å; L1291-Y1296 HydrophobicContact CD1-CE2 3.84Å; L1291-Y1296 HydrophobicContact CD1-CG 4.44Å |
| 1292 | K | 83.3 | Confident | 85.4 | Confident | 54 Ų | 54 | 24.1 Ų | 24.1 | 24% | 0.235 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 130 | 174.6 | 175.8 | 176.5 | 173.9 | 177.7 | 0 | 109.8 | E1211 P1215 C1290 N1294 R1295 V1297 Y1299 | E1211-K1292 IonicContact OE1-NZ 2.93Å; E1211-K1292 PolarHBondContact OE1-NZ 3.12Å; E1211-K1292 IonicContact OE2-NZ 2.66Å; E1211-K1292 PolarHBondContact OE2-NZ 2.71Å; P1215-K1292 HydrophobicContact CG-CB 4.11Å; P1215-K1292 HydrophobicContact CG-CG 4.46Å; C1290-K1292 PolarHBondContact O-N 2.87Å; K1292-N1294 PolarHBondContact O-N 2.72Å; K1292-N1294 VanDerWaalsContact O-N 3.14Å; K1292-R1295 PolarHBondContact N-O 2.81Å; K1292-R1295 CarbonylContact O-C 3.46Å; K1292-R1295 PolarHBondContact O-N 3.29Å; K1292-V1297 HydrophobicContact CB-CG2 4.18Å; K1292-Y1299 WeakPolarHBondContact CD-OH 3.37Å |
| 1293 | D | 77.7 | Confident | 86.6 | Confident | 142 Ų | 142 | 23.6 Ų | 23.6 | 76% | 0.759 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 41 | 178.8 | -54.3 | -36.8 | 0 | 0 | 0 | 113.4 | R1295 | D1293-R1295 VanDerWaalsContact C-N 3.25Å; D1293-R1295 PolarHBondContact O-N 2.84Å |
| 1294 | N | 77.4 | Confident | 86.8 | Confident | 119 Ų | 119 | 24 Ų | 24 | 64% | 0.636 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 28.7 | -177.1 | -147.9 | 26.3 | 0 | 0 | 0 | 114.6 | K1292 | K1292-N1294 PolarHBondContact O-N 2.72Å; K1292-N1294 VanDerWaalsContact O-N 3.14Å |
| 1295 | R | 85 | Confident | 86 | Confident | 58 Ų | 58 | 25.3 Ų | 25.3 | 22% | 0.219 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.4 | 171.6 | -57.3 | -172.5 | -173.2 | -177.6 | -1.6 | 110.6 | G1041 K1042 K1292 D1293 | G1041-R1295 CarbonylContact O-C 3.54Å; G1041-R1295 WeakPolarHBondContact O-CA 3.29Å; K1042-R1295 HydrophobicContact CG-CG 4.3Å; K1292-R1295 PolarHBondContact N-O 2.81Å; K1292-R1295 CarbonylContact O-C 3.46Å; K1292-R1295 PolarHBondContact O-N 3.29Å; D1293-R1295 VanDerWaalsContact C-N 3.25Å; D1293-R1295 PolarHBondContact O-N 2.84Å |
| 1296 | Y | 90.5 | Very high | 84.9 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 128.5 | 172.3 | -73.2 | -86.4 | 0 | 0 | 0 | 110.8 | G1041 P1043 P1047 W1070 I1204 C1205 F1221 A1289 C1290 L1291 | G1041-Y1296 WeakPolarHBondContact CA-O 3.37Å; G1041-Y1296 PolarHBondContact O-N 3.34Å; P1043-Y1296 HydrophobicContact CG-CD2 4.1Å; P1043-Y1296 HydrophobicContact CG-CE2 4.05Å; P1047-Y1296 HydrophobicContact CG-CE1 4.27Å; P1047-Y1296 HydrophobicContact CG-CE2 4.05Å; P1047-Y1296 WeakPolarHBondContact CG-OH 3.37Å; W1070-Y1296 VanDerWaalsContact CH2-CB 3.48Å; W1070-Y1296 AromaticContact CH2-CD2 3.66Å; W1070-Y1296 HydrophobicContact CH2-CD2 3.66Å; W1070-Y1296 AromaticContact CH2-CG 3.64Å; W1070-Y1296 HydrophobicContact CH2-CG 3.64Å; W1070-Y1296 HydrophobicContact CZ2-CD1 4.41Å; W1070-Y1296 HydrophobicContact CZ2-CD2 4.29Å; W1070-Y1296 AromaticContact CZ2-CG 3.9Å; W1070-Y1296 HydrophobicContact CZ2-CG 3.9Å; I1204-Y1296 VanDerWaalsContact CG1-O 3.26Å; I1204-Y1296 WeakPolarHBondContact CG1-O 3.42Å; C1205-Y1296 WeakPolarHBondContact CB-O 3.38Å; C1205-Y1296 PolarHBondContact N-O 2.73Å; F1221-Y1296 AromaticContact CD2-CE1 3.94Å; F1221-Y1296 HydrophobicContact CD2-CE1 3.94Å; F1221-Y1296 HydrophobicContact CE2-CE1 4.09Å; A1289-Y1296 HydrophobicContact CB-CD1 4.33Å; C1290-Y1296 WeakPolarHBondContact O-CA 2.94Å; L1291-Y1296 HydrophobicContact CB-CD1 4.29Å; L1291-Y1296 HydrophobicContact CB-CE1 3.92Å; L1291-Y1296 HydrophobicContact CD1-CD2 4.07Å; L1291-Y1296 HydrophobicContact CD1-CE1 4.33Å; L1291-Y1296 HydrophobicContact CD1-CE2 3.84Å; L1291-Y1296 HydrophobicContact CD1-CG 4.44Å |
| 1297 | V | 91.3 | Very high | 83.2 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.8 | -177.5 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | C1205 P1207 C1290 K1292 Y1299 | C1205-V1297 HydrophobicContact CB-CG2 4.11Å; C1205-V1297 CarbonylContact O-C 3.6Å; C1205-V1297 WeakPolarHBondContact O-CA 3.3Å; P1207-V1297 HydrophobicContact CB-CG1 3.89Å; P1207-V1297 HydrophobicContact CG-CG1 4.45Å; C1290-V1297 PolarHBondContact N-O 3.08Å; C1290-V1297 PolarHBondContact O-N 3.44Å; K1292-V1297 HydrophobicContact CB-CG2 4.18Å; V1297-Y1299 HydrophobicContact CB-CD2 4.11Å; V1297-Y1299 HydrophobicContact CB-CE2 3.74Å; V1297-Y1299 HydrophobicContact CG1-CD2 4.06Å; V1297-Y1299 HydrophobicContact CG1-CE2 3.75Å; V1297-Y1299 PolarHBondContact O-N 2.98Å |
| 1298 | L | 93.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 94 | -179.6 | -174.7 | 67.8 | 0 | 0 | 0 | 111.4 | I1090 L1102 I1204 C1205 L1206 P1207 P1287 G1300 V1323 | I1090-L1298 HydrophobicContact CG2-CD2 3.79Å; L1102-L1298 HydrophobicContact CB-CD2 4.5Å; L1102-L1298 HydrophobicContact CD1-CD2 3.96Å; I1204-L1298 HydrophobicContact CD1-CB 4.04Å; I1204-L1298 HydrophobicContact CD1-CD1 4.46Å; I1204-L1298 HydrophobicContact CG1-CB 4.33Å; I1204-L1298 HydrophobicContact CG2-CB 3.8Å; I1204-L1298 HydrophobicContact CG2-CD2 4.23Å; I1204-L1298 HydrophobicContact CG2-CG 4.43Å; C1205-L1298 PolarHBondContact O-N 3.19Å; L1206-L1298 HydrophobicContact CD2-CD2 4.37Å; P1207-L1298 WeakPolarHBondContact CD-O 3.33Å; P1287-L1298 HydrophobicContact CB-CD1 3.47Å; P1287-L1298 VanDerWaalsContact CB-CD1 3.47Å; L1298-G1300 WeakPolarHBondContact CD1-O 3.28Å; L1298-V1323 HydrophobicContact CD2-CG2 4.41Å; L1298-V1323 HydrophobicContact CG-CG2 4.2Å; L1298-V1323 WeakPolarHBondContact O-CB 3.4Å |
| 1299 | Y | 90.2 | Very high | 78.9 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -28.8 | -179.2 | -84.3 | -90.6 | 0 | 0 | 0 | 113.5 | P1207 E1211 L1213 A1214 L1270 L1288 C1290 K1292 V1297 V1323 | P1207-Y1299 HydrophobicContact CB-CE1 4.32Å; E1211-Y1299 HydrophobicContact CB-CE1 4.46Å; E1211-Y1299 PolarHBondContact OE2-OH 3.22Å; E1211-Y1299 VanDerWaalsContact OE2-OH 3.06Å; L1213-Y1299 WeakPolarHBondContact O-CE1 3.27Å; A1214-Y1299 VanDerWaalsContact CA-CE1 3.49Å; A1214-Y1299 HydrophobicContact CB-CD1 3.91Å; A1214-Y1299 HydrophobicContact CB-CD2 4.36Å; A1214-Y1299 HydrophobicContact CB-CE1 4.27Å; A1214-Y1299 HydrophobicContact CB-CG 3.94Å; L1270-Y1299 WeakPolarHBondContact CD1-O 3.39Å; L1288-Y1299 PolarHBondContact O-N 3.02Å; C1290-Y1299 HydrophobicContact CB-CD2 3.62Å; C1290-Y1299 HydrophobicContact CB-CE2 3.95Å; K1292-Y1299 WeakPolarHBondContact CD-OH 3.37Å; V1297-Y1299 HydrophobicContact CB-CD2 4.11Å; V1297-Y1299 HydrophobicContact CB-CE2 3.74Å; V1297-Y1299 HydrophobicContact CG1-CD2 4.06Å; V1297-Y1299 HydrophobicContact CG1-CE2 3.75Å; V1297-Y1299 PolarHBondContact O-N 2.98Å; Y1299-V1323 PolarHBondContact O-N 2.96Å; Y1299-V1323 VanDerWaalsContact O-N 3.12Å |
| 1300 | G | 89 | Confident | 76.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1288 L1298 T1321 | L1288-G1300 WeakPolarHBondContact CB-O 3.42Å; L1288-G1300 PolarHBondContact N-O 2.93Å; L1298-G1300 WeakPolarHBondContact CD1-O 3.28Å; G1300-T1321 VanDerWaalsContact CA-O 3.24Å; G1300-T1321 WeakPolarHBondContact CA-O 3.37Å |
| 1301 | I | 90.8 | Very high | 73.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.8 | 169.3 | -59.3 | 168.2 | 0 | 0 | 0 | 107.3 | L1102 A1104 I1186 S1303 F1320 T1321 V1323 | L1102-I1301 HydrophobicContact CB-CD1 3.97Å; L1102-I1301 HydrophobicContact CD1-CD1 4.27Å; A1104-I1301 HydrophobicContact CB-CG2 4.37Å; I1186-I1301 HydrophobicContact CB-CD1 4.25Å; I1186-I1301 HydrophobicContact CD1-CD1 3.56Å; I1186-I1301 HydrophobicContact CG1-CD1 3.54Å; I1301-S1303 PolarHBondContact O-N 2.81Å; I1301-F1320 CarbonylContact O-C 3.21Å; I1301-F1320 WeakPolarHBondContact O-CA 3.43Å; I1301-F1320 WeakPolarHBondContact O-CB 3.34Å; I1301-T1321 PolarHBondContact N-O 3.37Å; I1301-T1321 VanDerWaalsContact N-O 3.11Å; I1301-T1321 PolarHBondContact O-N 3.4Å; I1301-V1323 HydrophobicContact CD1-CG2 4.27Å; I1301-V1323 HydrophobicContact CG1-CG2 3.95Å |
| 1302 | I | 87.6 | Confident | 71.7 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 118.5 | 178.9 | -67.8 | 173.5 | 0 | 0 | 0 | 109.5 | V1222 I1279 D1283 G1285 G1286 F1320 | V1222-I1302 HydrophobicContact CB-CD1 4.14Å; V1222-I1302 HydrophobicContact CG1-CD1 4.44Å; I1279-I1302 HydrophobicContact CB-CG2 4.21Å; I1279-I1302 HydrophobicContact CD1-CG1 4.37Å; I1279-I1302 HydrophobicContact CD1-CG2 3.85Å; I1279-I1302 HydrophobicContact CG1-CG1 4.42Å; I1279-I1302 HydrophobicContact CG1-CG2 3.85Å; I1279-I1302 HydrophobicContact CG2-CG2 3.29Å; D1283-I1302 HydrophobicContact CB-CD1 4.23Å; D1283-I1302 HydrophobicContact CB-CG2 4.39Å; D1283-I1302 WeakPolarHBondContact O-CD1 3.31Å; D1283-I1302 WeakPolarHBondContact O-CG2 3.21Å; G1285-I1302 PolarHBondContact N-O 3.04Å; G1286-I1302 WeakPolarHBondContact O-CG1 3.25Å; G1286-I1302 PolarHBondContact O-N 3.26Å; I1302-F1320 HydrophobicContact CG1-CD1 3.94Å; I1302-F1320 HydrophobicContact CG1-CE1 3.82Å |
| 1303 | S | 81.2 | Confident | 69.6 | Low | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -67.6 | -176.6 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | H1106 D1185 I1301 V1319 | H1106-S1303 PolarHBondContact CE1-O 3.5Å; H1106-S1303 VanDerWaalsContact CE1-O 3.25Å; D1185-S1303 WeakPolarHBondContact CB-OG 3.33Å; D1185-S1303 WeakPolarHBondContact OD2-CB 3.4Å; D1185-S1303 PolarHBondContact OD2-OG 2.6Å; I1301-S1303 PolarHBondContact O-N 2.81Å; S1303-V1319 PolarHBondContact N-O 3.03Å |
| 1304 | F | 74.6 | Confident | 68 | Low | 34 Ų | 34 | 55.9 Ų | 55.9 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 171.4 | 179.1 | 62.4 | -90.1 | 0 | 0 | 0 | 112.6 | K1182 M1269 V1306 V1319 | K1182-F1304 HydrophobicContact CB-CD1 3.79Å; K1182-F1304 HydrophobicContact CB-CE1 3.45Å; K1182-F1304 VanDerWaalsContact CB-CE1 3.45Å; K1182-F1304 HydrophobicContact CB-CZ 4.32Å; K1182-F1304 HydrophobicContact CG-CD1 3.94Å; K1182-F1304 HydrophobicContact CG-CE1 3.98Å; M1269-F1304 HydrophobicContact CE-CE1 4.33Å; F1304-V1306 HydrophobicContact CD2-CG1 3.71Å; F1304-V1306 HydrophobicContact CE2-CB 4.3Å; F1304-V1306 HydrophobicContact CE2-CG1 3.45Å; F1304-V1306 VanDerWaalsContact CE2-CG1 3.45Å; F1304-V1306 HydrophobicContact CE2-CG2 4.02Å; F1304-V1319 HydrophobicContact CD1-CB 4.43Å; F1304-V1319 HydrophobicContact CD2-CB 4.17Å; F1304-V1319 HydrophobicContact CD2-CG2 4.24Å; F1304-V1319 HydrophobicContact CE1-CB 4.13Å; F1304-V1319 HydrophobicContact CE1-CG1 3.85Å; F1304-V1319 HydrophobicContact CE2-CB 3.87Å; F1304-V1319 HydrophobicContact CE2-CG1 4.23Å; F1304-V1319 HydrophobicContact CE2-CG2 3.7Å; F1304-V1319 HydrophobicContact CG-CB 4.44Å; F1304-V1319 HydrophobicContact CZ-CB 3.86Å; F1304-V1319 HydrophobicContact CZ-CG1 3.7Å; F1304-V1319 HydrophobicContact CZ-CG2 4Å; F1304-V1319 PolarHBondContact N-O 3.03Å; F1304-V1319 WeakPolarHBondContact O-CA 3.25Å; F1304-V1319 WeakPolarHBondContact O-CB 3.31Å; F1304-V1319 PolarHBondContact O-N 3.15Å |
| 1305 | S | 65.5 | Low | 66.9 | Low | 47 Ų | 47 | 52.6 Ų | 52.6 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138 | 170.3 | -70.3 | 0 | 0 | 0 | 0 | 109.6 | I1279 F1317 | I1279-S1305 PolarHBondContact O-OG 2.87Å; S1305-F1317 WeakPolarHBondContact CA-O 3.49Å |
| 1306 | V | 61.9 | Low | 65.6 | Low | 20 Ų | 20 | 53.1 Ų | 53.1 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.5 | 172.6 | -85.3 | 0 | 0 | 0 | 0 | 110.8 | Y1261 F1304 V1308 E1316 F1317 V1319 | Y1261-V1306 HydrophobicContact CE1-CG1 4.12Å; Y1261-V1306 HydrophobicContact CE2-CG1 4.1Å; F1304-V1306 HydrophobicContact CD2-CG1 3.71Å; F1304-V1306 HydrophobicContact CE2-CB 4.3Å; F1304-V1306 HydrophobicContact CE2-CG1 3.45Å; F1304-V1306 VanDerWaalsContact CE2-CG1 3.45Å; F1304-V1306 HydrophobicContact CE2-CG2 4.02Å; V1306-V1308 HydrophobicContact CG2-CG2 4.19Å; V1306-E1316 WeakPolarHBondContact O-CA 3.32Å; V1306-F1317 HydrophobicContact CG2-CB 4.44Å; V1306-F1317 PolarHBondContact N-O 2.68Å; V1306-F1317 PolarHBondContact O-N 3.41Å; V1306-V1319 HydrophobicContact CG2-CG2 3.82Å |
| 1307 | D | 54.5 | Low | 64.6 | Low | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.214 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114.1 | 167.7 | -134.3 | -11 | 0 | 0 | 0 | 109.1 | F1233 S1314 E1316 | F1233-D1307 VanDerWaalsContact CE2-OD2 3.24Å; F1233-D1307 WeakPolarHBondContact CE2-OD2 3.29Å; F1233-D1307 HydrophobicContact CZ-CB 4.04Å; F1233-D1307 WeakPolarHBondContact CZ-OD2 3.29Å; D1307-S1314 WeakPolarHBondContact OD1-CB 3.5Å; D1307-E1316 HydrophobicContact CB-CG 4.48Å; D1307-E1316 WeakPolarHBondContact OD1-CG 2.85Å; D1307-E1316 PolarHBondContact OD1-N 2.93Å |
| 1308 | V | 50.7 | Low | 63.7 | Low | 11 Ų | 11 | 52.9 Ų | 52.9 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 108.3 | 178 | -175.5 | 0 | 0 | 0 | 0 | 107.7 | V1259 R1260 V1306 C1310 Q1315 F1317 | V1259-V1308 HydrophobicContact CG1-CG2 3.96Å; R1260-V1308 WeakPolarHBondContact O-CG1 3.1Å; V1306-V1308 HydrophobicContact CG2-CG2 4.19Å; V1308-C1310 PolarHBondContact O-N 3.07Å; V1308-Q1315 PolarHBondContact N-O 2.85Å; V1308-Q1315 PolarHBondContact O-N 2.91Å; V1308-Q1315 VanDerWaalsContact O-N 3.16Å; V1308-F1317 HydrophobicContact CB-CD2 4.09Å; V1308-F1317 HydrophobicContact CB-CE2 4.17Å; V1308-F1317 HydrophobicContact CG2-CD2 3.92Å; V1308-F1317 HydrophobicContact CG2-CE2 4.42Å |
| 1309 | F | 43 | Very low | 63.1 | Low | 168 Ų | 168 | 53 Ų | 53 | 74% | 0.737 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 100.7 | 170.7 | -78.3 | -85.5 | 0 | 0 | 0 | 109.3 | ||
| 1310 | C | 36.8 | Very low | 62.9 | Low | 51 Ų | 51 | 52.7 Ų | 52.7 | 35% | 0.345 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 105.3 | 172.4 | -156.6 | 0 | 0 | 0 | 0 | 108.7 | V1308 Y1312 K1313 | V1308-C1310 PolarHBondContact O-N 3.07Å; C1310-Y1312 PolarHBondContact O-N 2.82Å; C1310-K1313 PolarHBondContact O-N 3.11Å |
| 1311 | L | 39.6 | Very low | 62.8 | Low | 145 Ų | 145 | 52.9 Ų | 52.9 | 76% | 0.759 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 61 | 165.5 | -68.6 | 162.8 | 0 | 0 | 0 | 115.1 | ||
| 1312 | Y | 40.7 | Very low | 62.8 | Low | 235 Ų | 235 | 53.7 Ų | 53.7 | 92% | 0.922 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 8.9 | 176.6 | -60.7 | -86.2 | 0 | 0 | 0 | 117.9 | C1310 | C1310-Y1312 PolarHBondContact O-N 2.82Š|
| 1313 | K | 39.7 | Very low | 63 | Low | 155 Ų | 155 | 53.7 Ų | 53.7 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 117.8 | 162.4 | -72.8 | -177 | 177.9 | 177.5 | 0 | 109.7 | C1310 Q1315 | C1310-K1313 PolarHBondContact O-N 3.11Å; K1313-Q1315 PolarHBondContact O-N 3.46Å |
| 1314 | S | 44.2 | Very low | 63.4 | Low | 61 Ų | 61 | 53.9 Ų | 53.9 | 43% | 0.427 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 129.6 | 167.4 | 77.9 | 0 | 0 | 0 | 0 | 107.6 | D1307 | D1307-S1314 WeakPolarHBondContact OD1-CB 3.5Å |
| 1315 | Q | 55 | Low | 64 | Low | 50 Ų | 50 | 58.9 Ų | 58.9 | 23% | 0.234 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 114.9 | 172.4 | -74.7 | 174.8 | 21.2 | 0 | 0 | 106.9 | R1273 V1308 K1313 F1317 | R1273-Q1315 VanDerWaalsContact CZ-OE1 3.23Å; V1308-Q1315 PolarHBondContact N-O 2.85Å; V1308-Q1315 PolarHBondContact O-N 2.91Å; V1308-Q1315 VanDerWaalsContact O-N 3.16Å; K1313-Q1315 PolarHBondContact O-N 3.46Å; Q1315-F1317 HydrophobicContact CB-CD2 4.4Å; Q1315-F1317 HydrophobicContact CB-CE2 3.71Å; Q1315-F1317 HydrophobicContact CB-CZ 4.27Å; Q1315-F1317 VanDerWaalsContact O-CD2 3.24Å; Q1315-F1317 WeakPolarHBondContact O-CD2 3.38Å |
| 1316 | E | 57.5 | Low | 65.1 | Low | 69 Ų | 69 | 57.4 Ų | 57.4 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 131.2 | 172.1 | -68.8 | 178.1 | -147.8 | 0 | 0 | 108.8 | K1274 V1306 D1307 | K1274-E1316 HydrophobicContact CB-CB 3.79Å; K1274-E1316 WeakPolarHBondContact CB-O 3.15Å; K1274-E1316 HydrophobicContact CD-CB 3.61Å; K1274-E1316 HydrophobicContact CD-CG 4.47Å; K1274-E1316 WeakPolarHBondContact CD-OE2 3.34Å; K1274-E1316 WeakPolarHBondContact CE-OE2 3.27Å; K1274-E1316 HydrophobicContact CG-CB 4.35Å; K1274-E1316 PolarHBondContact N-O 2.81Å; K1274-E1316 IonicContact NZ-OE2 2.73Å; K1274-E1316 PolarHBondContact NZ-OE2 3.24Å; V1306-E1316 WeakPolarHBondContact O-CA 3.32Å; D1307-E1316 HydrophobicContact CB-CG 4.48Å; D1307-E1316 WeakPolarHBondContact OD1-CG 2.85Å; D1307-E1316 PolarHBondContact OD1-N 2.93Å |
| 1317 | F | 68.7 | Low | 66.4 | Low | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.6 | 172.3 | -70.3 | -91.4 | 0 | 0 | 0 | 109.7 | V1259 S1272 R1273 S1305 V1306 V1308 Q1315 | V1259-F1317 HydrophobicContact CG1-CD2 4.34Å; V1259-F1317 HydrophobicContact CG1-CG 4.49Å; V1259-F1317 HydrophobicContact CG2-CD1 3.87Å; V1259-F1317 HydrophobicContact CG2-CE1 3.86Å; V1259-F1317 HydrophobicContact CG2-CG 4.29Å; V1259-F1317 HydrophobicContact CG2-CZ 4.27Å; S1272-F1317 WeakPolarHBondContact O-CA 3.23Å; R1273-F1317 HydrophobicContact CB-CE1 4.25Å; R1273-F1317 HydrophobicContact CG-CD1 4.44Å; R1273-F1317 HydrophobicContact CG-CE1 3.87Å; R1273-F1317 HydrophobicContact CG-CZ 4.21Å; S1305-F1317 WeakPolarHBondContact CA-O 3.49Å; V1306-F1317 HydrophobicContact CG2-CB 4.44Å; V1306-F1317 PolarHBondContact N-O 2.68Å; V1306-F1317 PolarHBondContact O-N 3.41Å; V1308-F1317 HydrophobicContact CB-CD2 4.09Å; V1308-F1317 HydrophobicContact CB-CE2 4.17Å; V1308-F1317 HydrophobicContact CG2-CD2 3.92Å; V1308-F1317 HydrophobicContact CG2-CE2 4.42Å; Q1315-F1317 HydrophobicContact CB-CD2 4.4Å; Q1315-F1317 HydrophobicContact CB-CE2 3.71Å; Q1315-F1317 HydrophobicContact CB-CZ 4.27Å; Q1315-F1317 VanDerWaalsContact O-CD2 3.24Å; Q1315-F1317 WeakPolarHBondContact O-CD2 3.38Å |
| 1318 | A | 73.7 | Confident | 67.8 | Low | 3 Ų | 3 | 59.5 Ų | 59.5 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 123.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | C1271 S1272 I1279 F1320 | C1271-A1318 CarbonylContact C-O 3.59Å; C1271-A1318 VanDerWaalsContact CA-O 3.26Å; C1271-A1318 WeakPolarHBondContact CA-O 2.98Å; S1272-A1318 PolarHBondContact N-O 2.94Å; S1272-A1318 PolarHBondContact O-N 3.39Å; S1272-A1318 WeakPolarHBondContact OG-CB 3.22Å; I1279-A1318 HydrophobicContact CD1-CB 3.34Å; I1279-A1318 HydrophobicContact CG1-CB 4.14Å; A1318-F1320 HydrophobicContact CB-CE2 3.94Å; A1318-F1320 HydrophobicContact CB-CZ 3.9Å |
| 1319 | V | 80 | Confident | 69.4 | Low | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.7 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 110 | M1269 L1270 S1303 F1304 V1306 | M1269-V1319 HydrophobicContact CB-CG1 4.09Å; M1269-V1319 HydrophobicContact CG-CG1 4.23Å; M1269-V1319 HydrophobicContact SD-CG1 4.1Å; L1270-V1319 WeakPolarHBondContact O-CA 3.48Å; S1303-V1319 PolarHBondContact N-O 3.03Å; F1304-V1319 HydrophobicContact CD1-CB 4.43Å; F1304-V1319 HydrophobicContact CD2-CB 4.17Å; F1304-V1319 HydrophobicContact CD2-CG2 4.24Å; F1304-V1319 HydrophobicContact CE1-CB 4.13Å; F1304-V1319 HydrophobicContact CE1-CG1 3.85Å; F1304-V1319 HydrophobicContact CE2-CB 3.87Å; F1304-V1319 HydrophobicContact CE2-CG1 4.23Å; F1304-V1319 HydrophobicContact CE2-CG2 3.7Å; F1304-V1319 HydrophobicContact CG-CB 4.44Å; F1304-V1319 HydrophobicContact CZ-CB 3.86Å; F1304-V1319 HydrophobicContact CZ-CG1 3.7Å; F1304-V1319 HydrophobicContact CZ-CG2 4Å; F1304-V1319 PolarHBondContact N-O 3.03Å; F1304-V1319 WeakPolarHBondContact O-CA 3.25Å; F1304-V1319 WeakPolarHBondContact O-CB 3.31Å; F1304-V1319 PolarHBondContact O-N 3.15Å; V1306-V1319 HydrophobicContact CG2-CG2 3.82Å |
| 1320 | F | 85.4 | Confident | 71.4 | Confident | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 143.3 | -179.7 | -47.1 | -94.1 | 0 | 0 | 0 | 110.3 | V1222 M1269 L1270 I1279 L1288 I1301 I1302 A1318 K1322 | V1222-F1320 HydrophobicContact CG1-CE1 3.56Å; V1222-F1320 HydrophobicContact CG1-CZ 3.8Å; M1269-F1320 CarbonylContact C-O 3.55Å; M1269-F1320 VanDerWaalsContact CA-O 3.31Å; M1269-F1320 WeakPolarHBondContact CA-O 3.32Å; L1270-F1320 HydrophobicContact CB-CB 4.3Å; L1270-F1320 HydrophobicContact CB-CD2 4.46Å; L1270-F1320 PolarHBondContact N-O 3.49Å; L1270-F1320 PolarHBondContact O-N 3.07Å; I1279-F1320 HydrophobicContact CD1-CD1 4.4Å; I1279-F1320 HydrophobicContact CD1-CE1 3.75Å; I1279-F1320 HydrophobicContact CD1-CZ 3.88Å; L1288-F1320 HydrophobicContact CB-CD1 3.91Å; L1288-F1320 HydrophobicContact CB-CE1 4.09Å; L1288-F1320 HydrophobicContact CB-CG 4.47Å; L1288-F1320 HydrophobicContact CD1-CE1 4.2Å; L1288-F1320 HydrophobicContact CD1-CZ 4.17Å; L1288-F1320 HydrophobicContact CD2-CB 4.49Å; L1288-F1320 HydrophobicContact CD2-CD1 4.2Å; L1288-F1320 HydrophobicContact CD2-CD2 4.05Å; L1288-F1320 HydrophobicContact CD2-CE1 4.44Å; L1288-F1320 HydrophobicContact CD2-CE2 4.32Å; L1288-F1320 HydrophobicContact CD2-CG 3.99Å; L1288-F1320 HydrophobicContact CG-CD1 4.49Å; L1288-F1320 HydrophobicContact CG-CE1 4.48Å; I1301-F1320 CarbonylContact O-C 3.21Å; I1301-F1320 WeakPolarHBondContact O-CA 3.43Å; I1301-F1320 WeakPolarHBondContact O-CB 3.34Å; I1302-F1320 HydrophobicContact CG1-CD1 3.94Å; I1302-F1320 HydrophobicContact CG1-CE1 3.82Å; A1318-F1320 HydrophobicContact CB-CE2 3.94Å; A1318-F1320 HydrophobicContact CB-CZ 3.9Å; F1320-K1322 PolarHBondContact O-N 3.25Å |
| 1321 | T | 88.5 | Confident | 73.4 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 125.4 | 168.8 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | D1185 I1186 G1300 I1301 V1323 Y1326 | D1185-T1321 WeakPolarHBondContact O-CB 3.44Å; D1185-T1321 PolarHBondContact O-OG1 3.28Å; I1186-T1321 HydrophobicContact CB-CG2 4.04Å; I1186-T1321 HydrophobicContact CG2-CG2 4.45Å; G1300-T1321 VanDerWaalsContact CA-O 3.24Å; G1300-T1321 WeakPolarHBondContact CA-O 3.37Å; I1301-T1321 PolarHBondContact N-O 3.37Å; I1301-T1321 VanDerWaalsContact N-O 3.11Å; I1301-T1321 PolarHBondContact O-N 3.4Å; T1321-V1323 PolarHBondContact O-N 2.83Å; T1321-Y1326 HydrophobicContact CG2-CD2 4.02Å; T1321-Y1326 HydrophobicContact CG2-CE2 3.27Å |
| 1322 | K | 90 | Very high | 75.1 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.078 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 106.1 | -175.1 | -175 | 179.2 | -176.2 | 172.3 | 0 | 111.4 | E1212 N1268 L1270 F1320 S1324 R1325 Y1326 | E1212-K1322 WeakPolarHBondContact O-CE 3.48Å; E1212-K1322 PolarHBondContact O-NZ 3.2Å; N1268-K1322 VanDerWaalsContact O-CB 3.31Å; N1268-K1322 WeakPolarHBondContact O-CB 2.74Å; N1268-K1322 PolarHBondContact O-N 3.36Å; L1270-K1322 HydrophobicContact CD1-CG 4.31Å; L1270-K1322 HydrophobicContact CD2-CD 4.14Å; L1270-K1322 HydrophobicContact CD2-CG 4.08Å; L1270-K1322 HydrophobicContact CG-CB 3.99Å; L1270-K1322 HydrophobicContact CG-CG 3.98Å; F1320-K1322 PolarHBondContact O-N 3.25Å; K1322-S1324 WeakPolarHBondContact CE-OG 3.34Å; K1322-S1324 PolarHBondContact O-N 2.79Å; K1322-R1325 HydrophobicContact CB-CB 4.48Å; K1322-R1325 WeakPolarHBondContact O-CB 3.02Å; K1322-R1325 PolarHBondContact O-N 3.37Å; K1322-Y1326 WeakPolarHBondContact O-CD2 3.02Å; K1322-Y1326 VanDerWaalsContact O-CE2 3.31Å; K1322-Y1326 WeakPolarHBondContact O-CE2 3.41Å |
| 1323 | V | 91.9 | Very high | 76.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | -172.3 | 175 | 0 | 0 | 0 | 0 | 113.1 | L1102 L1206 P1207 L1298 Y1299 I1301 T1321 R1325 Y1326 L1327 | L1102-V1323 HydrophobicContact CD1-CG1 4.46Å; L1206-V1323 HydrophobicContact CD2-CG1 4.01Å; P1207-V1323 HydrophobicContact CG-CB 4.33Å; P1207-V1323 HydrophobicContact CG-CG1 4.16Å; L1298-V1323 HydrophobicContact CD2-CG2 4.41Å; L1298-V1323 HydrophobicContact CG-CG2 4.2Å; L1298-V1323 WeakPolarHBondContact O-CB 3.4Å; Y1299-V1323 PolarHBondContact O-N 2.96Å; Y1299-V1323 VanDerWaalsContact O-N 3.12Å; I1301-V1323 HydrophobicContact CD1-CG2 4.27Å; I1301-V1323 HydrophobicContact CG1-CG2 3.95Å; T1321-V1323 PolarHBondContact O-N 2.83Å; V1323-R1325 PolarHBondContact O-N 2.78Å; V1323-R1325 VanDerWaalsContact O-N 3.07Å; V1323-Y1326 PolarHBondContact O-N 3.29Å; V1323-L1327 HydrophobicContact CG1-CD2 4.35Å; V1323-L1327 PolarHBondContact O-N 3.46Å |
| 1324 | S | 88.8 | Confident | 78 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.3 | -28.8 | -179 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | E1211 K1322 Y1326 | E1211-S1324 VanDerWaalsContact O-CB 3.3Å; E1211-S1324 WeakPolarHBondContact O-CB 3.35Å; E1211-S1324 PolarHBondContact O-OG 3.05Å; K1322-S1324 WeakPolarHBondContact CE-OG 3.34Å; K1322-S1324 PolarHBondContact O-N 2.79Å; S1324-Y1326 VanDerWaalsContact C-N 3.31Å; S1324-Y1326 PolarHBondContact O-N 2.93Å |
| 1325 | R | 88.1 | Confident | 78.7 | Confident | 139 Ų | 139 | 43 Ų | 43 | 53% | 0.525 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.1 | -30.2 | 176.7 | -178.4 | 61.1 | -178.7 | 126.5 | 3.5 | 113.4 | N1268 K1322 V1323 | N1268-R1325 PolarHBondContact OD1-NE 3.48Å; K1322-R1325 HydrophobicContact CB-CB 4.48Å; K1322-R1325 WeakPolarHBondContact O-CB 3.02Å; K1322-R1325 PolarHBondContact O-N 3.37Å; V1323-R1325 PolarHBondContact O-N 2.78Å; V1323-R1325 VanDerWaalsContact O-N 3.07Å |
| 1326 | Y | 89.4 | Confident | 78.6 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -99.1 | -3.9 | -174.5 | -58.1 | -84 | 0 | 0 | 0 | 113.3 | D1184 I1186 T1321 K1322 V1323 S1324 N1328 W1329 M1330 | D1184-Y1326 VanDerWaalsContact CA-OH 3.23Å; D1184-Y1326 WeakPolarHBondContact CA-OH 3.36Å; D1184-Y1326 HydrophobicContact CB-CE1 3.82Å; D1184-Y1326 PolarHBondContact OD1-OH 2.75Å; I1186-Y1326 HydrophobicContact CD1-CD2 4.05Å; I1186-Y1326 HydrophobicContact CD1-CG 4.01Å; I1186-Y1326 HydrophobicContact CG2-CD1 3.76Å; I1186-Y1326 HydrophobicContact CG2-CD2 4.34Å; I1186-Y1326 HydrophobicContact CG2-CE1 3.85Å; I1186-Y1326 HydrophobicContact CG2-CE2 4.44Å; I1186-Y1326 HydrophobicContact CG2-CG 4.03Å; T1321-Y1326 HydrophobicContact CG2-CD2 4.02Å; T1321-Y1326 HydrophobicContact CG2-CE2 3.27Å; K1322-Y1326 WeakPolarHBondContact O-CD2 3.02Å; K1322-Y1326 VanDerWaalsContact O-CE2 3.31Å; K1322-Y1326 WeakPolarHBondContact O-CE2 3.41Å; V1323-Y1326 PolarHBondContact O-N 3.29Å; S1324-Y1326 VanDerWaalsContact C-N 3.31Å; S1324-Y1326 PolarHBondContact O-N 2.93Å; Y1326-N1328 PolarHBondContact O-N 2.82Å; Y1326-W1329 CarbonylContact O-C 3.6Å; Y1326-W1329 WeakPolarHBondContact O-CA 3.36Å; Y1326-W1329 WeakPolarHBondContact O-CB 3.43Å; Y1326-W1329 PolarHBondContact O-N 2.9Å; Y1326-M1330 VanDerWaalsContact O-CG 3.3Å; Y1326-M1330 WeakPolarHBondContact O-CG 3.41Å; Y1326-M1330 PolarHBondContact O-N 3.11Å |
| 1327 | L | 87.3 | Confident | 78.5 | Confident | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -35.4 | 179.6 | -66.7 | 174.5 | 0 | 0 | 0 | 112.8 | W1092 L1206 P1207 V1209 V1323 M1330 R1331 | W1092-L1327 HydrophobicContact CZ3-CD2 4.46Å; L1206-L1327 HydrophobicContact CB-CD2 4.26Å; L1206-L1327 HydrophobicContact CD1-CD2 4.27Å; P1207-L1327 HydrophobicContact CG-CD1 4.4Å; P1207-L1327 WeakPolarHBondContact O-CD1 3.43Å; V1209-L1327 HydrophobicContact CG2-CB 4.06Å; V1209-L1327 HydrophobicContact CG2-CD1 4.06Å; V1323-L1327 HydrophobicContact CG1-CD2 4.35Å; V1323-L1327 PolarHBondContact O-N 3.46Å; L1327-M1330 HydrophobicContact CD2-SD 4.19Å; L1327-R1331 VanDerWaalsContact O-CB 3.32Å; L1327-R1331 WeakPolarHBondContact O-CB 3.46Å; L1327-R1331 VanDerWaalsContact O-CG 3.23Å; L1327-R1331 WeakPolarHBondContact O-CG 3.3Å; L1327-R1331 PolarHBondContact O-N 3.45Å |
| 1328 | N | 84.5 | Confident | 77.5 | Confident | 97 Ų | 97 | 42.7 Ų | 42.7 | 52% | 0.519 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70 | -38.7 | 174.8 | -73.6 | -22.2 | 0 | 0 | 0 | 112.6 | Y1326 R1331 K1332 | Y1326-N1328 PolarHBondContact O-N 2.82Å; N1328-R1331 PolarHBondContact O-N 3.06Å; N1328-K1332 PolarHBondContact O-N 2.89Å; N1328-K1332 VanDerWaalsContact O-N 3.1Å |
| 1329 | W | 84.7 | Confident | 75.9 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 24% | 0.239 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 172.8 | 166.1 | 81 | 0 | 0 | 0 | 110.6 | I1173 I1186 I1188 Y1326 R1331 K1332 V1333 | I1173-W1329 HydrophobicContact CG2-CH2 4.45Å; I1173-W1329 HydrophobicContact CG2-CZ2 3.93Å; I1186-W1329 HydrophobicContact CD1-CZ3 4.38Å; I1186-W1329 HydrophobicContact CG1-CZ3 4.4Å; I1186-W1329 HydrophobicContact CG2-CZ3 4.4Å; I1188-W1329 HydrophobicContact CD1-CE3 4.35Å; I1188-W1329 HydrophobicContact CD1-CH2 3.53Å; I1188-W1329 HydrophobicContact CD1-CZ2 4.35Å; I1188-W1329 HydrophobicContact CD1-CZ3 3.53Å; I1188-W1329 HydrophobicContact CG1-CH2 3.77Å; I1188-W1329 HydrophobicContact CG1-CZ3 3.85Å; Y1326-W1329 CarbonylContact O-C 3.6Å; Y1326-W1329 WeakPolarHBondContact O-CA 3.36Å; Y1326-W1329 WeakPolarHBondContact O-CB 3.43Å; Y1326-W1329 PolarHBondContact O-N 2.9Å; W1329-R1331 PolarHBondContact O-N 3.13Å; W1329-K1332 CarbonylContact O-C 3.57Å; W1329-K1332 WeakPolarHBondContact O-CA 3.1Å; W1329-K1332 WeakPolarHBondContact O-CB 3.33Å; W1329-K1332 PolarHBondContact O-N 3.49Å; W1329-V1333 HydrophobicContact CD2-CG2 4.43Å; W1329-V1333 HydrophobicContact CG-CG2 4.33Å; W1329-V1333 WeakPolarHBondContact O-CB 3.47Å; W1329-V1333 WeakPolarHBondContact O-CG2 3.45Å; W1329-V1333 PolarHBondContact O-N 3.18Å |
| 1330 | M | 84.4 | Confident | 74 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 174.8 | -65.8 | 174.6 | 72.9 | 0 | 0 | 111.7 | I1090 W1092 L1102 I1188 L1206 Y1326 L1327 K1332 V1333 I1334 | I1090-M1330 HydrophobicContact CD1-CE 3.56Å; W1092-M1330 HydrophobicContact CE3-CB 4.47Å; W1092-M1330 HydrophobicContact CE3-CE 3.63Å; W1092-M1330 VanDerWaalsContact CH2-C 3.49Å; W1092-M1330 HydrophobicContact CH2-CB 3.36Å; W1092-M1330 HydrophobicContact CH2-CE 4.5Å; W1092-M1330 HydrophobicContact CZ2-CB 4.33Å; W1092-M1330 HydrophobicContact CZ3-CB 3.46Å; W1092-M1330 VanDerWaalsContact CZ3-CB 3.46Å; W1092-M1330 HydrophobicContact CZ3-CE 3.45Å; W1092-M1330 VanDerWaalsContact CZ3-CE 3.45Å; W1092-M1330 HydrophobicContact CZ3-CG 4.31Å; W1092-M1330 HydrophobicContact CZ3-SD 4.03Å; L1102-M1330 HydrophobicContact CD1-CE 3.8Å; L1102-M1330 HydrophobicContact CD1-SD 4.22Å; L1102-M1330 HydrophobicContact CD2-CE 3.99Å; L1102-M1330 HydrophobicContact CD2-SD 4.49Å; L1102-M1330 HydrophobicContact CG-CE 4.2Å; I1188-M1330 HydrophobicContact CD1-CG 4.19Å; L1206-M1330 HydrophobicContact CD1-CE 4.21Å; Y1326-M1330 VanDerWaalsContact O-CG 3.3Å; Y1326-M1330 WeakPolarHBondContact O-CG 3.41Å; Y1326-M1330 PolarHBondContact O-N 3.11Å; L1327-M1330 HydrophobicContact CD2-SD 4.19Å; M1330-K1332 PolarHBondContact O-N 3Å; M1330-V1333 PolarHBondContact O-N 2.89Å; M1330-I1334 HydrophobicContact CB-CD1 3.81Å; M1330-I1334 HydrophobicContact CB-CG1 4.41Å; M1330-I1334 HydrophobicContact CE-CD1 3.76Å; M1330-I1334 HydrophobicContact CG-CD1 4.39Å; M1330-I1334 VanDerWaalsContact O-CB 3.26Å; M1330-I1334 WeakPolarHBondContact O-CB 3.4Å; M1330-I1334 WeakPolarHBondContact O-CG1 2.96Å; M1330-I1334 PolarHBondContact O-N 3.11Å |
| 1331 | R | 79.7 | Confident | 72 | Confident | 161 Ų | 161 | 50.2 Ų | 50.2 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.1 | -28.1 | 174.8 | -78.9 | 179.4 | -175.8 | -149.3 | 1.8 | 113.1 | W1092 L1327 N1328 W1329 P1335 | W1092-R1331 HydrophobicContact CH2-CB 4.32Å; W1092-R1331 HydrophobicContact CH2-CG 3.65Å; W1092-R1331 HydrophobicContact CZ2-CB 4.31Å; W1092-R1331 HydrophobicContact CZ2-CG 3.74Å; L1327-R1331 VanDerWaalsContact O-CB 3.32Å; L1327-R1331 WeakPolarHBondContact O-CB 3.46Å; L1327-R1331 VanDerWaalsContact O-CG 3.23Å; L1327-R1331 WeakPolarHBondContact O-CG 3.3Å; L1327-R1331 PolarHBondContact O-N 3.45Å; N1328-R1331 PolarHBondContact O-N 3.06Å; W1329-R1331 PolarHBondContact O-N 3.13Å; R1331-P1335 WeakPolarHBondContact O-CD 3.34Å; R1331-P1335 VanDerWaalsContact O-CG 3.25Å; R1331-P1335 WeakPolarHBondContact O-CG 3.07Å |
| 1332 | K | 74.3 | Confident | 70.4 | Confident | 166 Ų | 166 | 53.6 Ų | 53.6 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -82.1 | -41.3 | 174.7 | -167.9 | 178.3 | -179.5 | -176.5 | 0 | 111.9 | N1328 W1329 M1330 T1336 | N1328-K1332 PolarHBondContact O-N 2.89Å; N1328-K1332 VanDerWaalsContact O-N 3.1Å; W1329-K1332 CarbonylContact O-C 3.57Å; W1329-K1332 WeakPolarHBondContact O-CA 3.1Å; W1329-K1332 WeakPolarHBondContact O-CB 3.33Å; W1329-K1332 PolarHBondContact O-N 3.49Å; M1330-K1332 PolarHBondContact O-N 3Å; K1332-T1336 WeakPolarHBondContact O-CG2 3.22Å |
| 1333 | V | 69.6 | Low | 69.4 | Low | 23 Ų | 23 | 53.4 Ų | 53.4 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -88.8 | -42 | -170.9 | 175.9 | 0 | 0 | 0 | 0 | 112.7 | I1173 W1329 M1330 T1336 I1337 | I1173-V1333 HydrophobicContact CD1-CG1 4.2Å; I1173-V1333 HydrophobicContact CG2-CG1 3.73Å; W1329-V1333 HydrophobicContact CD2-CG2 4.43Å; W1329-V1333 HydrophobicContact CG-CG2 4.33Å; W1329-V1333 WeakPolarHBondContact O-CB 3.47Å; W1329-V1333 WeakPolarHBondContact O-CG2 3.45Å; W1329-V1333 PolarHBondContact O-N 3.18Å; M1330-V1333 PolarHBondContact O-N 2.89Å; V1333-T1336 WeakPolarHBondContact CA-OG1 3.38Å; V1333-T1336 CarbonylContact O-C 3.57Å; V1333-T1336 WeakPolarHBondContact O-CA 3.39Å; V1333-T1336 WeakPolarHBondContact O-CB 3.44Å; V1333-T1336 PolarHBondContact O-N 3.44Å; V1333-T1336 PolarHBondContact O-OG1 3.28Å; V1333-I1337 HydrophobicContact CG1-CD1 4.32Å; V1333-I1337 HydrophobicContact CG1-CG1 4.31Å; V1333-I1337 WeakPolarHBondContact O-CG1 3.31Å; V1333-I1337 PolarHBondContact O-N 3.1Å; V1333-I1337 VanDerWaalsContact O-N 3.15Å |
| 1334 | I | 72.5 | Confident | 68.5 | Low | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -60.2 | -43.2 | -176.1 | -68.6 | 170.7 | 0 | 0 | 0 | 113.5 | W1092 L1100 I1188 M1330 T1336 I1337 V1338 | W1092-I1334 HydrophobicContact CD2-CD1 3.32Å; W1092-I1334 HydrophobicContact CD2-CG2 4.3Å; W1092-I1334 HydrophobicContact CE3-CD1 3.36Å; W1092-I1334 HydrophobicContact CG-CD1 3.96Å; W1092-I1334 HydrophobicContact CG-CG2 4.14Å; W1092-I1334 HydrophobicContact CH2-CD1 3.86Å; W1092-I1334 HydrophobicContact CZ2-CB 4.24Å; W1092-I1334 HydrophobicContact CZ2-CD1 3.81Å; W1092-I1334 HydrophobicContact CZ3-CD1 3.65Å; L1100-I1334 HydrophobicContact CD1-CD1 4.01Å; L1100-I1334 HydrophobicContact CD1-CG1 4.29Å; L1100-I1334 HydrophobicContact CD1-CG2 3.65Å; I1188-I1334 HydrophobicContact CD1-CD1 4.27Å; I1188-I1334 HydrophobicContact CD1-CG1 3.93Å; M1330-I1334 HydrophobicContact CB-CD1 3.81Å; M1330-I1334 HydrophobicContact CB-CG1 4.41Å; M1330-I1334 HydrophobicContact CE-CD1 3.76Å; M1330-I1334 HydrophobicContact CG-CD1 4.39Å; M1330-I1334 VanDerWaalsContact O-CB 3.26Å; M1330-I1334 WeakPolarHBondContact O-CB 3.4Å; M1330-I1334 WeakPolarHBondContact O-CG1 2.96Å; M1330-I1334 PolarHBondContact O-N 3.11Å; I1334-T1336 PolarHBondContact O-N 3.19Å; I1334-I1337 HydrophobicContact CG1-CD1 4.21Å; I1334-I1337 PolarHBondContact O-N 2.55Å; I1334-V1338 HydrophobicContact CG2-CG2 4.09Å; I1334-V1338 PolarHBondContact O-N 2.71Å |
| 1335 | P | 59.5 | Low | 67.8 | Low | 67 Ų | 67 | 59.3 Ų | 59.3 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.5 | -31.6 | 171.4 | -23.7 | 35.2 | 0 | 0 | 0 | 111.8 | R1331 I1337 N1339 | R1331-P1335 WeakPolarHBondContact O-CD 3.34Å; R1331-P1335 VanDerWaalsContact O-CG 3.25Å; R1331-P1335 WeakPolarHBondContact O-CG 3.07Å; P1335-I1337 PolarHBondContact O-N 3.4Å; P1335-N1339 WeakPolarHBondContact O-CB 3.46Å; P1335-N1339 PolarHBondContact O-N 2.85Å; P1335-N1339 VanDerWaalsContact O-N 3.12Å |
| 1336 | T | 52.1 | Low | 67.4 | Low | 52 Ų | 52 | 54.2 Ų | 54.2 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -73.2 | -8.7 | 172.4 | 69 | 0 | 0 | 0 | 0 | 113.8 | K1332 V1333 I1334 H1340 | K1332-T1336 WeakPolarHBondContact O-CG2 3.22Å; V1333-T1336 WeakPolarHBondContact CA-OG1 3.38Å; V1333-T1336 CarbonylContact O-C 3.57Å; V1333-T1336 WeakPolarHBondContact O-CA 3.39Å; V1333-T1336 WeakPolarHBondContact O-CB 3.44Å; V1333-T1336 PolarHBondContact O-N 3.44Å; V1333-T1336 PolarHBondContact O-OG1 3.28Å; I1334-T1336 PolarHBondContact O-N 3.19Å; T1336-H1340 VanDerWaalsContact CA-CD2 3.47Å; T1336-H1340 WeakPolarHBondContact CA-CD2 3.46Å; T1336-H1340 WeakPolarHBondContact O-CA 3.32Å; T1336-H1340 WeakPolarHBondContact O-CB 3.26Å; T1336-H1340 PolarHBondContact O-CD2 3.44Å; T1336-H1340 PolarHBondContact O-N 3.36Å |
| 1337 | I | 54.5 | Low | 66.7 | Low | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.046 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -98.4 | -44.5 | 174.2 | -43.4 | 169.1 | 0 | 0 | 0 | 110.5 | H1171 I1173 I1188 K1190 V1333 I1334 P1335 N1339 H1340 | H1171-I1337 HydrophobicContact CB-CG2 4.37Å; I1173-I1337 HydrophobicContact CD1-CB 4.36Å; I1173-I1337 HydrophobicContact CD1-CD1 3.14Å; I1173-I1337 HydrophobicContact CD1-CG1 3.25Å; I1173-I1337 HydrophobicContact CD1-CG2 4.24Å; I1188-I1337 HydrophobicContact CG2-CD1 3.97Å; K1190-I1337 HydrophobicContact CB-CG2 3.88Å; K1190-I1337 HydrophobicContact CD-CG2 3.98Å; K1190-I1337 HydrophobicContact CG-CG2 3.84Å; V1333-I1337 HydrophobicContact CG1-CD1 4.32Å; V1333-I1337 HydrophobicContact CG1-CG1 4.31Å; V1333-I1337 WeakPolarHBondContact O-CG1 3.31Å; V1333-I1337 PolarHBondContact O-N 3.1Å; V1333-I1337 VanDerWaalsContact O-N 3.15Å; I1334-I1337 HydrophobicContact CG1-CD1 4.21Å; I1334-I1337 PolarHBondContact O-N 2.55Å; P1335-I1337 PolarHBondContact O-N 3.4Å; I1337-N1339 VanDerWaalsContact C-N 3.28Å; I1337-N1339 PolarHBondContact O-N 3.02Å; I1337-H1340 CarbonylContact O-C 3.54Å; I1337-H1340 PolarHBondContact O-N 2.62Å; I1337-H1340 VanDerWaalsContact O-N 3.08Å |
| 1338 | V | 48.5 | Very low | 66.3 | Low | 61 Ų | 61 | 62.7 Ų | 62.7 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.2 | -35.7 | -177.9 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | E972 I1334 | E972-V1338 VanDerWaalsContact OE1-CG1 3.26Å; E972-V1338 WeakPolarHBondContact OE1-CG1 3.48Å; I1334-V1338 HydrophobicContact CG2-CG2 4.09Å; I1334-V1338 PolarHBondContact O-N 2.71Å |
| 1339 | N | 40.1 | Very low | 65.9 | Low | 96 Ų | 96 | 63.1 Ų | 63.1 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -83 | -31.7 | 164.8 | -83.9 | -30.6 | 0 | 0 | 0 | 112.5 | P1335 I1337 A1341 I1342 | P1335-N1339 WeakPolarHBondContact O-CB 3.46Å; P1335-N1339 PolarHBondContact O-N 2.85Å; P1335-N1339 VanDerWaalsContact O-N 3.12Å; I1337-N1339 VanDerWaalsContact C-N 3.28Å; I1337-N1339 PolarHBondContact O-N 3.02Å; N1339-A1341 PolarHBondContact O-N 2.92Å; N1339-I1342 VanDerWaalsContact C-CG1 3.45Å; N1339-I1342 HydrophobicContact CB-CD1 3.93Å; N1339-I1342 HydrophobicContact CB-CG1 4.32Å; N1339-I1342 WeakPolarHBondContact O-CG1 3.24Å |
| 1340 | H | 39.2 | Very low | 65.3 | Low | 39 Ų | 39 | 61 Ų | 61 | 18% | 0.181 | 31% | 0.311 | C | S | . | . | trans | -97.7 | 87.3 | -174.9 | -49.1 | -107 | 0 | 0 | 0 | 118.3 | H1171 T1336 I1337 I1342 K1345 | H1171-H1340 PolarHBondContact NE2-O 2.9Å; T1336-H1340 VanDerWaalsContact CA-CD2 3.47Å; T1336-H1340 WeakPolarHBondContact CA-CD2 3.46Å; T1336-H1340 WeakPolarHBondContact O-CA 3.32Å; T1336-H1340 WeakPolarHBondContact O-CB 3.26Å; T1336-H1340 PolarHBondContact O-CD2 3.44Å; T1336-H1340 PolarHBondContact O-N 3.36Å; I1337-H1340 CarbonylContact O-C 3.54Å; I1337-H1340 PolarHBondContact O-N 2.62Å; I1337-H1340 VanDerWaalsContact O-N 3.08Å; H1340-I1342 VanDerWaalsContact C-N 3.28Å; H1340-I1342 HydrophobicContact CB-CB 4.41Å; H1340-I1342 HydrophobicContact CB-CG1 4.06Å; H1340-I1342 WeakPolarHBondContact CE1-CD1 3.31Å; H1340-I1342 VanDerWaalsContact CE1-CG1 3.46Å; H1340-I1342 WeakPolarHBondContact CE1-CG1 3.24Å; H1340-I1342 WeakPolarHBondContact ND1-CB 3.46Å; H1340-I1342 VanDerWaalsContact ND1-CG1 3.31Å; H1340-I1342 WeakPolarHBondContact ND1-CG1 2.98Å; H1340-I1342 WeakPolarHBondContact NE2-CD1 3.49Å; H1340-K1345 WeakPolarHBondContact CE1-CD 3.46Å; H1340-K1345 WeakPolarHBondContact ND1-CD 3.29Å; H1340-K1345 WeakPolarHBondContact NE2-CD 3.48Å; H1340-K1345 PolarHBondContact NE2-NZ 3.04Å; H1340-K1345 VanDerWaalsContact NE2-NZ 3.14Å | ||
| 1341 | A | 43.9 | Very low | 64.4 | Low | 30 Ų | 30 | 64.5 Ų | 64.5 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | S | Bend | -104.2 | 40.6 | 110.1 | 0 | 0 | 0 | 0 | 0 | 109 | N1339 C1343 G1397 | N1339-A1341 PolarHBondContact O-N 2.92Å; A1341-C1343 PolarHBondContact O-N 2.86Å; A1341-G1397 WeakPolarHBondContact CB-O 3.44Å; A1341-G1397 CarbonylContact O-C 3.5Å; A1341-G1397 VanDerWaalsContact O-C 3.3Å; A1341-G1397 WeakPolarHBondContact O-CA 3.18Å | |
| 1342 | I | 54.8 | Low | 63.2 | Low | 73 Ų | 73 | 59.4 Ų | 59.4 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | trans | -70 | 107.4 | 175.7 | -38.9 | -175.1 | 0 | 0 | 0 | 103.1 | N1339 H1340 | N1339-I1342 VanDerWaalsContact C-CG1 3.45Å; N1339-I1342 HydrophobicContact CB-CD1 3.93Å; N1339-I1342 HydrophobicContact CB-CG1 4.32Å; N1339-I1342 WeakPolarHBondContact O-CG1 3.24Å; H1340-I1342 VanDerWaalsContact C-N 3.28Å; H1340-I1342 HydrophobicContact CB-CB 4.41Å; H1340-I1342 HydrophobicContact CB-CG1 4.06Å; H1340-I1342 WeakPolarHBondContact CE1-CD1 3.31Å; H1340-I1342 VanDerWaalsContact CE1-CG1 3.46Å; H1340-I1342 WeakPolarHBondContact CE1-CG1 3.24Å; H1340-I1342 WeakPolarHBondContact ND1-CB 3.46Å; H1340-I1342 VanDerWaalsContact ND1-CG1 3.31Å; H1340-I1342 WeakPolarHBondContact ND1-CG1 2.98Å; H1340-I1342 WeakPolarHBondContact NE2-CD1 3.49Å | ||
| 1343 | C | 70.5 | Confident | 61.8 | Low | 14 Ų | 14 | 59.7 Ų | 59.7 | 10% | 0.095 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -38.7 | 152.6 | 152.5 | 46.5 | 0 | 0 | 0 | 0 | 112 | A1341 K1345 D1394 G1483 C1485 | A1341-C1343 PolarHBondContact O-N 2.86Å; C1343-K1345 PolarHBondContact O-N 3.45Å; C1343-D1394 HydrophobicContact CB-CB 3.55Å; C1343-G1483 CarbonylContact C-O 3.59Å; C1343-G1483 WeakPolarHBondContact CA-O 3.35Å; C1343-G1483 WeakPolarHBondContact CB-O 3.2Å; C1343-C1485 VanDerWaalsContact CA-SG 3.52Å; C1343-C1485 HydrophobicContact CB-CB 3.94Å; C1343-C1485 WeakPolarHBondContact CB-SG 3.33Å; C1343-C1485 PolarHBondContact O-SG 3.03Å; C1343-C1485 WeakPolarHBondContact SG-CA 3.06Å; C1343-C1485 WeakPolarHBondContact SG-CB 3.23Å; C1343-C1485 CovalentContact SG-SG 2.03Å; C1343-C1485 PolarHBondContact SG-SG 3.21Å |
| 1344 | G | 72.6 | Confident | 60.6 | Low | 35 Ų | 35 | 66.5 Ų | 66.5 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 11.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | W1373 G1483 | G1344-W1373 VanDerWaalsContact C-CZ3 3.49Å; G1344-G1483 PolarHBondContact N-O 2.64Å |
| 1345 | K | 74 | Confident | 58.8 | Low | 97 Ų | 97 | 76.1 Ų | 76.1 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | trans | -117.9 | 109.4 | 167.6 | -170.1 | 177.7 | 178.7 | 180 | 0 | 112.4 | H1340 C1343 Q1482 | H1340-K1345 WeakPolarHBondContact CE1-CD 3.46Å; H1340-K1345 WeakPolarHBondContact ND1-CD 3.29Å; H1340-K1345 WeakPolarHBondContact NE2-CD 3.48Å; H1340-K1345 PolarHBondContact NE2-NZ 3.04Å; H1340-K1345 VanDerWaalsContact NE2-NZ 3.14Å; C1343-K1345 PolarHBondContact O-N 3.45Å; K1345-Q1482 PolarHBondContact O-OE1 3.01Å | ||
| 1346 | P | 79.8 | Confident | 57.6 | Low | 32 Ų | 32 | 83.5 Ų | 83.5 | 21% | 0.208 | 42% | 0.417 | C | S | . | . | trans | -79 | 153.1 | -173.2 | 33.6 | -31.4 | 0 | 0 | 0 | 112.3 | S1370 P1372 W1373 | P1346-S1370 WeakPolarHBondContact CB-O 3.28Å; P1346-P1372 HydrophobicContact CB-CG 3.86Å; P1346-W1373 HydrophobicContact CB-CH2 4.04Å; P1346-W1373 HydrophobicContact CB-CZ3 4.13Å; P1346-W1373 HydrophobicContact CG-CH2 4Å; P1346-W1373 HydrophobicContact CG-CZ3 4.48Å | ||
| 1347 | Y | 73.3 | Confident | 56.7 | Low | 140 Ų | 140 | 88.5 Ų | 88.5 | 55% | 0.549 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -71.1 | -39 | 173.5 | -173.2 | -92 | 0 | 0 | 0 | 112.1 | K1479 | Y1347-K1479 HydrophobicContact CD1-CB 4.38Å; Y1347-K1479 HydrophobicContact CD1-CG 4.47Å; Y1347-K1479 HydrophobicContact CD2-CG 4.34Å; Y1347-K1479 HydrophobicContact CE1-CD 4.19Å; Y1347-K1479 HydrophobicContact CE2-CD 4.48Å; Y1347-K1479 HydrophobicContact CE2-CG 4.45Å; Y1347-K1479 HydrophobicContact CG-CB 4.36Å; Y1347-K1479 HydrophobicContact CG-CG 4.35Å |
| 1348 | F | 80.2 | Confident | 55.7 | Low | 61 Ų | 61 | 95.5 Ų | 95.5 | 27% | 0.268 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -98 | 124.5 | 175.5 | -54.8 | -82.9 | 0 | 0 | 0 | 109.3 | H1369 S1370 K1479 Y1480 | F1348-H1369 HydrophobicContact CD2-CB 3.72Å; F1348-H1369 WeakPolarHBondContact CD2-O 3.06Å; F1348-H1369 HydrophobicContact CE2-CB 3.85Å; F1348-S1370 WeakPolarHBondContact O-CA 3.43Å; F1348-S1370 WeakPolarHBondContact O-CB 3.39Å; F1348-K1479 HydrophobicContact CE2-CB 4.4Å; F1348-K1479 WeakPolarHBondContact CE2-O 3.46Å; F1348-Y1480 AromaticContact CE2-CD1 3.9Å; F1348-Y1480 HydrophobicContact CE2-CD1 3.9Å; F1348-Y1480 AromaticContact CE2-CE1 3.94Å; F1348-Y1480 HydrophobicContact CE2-CE1 3.94Å; F1348-Y1480 HydrophobicContact CZ-CD1 4.4Å; F1348-Y1480 AromaticContact CZ-CE1 3.97Å; F1348-Y1480 HydrophobicContact CZ-CE1 3.97Å |
| 1349 | D | 75.9 | Confident | 54.9 | Low | 105 Ų | 105 | 103.8 Ų | 103.8 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | trans | -66.5 | 127.6 | 179.9 | -168.5 | -26.6 | 0 | 0 | 0 | 110 | I1351 | D1349-I1351 PolarHBondContact O-N 3.38Å; D1349-I1351 VanDerWaalsContact O-N 3.16Å; D1349-I1351 WeakPolarHBondContact OD1-CG1 3.45Å; D1349-I1351 PolarHBondContact OD1-N 2.8Å | ||
| 1350 | P | 71.7 | Confident | 54.7 | Low | 18 Ų | 18 | 105.6 Ų | 105.6 | 12% | 0.117 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -66.6 | -9.1 | 177.9 | 25.2 | -33.5 | 0 | 0 | 0 | 114 | P1352 F1501 Q1519 | P1350-P1352 WeakPolarHBondContact O-CD 3.49Å; P1350-F1501 HydrophobicContact CG-CE2 4.49Å; P1350-Q1519 PolarHBondContact O-NE2 3.36Å |
| 1351 | I | 65.7 | Low | 54.6 | Low | 74 Ų | 74 | 108.7 Ų | 108.7 | 38% | 0.379 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -90.2 | 117.3 | 179.2 | -53.5 | 171.9 | 0 | 0 | 0 | 111 | D1349 L1353 | D1349-I1351 PolarHBondContact O-N 3.38Å; D1349-I1351 VanDerWaalsContact O-N 3.16Å; D1349-I1351 WeakPolarHBondContact OD1-CG1 3.45Å; D1349-I1351 PolarHBondContact OD1-N 2.8Å; I1351-L1353 PolarHBondContact O-N 3.45Å |
| 1352 | P | 55.1 | Low | 55 | Low | 54 Ų | 54 | 113.8 Ų | 113.8 | 35% | 0.351 | 55% | 0.552 | S | S | . | * | trans | -64.4 | 126.9 | 173.5 | -18.3 | 30.7 | 0 | 0 | 0 | 111.5 | P1350 H1354 F1364 V1367 | P1350-P1352 WeakPolarHBondContact O-CD 3.49Å; P1352-H1354 PolarHBondContact O-N 2.67Å; P1352-F1364 HydrophobicContact CG-CE2 3.86Å; P1352-V1367 HydrophobicContact CB-CG2 4.48Å; P1352-V1367 HydrophobicContact CG-CG2 4.06Å | ||
| 1353 | L | 45.4 | Very low | 55.2 | Low | 172 Ų | 172 | 111 Ų | 111 | 90% | 0.901 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -63.6 | -7.6 | 179.2 | -86 | 161.9 | 0 | 0 | 0 | 114.5 | I1351 | I1351-L1353 PolarHBondContact O-N 3.45Š|
| 1354 | H | 43.1 | Very low | 55.4 | Low | 166 Ų | 166 | 114.6 Ų | 114.6 | 77% | 0.769 | 56% | 0.555 | S | S | * | * | trans | -116.7 | 86.3 | 176.9 | -74.7 | -52.4 | 0 | 0 | 0 | 112.1 | P1352 R1356 | P1352-H1354 PolarHBondContact O-N 2.67Å; H1354-R1356 PolarHBondContact O-N 3.03Å | ||
| 1355 | K | 35.7 | Very low | 55.8 | Low | 204 Ų | 204 | 117.4 Ų | 117.4 | 89% | 0.887 | 56% | 0.559 | S | S | * | * | trans | -61.3 | 78.2 | 154.3 | -80.5 | -176.4 | 172.7 | -178.9 | 0 | 109.9 | ||||
| 1356 | R | 33.4 | Very low | 56.4 | Low | 222 Ų | 222 | 112.8 Ų | 112.8 | 84% | 0.838 | 54% | 0.539 | S | S | * | . | trans | -139 | 93 | 162.8 | -79 | -169.1 | 176.4 | -179.5 | -1.1 | 109.6 | H1354 | H1354-R1356 PolarHBondContact O-N 3.03Š| ||
| 1357 | N | 33.2 | Very low | 56.7 | Low | 157 Ų | 157 | 113.3 Ų | 113.3 | 84% | 0.84 | 54% | 0.541 | S | S | * | . | trans | 68.9 | 54 | 136.6 | -141.9 | 23.2 | 0 | 0 | 0 | 117 | ||||
| 1358 | N | 33.1 | Very low | 57.4 | Low | 155 Ų | 155 | 109.4 Ų | 109.4 | 83% | 0.829 | 53% | 0.533 | S | S | * | . | trans | -118.7 | 114.4 | 158.9 | -81.7 | -15 | 0 | 0 | 0 | 110.5 | I1360 | N1358-I1360 PolarHBondContact O-N 2.84Š| ||
| 1359 | R | 32.3 | Very low | 57.7 | Low | 236 Ų | 236 | 108.1 Ų | 108.1 | 89% | 0.891 | 53% | 0.528 | S | S | * | . | trans | -89.8 | 78.4 | -179.4 | -179.1 | -166.8 | -161.9 | 176.6 | 4.7 | 107.4 | ||||
| 1360 | I | 36.4 | Very low | 58.4 | Low | 134 Ų | 134 | 103.1 Ų | 103.1 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | trans | -144.4 | 123.8 | 177.6 | -55.7 | -176.1 | 0 | 0 | 0 | 111.2 | N1358 | N1358-I1360 PolarHBondContact O-N 2.84Š| ||
| 1361 | V | 36.7 | Very low | 59.4 | Low | 104 Ų | 104 | 102.8 Ų | 102.8 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -88.9 | 138 | 163.1 | -143.1 | 0 | 0 | 0 | 0 | 105.7 | ||
| 1362 | H | 52.4 | Low | 60.6 | Low | 137 Ų | 137 | 99.4 Ų | 99.4 | 63% | 0.634 | 48% | 0.481 | S | S | * | . | S | Bend | cis | -137.4 | 31.5 | 27 | -79.1 | -99.8 | 0 | 0 | 0 | 113.4 | ||
| 1363 | G | 58.6 | Low | 62.5 | Low | 14 Ų | 14 | 98 Ų | 98 | 14% | 0.144 | 47% | 0.469 | C | S | . | . | trans | 170.4 | 152.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108 | Q1519 | G1363-Q1519 WeakPolarHBondContact CA-O 3.26Š| ||
| 1364 | F | 74.3 | Confident | 64.9 | Low | 90 Ų | 90 | 90.3 Ų | 90.3 | 40% | 0.395 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.7 | 168.6 | 57.6 | -84.2 | 0 | 0 | 0 | 108.8 | P1352 A1366 Q1518 Q1519 | P1352-F1364 HydrophobicContact CG-CE2 3.86Å; F1364-A1366 PolarHBondContact O-N 3.39Å; F1364-A1366 VanDerWaalsContact O-N 3.1Å; F1364-Q1518 CarbonylContact O-C 3.49Å; F1364-Q1518 WeakPolarHBondContact O-CA 3.47Å; F1364-Q1518 PolarHBondContact O-OE1 2.97Å; F1364-Q1519 HydrophobicContact CD2-CG 4.08Å; F1364-Q1519 HydrophobicContact CE1-CG 4.25Å; F1364-Q1519 HydrophobicContact CE2-CG 3.77Å; F1364-Q1519 HydrophobicContact CG-CG 4.48Å; F1364-Q1519 HydrophobicContact CZ-CG 3.86Å; F1364-Q1519 PolarHBondContact N-O 3.34Å; F1364-Q1519 PolarHBondContact O-N 3.46Å |
| 1365 | E | 82.3 | Confident | 67.4 | Low | 93 Ų | 93 | 82.4 Ų | 82.4 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 122.7 | 176.5 | -167.9 | -170.4 | 160.2 | 0 | 0 | 109.1 | H1435 E1516 Q1518 | E1365-H1435 IonicContact OE1-CD2 3.99Å; E1365-H1435 IonicContact OE1-CE1 3.51Å; E1365-H1435 IonicContact OE1-NE2 3.5Å; E1365-H1435 PolarHBondContact OE1-NE2 3.34Å; E1365-E1516 HydrophobicContact CG-CB 3.88Å; E1365-E1516 HydrophobicContact CG-CG 4.37Å; E1365-Q1518 VanDerWaalsContact N-OE1 3.14Å |
| 1366 | A | 85.8 | Confident | 70.2 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 147.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F1364 P1368 H1435 L1517 Q1519 | F1364-A1366 PolarHBondContact O-N 3.39Å; F1364-A1366 VanDerWaalsContact O-N 3.1Å; A1366-P1368 WeakPolarHBondContact O-CD 3.41Å; A1366-P1368 VanDerWaalsContact O-N 3.16Å; A1366-H1435 PolarHBondContact O-CE1 3.04Å; A1366-L1517 HydrophobicContact CB-CB 4.39Å; A1366-L1517 HydrophobicContact CB-CD2 4.2Å; A1366-L1517 HydrophobicContact CB-CG 4.09Å; A1366-L1517 WeakPolarHBondContact CB-O 3.4Å; A1366-L1517 PolarHBondContact N-O 2.65Å; A1366-Q1519 HydrophobicContact CB-CB 4.08Å; A1366-Q1519 HydrophobicContact CB-CG 4.08Å |
| 1367 | V | 85.7 | Confident | 73.1 | Confident | 42 Ų | 42 | 62.1 Ų | 62.1 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 127.7 | 167 | 175.6 | 0 | 0 | 0 | 0 | 106.6 | P1352 H1369 S1370 | P1352-V1367 HydrophobicContact CB-CG2 4.48Å; P1352-V1367 HydrophobicContact CG-CG2 4.06Å; V1367-H1369 PolarHBondContact O-N 3.32Å; V1367-S1370 PolarHBondContact N-OG 3.12Å; V1367-S1370 WeakPolarHBondContact O-CB 3.44Å; V1367-S1370 PolarHBondContact O-N 3.49Å; V1367-S1370 PolarHBondContact O-OG 3.04Å |
| 1368 | P | 87.9 | Confident | 75.9 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 127.4 | -174.9 | -31 | 34 | 0 | 0 | 0 | 112.3 | A1366 S1370 H1435 | A1366-P1368 WeakPolarHBondContact O-CD 3.41Å; A1366-P1368 VanDerWaalsContact O-N 3.16Å; P1368-S1370 PolarHBondContact O-N 3.1Å; P1368-H1435 HydrophobicContact CB-CB 4.43Å |
| 1369 | H | 88 | Confident | 78.4 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 16.4 | -178.4 | -41.8 | -69.2 | 0 | 0 | 0 | 116.3 | F1348 V1367 H1371 E1441 T1443 Y1480 | F1348-H1369 HydrophobicContact CD2-CB 3.72Å; F1348-H1369 WeakPolarHBondContact CD2-O 3.06Å; F1348-H1369 HydrophobicContact CE2-CB 3.85Å; V1367-H1369 PolarHBondContact O-N 3.32Å; H1369-H1371 VanDerWaalsContact C-N 3.28Å; H1369-H1371 PolarHBondContact O-N 3.45Å; H1369-E1441 IonicContact CE1-OE2 2.95Å; H1369-T1443 PolarHBondContact CE1-OG1 2.84Å; H1369-T1443 VanDerWaalsContact CE1-OG1 3.23Å; H1369-Y1480 HydrophobicContact CB-CD1 3.92Å; H1369-Y1480 AromaticContact CD2-CD1 3.67Å; H1369-Y1480 AromaticContact CD2-CE1 3.96Å; H1369-Y1480 AromaticContact CG-CD1 3.57Å; H1369-Y1480 AromaticContact ND1-CD1 3.96Å |
| 1370 | S | 89.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -73.8 | -13.4 | 176.8 | 60.2 | 0 | 0 | 0 | 0 | 115.5 | P1346 F1348 V1367 P1368 P1372 | P1346-S1370 WeakPolarHBondContact CB-O 3.28Å; F1348-S1370 WeakPolarHBondContact O-CA 3.43Å; F1348-S1370 WeakPolarHBondContact O-CB 3.39Å; V1367-S1370 PolarHBondContact N-OG 3.12Å; V1367-S1370 WeakPolarHBondContact O-CB 3.44Å; V1367-S1370 PolarHBondContact O-N 3.49Å; V1367-S1370 PolarHBondContact O-OG 3.04Å; P1368-S1370 PolarHBondContact O-N 3.1Å; S1370-P1372 VanDerWaalsContact C-CD 3.47Å; S1370-P1372 WeakPolarHBondContact O-CD 3.48Å |
| 1371 | H | 92.1 | Very high | 82.2 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | trans | -119.2 | 73.6 | 172.2 | -63.6 | -86.3 | 0 | 0 | 0 | 110.3 | H1369 W1373 Q1374 T1503 L1517 Q1519 | H1369-H1371 VanDerWaalsContact C-N 3.28Å; H1369-H1371 PolarHBondContact O-N 3.45Å; H1371-W1373 PolarHBondContact O-N 3.15Å; H1371-W1373 VanDerWaalsContact O-N 3.14Å; H1371-Q1374 HydrophobicContact CB-CB 4.37Å; H1371-Q1374 VanDerWaalsContact O-CB 3.27Å; H1371-Q1374 WeakPolarHBondContact O-CB 3.25Å; H1371-Q1374 PolarHBondContact O-N 3.02Å; H1371-T1503 HydrophobicContact CB-CG2 4.33Å; H1371-L1517 HydrophobicContact CB-CD2 4.38Å; H1371-Q1519 PolarHBondContact CD2-OE1 2.86Å; H1371-Q1519 PolarHBondContact NE2-OE1 3.14Å | ||
| 1372 | P | 91.8 | Very high | 83.5 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -10 | -168.8 | 30.1 | -37.6 | 0 | 0 | 0 | 114.6 | P1346 S1370 Y1480 I1481 Q1482 | P1346-P1372 HydrophobicContact CB-CG 3.86Å; S1370-P1372 VanDerWaalsContact C-CD 3.47Å; S1370-P1372 WeakPolarHBondContact O-CD 3.48Å; P1372-Y1480 WeakPolarHBondContact CA-O 3.4Å; P1372-Y1480 WeakPolarHBondContact CB-O 3.16Å; P1372-I1481 WeakPolarHBondContact O-CA 3.44Å; P1372-Q1482 CarbonylContact C-O 3.55Å; P1372-Q1482 HydrophobicContact CB-CB 4.02Å; P1372-Q1482 HydrophobicContact CB-CG 4.09Å; P1372-Q1482 HydrophobicContact CG-CB 3.87Å; P1372-Q1482 HydrophobicContact CG-CG 4.1Å; P1372-Q1482 PolarHBondContact O-N 3.35Å; P1372-Q1482 VanDerWaalsContact O-N 3.08Å |
| 1373 | W | 94.2 | Very high | 83.8 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 10% | 0.095 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10.2 | 173.4 | 42.4 | 78.4 | 0 | 0 | 0 | 113.3 | G1344 P1346 H1371 A1375 S1391 L1392 Q1482 I1484 | G1344-W1373 VanDerWaalsContact C-CZ3 3.49Å; P1346-W1373 HydrophobicContact CB-CH2 4.04Å; P1346-W1373 HydrophobicContact CB-CZ3 4.13Å; P1346-W1373 HydrophobicContact CG-CH2 4Å; P1346-W1373 HydrophobicContact CG-CZ3 4.48Å; H1371-W1373 PolarHBondContact O-N 3.15Å; H1371-W1373 VanDerWaalsContact O-N 3.14Å; W1373-A1375 PolarHBondContact O-N 2.65Å; W1373-S1391 WeakPolarHBondContact O-CA 3.44Å; W1373-L1392 PolarHBondContact O-N 3.23Å; W1373-Q1482 WeakPolarHBondContact CA-O 3.23Å; W1373-Q1482 WeakPolarHBondContact CB-O 3.22Å; W1373-Q1482 PolarHBondContact N-O 3.31Å; W1373-I1484 HydrophobicContact CB-CB 4.01Å; W1373-I1484 HydrophobicContact CD2-CB 4.01Å; W1373-I1484 HydrophobicContact CD2-CD1 4.28Å; W1373-I1484 HydrophobicContact CD2-CG1 4.31Å; W1373-I1484 HydrophobicContact CE3-CB 4.39Å; W1373-I1484 HydrophobicContact CG-CB 3.83Å; W1373-I1484 HydrophobicContact CG-CD1 4.36Å; W1373-I1484 HydrophobicContact CG-CG1 4.48Å; W1373-I1484 HydrophobicContact CZ2-CD1 4.49Å |
| 1374 | Q | 95.8 | Very high | 84 | Confident | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 122.8 | -179.1 | -177.5 | 67.6 | 55.5 | 0 | 0 | 110.5 | H1371 G1390 T1503 W1505 L1517 | H1371-Q1374 HydrophobicContact CB-CB 4.37Å; H1371-Q1374 VanDerWaalsContact O-CB 3.27Å; H1371-Q1374 WeakPolarHBondContact O-CB 3.25Å; H1371-Q1374 PolarHBondContact O-N 3.02Å; Q1374-G1390 PolarHBondContact NE2-O 2.76Å; Q1374-T1503 VanDerWaalsContact OE1-CB 3.28Å; Q1374-T1503 PolarHBondContact OE1-O 3.47Å; Q1374-T1503 PolarHBondContact OE1-OG1 2.9Å; Q1374-W1505 HydrophobicContact CG-CH2 3.54Å; Q1374-W1505 HydrophobicContact CG-CZ3 3.5Å; Q1374-L1517 HydrophobicContact CB-CD2 4.28Å; Q1374-L1517 HydrophobicContact CG-CD1 3.79Å; Q1374-L1517 HydrophobicContact CG-CD2 4.12Å |
| 1375 | A | 95.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | W1373 G1390 V1404 V1430 Y1431 L1432 | W1373-A1375 PolarHBondContact O-N 2.65Å; A1375-G1390 PolarHBondContact N-O 3.02Å; A1375-G1390 PolarHBondContact O-N 3.34Å; A1375-V1404 HydrophobicContact CB-CG1 4.05Å; A1375-V1430 HydrophobicContact CB-CG1 4.01Å; A1375-Y1431 WeakPolarHBondContact CA-O 3.21Å; A1375-L1432 HydrophobicContact CB-CD2 3.67Å |
| 1376 | A | 95 | Very high | 83.7 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y1378 V1430 Y1431 L1437 W1505 | A1376-Y1378 HydrophobicContact CB-CE2 4.17Å; A1376-V1430 WeakPolarHBondContact O-CA 3.31Å; A1376-Y1431 PolarHBondContact N-O 2.73Å; A1376-Y1431 PolarHBondContact O-N 3.18Å; A1376-L1437 HydrophobicContact CB-CD1 4.04Å; A1376-L1437 HydrophobicContact CB-CD2 3.98Å; A1376-W1505 HydrophobicContact CB-CE3 4.12Å; A1376-W1505 HydrophobicContact CB-CH2 4.24Å; A1376-W1505 HydrophobicContact CB-CZ3 3.72Å |
| 1377 | I | 94.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.3 | -177.1 | -55.8 | 169.7 | 0 | 0 | 0 | 107.3 | V1379 I1387 C1388 V1404 T1406 V1428 V1430 L1469 | I1377-V1379 HydrophobicContact CG2-CG2 3.97Å; I1377-I1387 WeakPolarHBondContact O-CA 3.29Å; I1377-C1388 HydrophobicContact CB-CB 4.21Å; I1377-C1388 PolarHBondContact N-O 3.3Å; I1377-C1388 PolarHBondContact O-N 3.38Å; I1377-V1404 HydrophobicContact CD1-CG1 4.29Å; I1377-T1406 HydrophobicContact CD1-CG2 3.89Å; I1377-T1406 WeakPolarHBondContact CD1-OG1 3.45Å; I1377-V1428 HydrophobicContact CG2-CG1 3.76Å; I1377-V1430 HydrophobicContact CG1-CG2 4.4Å; I1377-L1469 HydrophobicContact CD1-CD1 3.82Å; I1377-L1469 HydrophobicContact CG1-CD1 4.28Å; I1377-L1469 HydrophobicContact CG2-CD1 4.08Å |
| 1378 | Y | 91.2 | Very high | 83.9 | Confident | 58 Ų | 58 | 43.6 Ų | 43.6 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.4 | 173.8 | -76.2 | -104.5 | 0 | 0 | 0 | 108.2 | A1376 V1385 I1387 V1428 T1429 Y1431 | A1376-Y1378 HydrophobicContact CB-CE2 4.17Å; Y1378-V1385 HydrophobicContact CD1-CG1 3.81Å; Y1378-I1387 HydrophobicContact CD1-CD1 4.36Å; Y1378-I1387 HydrophobicContact CD1-CG1 3.91Å; Y1378-I1387 HydrophobicContact CE1-CD1 3.54Å; Y1378-I1387 HydrophobicContact CE1-CG1 3.59Å; Y1378-V1428 WeakPolarHBondContact O-CA 3.47Å; Y1378-T1429 PolarHBondContact N-O 2.77Å; Y1378-T1429 PolarHBondContact O-N 2.47Å; Y1378-Y1431 AromaticContact CD2-CD2 3.57Å; Y1378-Y1431 HydrophobicContact CD2-CD2 3.57Å; Y1378-Y1431 AromaticContact CD2-CE2 3.74Å; Y1378-Y1431 HydrophobicContact CD2-CE2 3.74Å; Y1378-Y1431 AromaticContact CE2-CD2 3.61Å; Y1378-Y1431 HydrophobicContact CE2-CD2 3.61Å; Y1378-Y1431 AromaticContact CE2-CE2 3.92Å; Y1378-Y1431 HydrophobicContact CE2-CE2 3.92Å; Y1378-Y1431 HydrophobicContact CG-CE2 4.39Å |
| 1379 | V | 87.2 | Confident | 84 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 113.9 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | I1377 M1381 S1386 C1410 A1423 V1428 | I1377-V1379 HydrophobicContact CG2-CG2 3.97Å; V1379-M1381 HydrophobicContact CG1-CG 3.97Å; V1379-M1381 PolarHBondContact O-N 2.59Å; V1379-S1386 PolarHBondContact N-O 3.47Å; V1379-S1386 PolarHBondContact O-N 2.84Å; V1379-C1410 WeakPolarHBondContact CG2-O 3.45Å; V1379-A1423 HydrophobicContact CG1-CB 3.85Å; V1379-V1428 HydrophobicContact CG1-CG2 4.32Å; V1379-V1428 HydrophobicContact CG2-CG1 4.32Å; V1379-V1428 HydrophobicContact CG2-CG2 4.23Å |
| 1380 | D | 80.9 | Confident | 84.4 | Confident | 93 Ų | 93 | 41.3 Ų | 41.3 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 98.9 | 177.6 | -163.3 | 9.7 | 0 | 0 | 0 | 109.9 | N1427 | D1380-N1427 HydrophobicContact CB-CB 4.23Å; D1380-N1427 PolarHBondContact N-O 3.16Å; D1380-N1427 PolarHBondContact O-ND2 2.93Å; D1380-N1427 VanDerWaalsContact O-ND2 3.15Å |
| 1381 | M | 67.3 | Low | 84.7 | Confident | 58 Ų | 58 | 43.1 Ų | 43.1 | 29% | 0.286 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 152.6 | 174.1 | -55.8 | -170.8 | -70.9 | 0 | 0 | 109.8 | V1379 D1383 S1384 | V1379-M1381 HydrophobicContact CG1-CG 3.97Å; V1379-M1381 PolarHBondContact O-N 2.59Å; M1381-D1383 PolarHBondContact O-N 3.48Å; M1381-S1384 WeakPolarHBondContact CB-O 3.29Å; M1381-S1384 PolarHBondContact N-O 3.26Å; M1381-S1384 PolarHBondContact O-N 3Å |
| 1382 | I | 63 | Low | 84.8 | Confident | 160 Ų | 160 | 42.6 Ų | 42.6 | 82% | 0.821 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | -35.3 | -170 | -61.5 | 171.2 | 0 | 0 | 0 | 114 | ||
| 1383 | D | 59.5 | Low | 84.8 | Confident | 120 Ų | 120 | 42.9 Ų | 42.9 | 64% | 0.642 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -7.5 | -176.8 | -59.4 | -32.2 | 0 | 0 | 0 | 114.5 | M1381 K1415 | M1381-D1383 PolarHBondContact O-N 3.48Å; D1383-K1415 IonicContact OD2-NZ 3.48Å; D1383-K1415 PolarHBondContact OD2-NZ 2.88Å |
| 1384 | S | 61.9 | Low | 84.1 | Confident | 62 Ų | 62 | 41.9 Ų | 41.9 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 137.9 | -170.9 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | M1381 | M1381-S1384 WeakPolarHBondContact CB-O 3.29Å; M1381-S1384 PolarHBondContact N-O 3.26Å; M1381-S1384 PolarHBondContact O-N 3Å |
| 1385 | V | 71.5 | Confident | 82.6 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 53% | 0.527 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 117.5 | 166.4 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | Y1378 | Y1378-V1385 HydrophobicContact CD1-CG1 3.81Å |
| 1386 | S | 78.9 | Confident | 80.9 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 137.5 | 173.5 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | V1379 | V1379-S1386 PolarHBondContact N-O 3.47Å; V1379-S1386 PolarHBondContact O-N 2.84Å |
| 1387 | I | 85 | Confident | 79.1 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 40% | 0.395 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.6 | 174.8 | -58.6 | 176.1 | 0 | 0 | 0 | 108.3 | I1377 Y1378 | I1377-I1387 WeakPolarHBondContact O-CA 3.29Å; Y1378-I1387 HydrophobicContact CD1-CD1 4.36Å; Y1378-I1387 HydrophobicContact CD1-CG1 3.91Å; Y1378-I1387 HydrophobicContact CE1-CD1 3.54Å; Y1378-I1387 HydrophobicContact CE1-CG1 3.59Å |
| 1388 | C | 90.4 | Very high | 77.5 | Confident | 17 Ų | 17 | 62 Ų | 62 | 12% | 0.115 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 158.9 | 176.7 | -88 | 0 | 0 | 0 | 0 | 112.1 | I1377 C1410 | I1377-C1388 HydrophobicContact CB-CB 4.21Å; I1377-C1388 PolarHBondContact N-O 3.3Å; I1377-C1388 PolarHBondContact O-N 3.38Å; C1388-C1410 HydrophobicContact CB-CB 3.68Å; C1388-C1410 WeakPolarHBondContact CB-SG 3.37Å; C1388-C1410 WeakPolarHBondContact SG-CB 3.41Å; C1388-C1410 CovalentContact SG-SG 2.04Å; C1388-C1410 PolarHBondContact SG-SG 2.83Å |
| 1389 | G | 91.5 | Very high | 76.3 | Confident | 39 Ų | 39 | 62.1 Ų | 62.1 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 150.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1406 | G1389-T1406 PolarHBondContact O-OG1 2.82Å |
| 1390 | G | 94.9 | Very high | 75.8 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 172.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1374 A1375 L1405 | Q1374-G1390 PolarHBondContact NE2-O 2.76Å; A1375-G1390 PolarHBondContact N-O 3.02Å; A1375-G1390 PolarHBondContact O-N 3.34Å; G1390-L1405 CarbonylContact C-O 3.56Å; G1390-L1405 VanDerWaalsContact CA-O 3.3Å; G1390-L1405 WeakPolarHBondContact CA-O 3.47Å |
| 1391 | S | 95.6 | Very high | 76.1 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.5 | 174.7 | -66 | 0 | 0 | 0 | 0 | 110.7 | W1373 I1393 V1404 L1405 | W1373-S1391 WeakPolarHBondContact O-CA 3.44Å; S1391-I1393 PolarHBondContact O-N 3.14Å; S1391-V1404 CarbonylContact O-C 3.55Å; S1391-V1404 WeakPolarHBondContact O-CA 3.29Å; S1391-L1405 PolarHBondContact N-O 2.82Å; S1391-L1405 PolarHBondContact O-N 3.01Å |
| 1392 | L | 95.1 | Very high | 77.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 119.5 | 168.3 | -173.9 | 69.8 | 0 | 0 | 0 | 108.5 | W1373 V1404 L1432 L1471 V1475 Y1477 I1481 G1483 I1484 | W1373-L1392 PolarHBondContact O-N 3.23Å; L1392-V1404 HydrophobicContact CD1-CG2 4.04Å; L1392-L1432 HydrophobicContact CB-CD2 4.17Å; L1392-L1432 HydrophobicContact CD1-CD1 4.17Å; L1392-L1432 HydrophobicContact CD2-CD1 4.29Å; L1392-L1471 HydrophobicContact CD1-CD1 4.38Å; L1392-V1475 HydrophobicContact CD1-CB 4.39Å; L1392-V1475 HydrophobicContact CD1-CG2 4.14Å; L1392-V1475 HydrophobicContact CD2-CB 4.26Å; L1392-V1475 HydrophobicContact CD2-CG1 3.94Å; L1392-Y1477 HydrophobicContact CD2-CD1 4.29Å; L1392-Y1477 HydrophobicContact CD2-CE1 3.76Å; L1392-I1481 HydrophobicContact CD2-CG2 3.83Å; L1392-G1483 CarbonylContact O-C 3.56Å; L1392-G1483 VanDerWaalsContact O-CA 3.27Å; L1392-G1483 WeakPolarHBondContact O-CA 3.5Å; L1392-I1484 PolarHBondContact O-N 3.09Å |
| 1393 | I | 91.5 | Very high | 78.7 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.046 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.1 | -174.8 | 51 | 163.8 | 0 | 0 | 0 | 111.6 | S1391 S1401 L1403 L1405 I1484 L1486 | S1391-I1393 PolarHBondContact O-N 3.14Å; I1393-S1401 WeakPolarHBondContact O-CB 3.42Å; I1393-S1401 PolarHBondContact O-OG 2.98Å; I1393-L1403 HydrophobicContact CD1-CB 3.91Å; I1393-L1403 HydrophobicContact CD1-CD1 4.49Å; I1393-L1403 HydrophobicContact CG1-CB 3.69Å; I1393-L1403 VanDerWaalsContact CG1-O 3.28Å; I1393-L1403 WeakPolarHBondContact CG1-O 3.06Å; I1393-L1403 PolarHBondContact N-O 2.89Å; I1393-L1405 HydrophobicContact CD1-CB 4.4Å; I1393-L1405 HydrophobicContact CG2-CB 3.7Å; I1393-L1405 HydrophobicContact CG2-CD2 4.36Å; I1393-I1484 HydrophobicContact CG2-CG2 4.15Å; I1393-L1486 HydrophobicContact CB-CD1 4.34Å; I1393-L1486 HydrophobicContact CB-CG 4.44Å; I1393-L1486 HydrophobicContact CD1-CD1 4.06Å; I1393-L1486 HydrophobicContact CG2-CD2 4.23Å; I1393-L1486 HydrophobicContact CG2-CG 4.46Å |
| 1394 | D | 79 | Confident | 80.4 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.3 | 172.6 | -161.4 | -52.4 | 0 | 0 | 0 | 111.3 | C1343 G1397 H1398 Y1477 I1484 | C1343-D1394 HydrophobicContact CB-CB 3.55Å; D1394-G1397 WeakPolarHBondContact OD1-CA 3.45Å; D1394-G1397 PolarHBondContact OD1-N 3.12Å; D1394-H1398 VanDerWaalsContact CG-N 3.31Å; D1394-H1398 IonicContact OD1-CD2 3.46Å; D1394-H1398 PolarHBondContact OD1-N 3.12Å; D1394-H1398 WeakPolarHBondContact OD2-CA 3.45Å; D1394-H1398 PolarHBondContact OD2-N 3.08Å; D1394-H1398 VanDerWaalsContact OD2-N 3.09Å; D1394-Y1477 VanDerWaalsContact CB-OH 3.3Å; D1394-Y1477 WeakPolarHBondContact CB-OH 3.45Å; D1394-Y1477 VanDerWaalsContact CG-OH 3.25Å; D1394-Y1477 WeakPolarHBondContact OD2-CE2 3.38Å; D1394-Y1477 VanDerWaalsContact OD2-CZ 3.24Å; D1394-Y1477 PolarHBondContact OD2-OH 2.79Å; D1394-I1484 PolarHBondContact N-O 2.99Å |
| 1395 | W | 65.7 | Low | 82 | Confident | 175 Ų | 175 | 46.3 Ų | 46.3 | 66% | 0.663 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -100.7 | 96.5 | 175.1 | -168.1 | -89 | 0 | 0 | 0 | 109.7 | H1398 L1486 | W1395-H1398 PolarHBondContact O-CD2 2.73Å; W1395-H1398 PolarHBondContact O-NE2 2.85Å; W1395-H1398 VanDerWaalsContact O-NE2 3.1Å; W1395-L1486 HydrophobicContact CE3-CD1 3.44Å; W1395-L1486 VanDerWaalsContact CE3-CD1 3.44Å; W1395-L1486 HydrophobicContact CZ3-CD1 3.76Å |
| 1396 | N | 59.6 | Low | 83.1 | Confident | 128 Ų | 128 | 42.9 Ų | 42.9 | 68% | 0.684 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 86 | 24.7 | 177.4 | -51.3 | -49.4 | 0 | 0 | 0 | 118.2 | ||
| 1397 | G | 56 | Low | 83.6 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 70.3 | 47.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1341 D1394 | A1341-G1397 WeakPolarHBondContact CB-O 3.44Å; A1341-G1397 CarbonylContact O-C 3.5Å; A1341-G1397 VanDerWaalsContact O-C 3.3Å; A1341-G1397 WeakPolarHBondContact O-CA 3.18Å; D1394-G1397 WeakPolarHBondContact OD1-CA 3.45Å; D1394-G1397 PolarHBondContact OD1-N 3.12Å |
| 1398 | H | 62.2 | Low | 83.7 | Confident | 102 Ų | 102 | 38.2 Ų | 38.2 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | trans | -73.6 | 167.2 | 167.9 | -65.5 | -56.5 | 0 | 0 | 0 | 110.4 | D1394 W1395 S1400 Y1477 | D1394-H1398 VanDerWaalsContact CG-N 3.31Å; D1394-H1398 IonicContact OD1-CD2 3.46Å; D1394-H1398 PolarHBondContact OD1-N 3.12Å; D1394-H1398 WeakPolarHBondContact OD2-CA 3.45Å; D1394-H1398 PolarHBondContact OD2-N 3.08Å; D1394-H1398 VanDerWaalsContact OD2-N 3.09Å; W1395-H1398 PolarHBondContact O-CD2 2.73Å; W1395-H1398 PolarHBondContact O-NE2 2.85Å; W1395-H1398 VanDerWaalsContact O-NE2 3.1Å; H1398-S1400 VanDerWaalsContact C-N 3.32Å; H1398-S1400 WeakPolarHBondContact CB-O 3.18Å; H1398-Y1477 WeakPolarHBondContact O-CE2 3.46Å | ||
| 1399 | N | 65.4 | Low | 83.5 | Confident | 61 Ų | 61 | 42.2 Ų | 42.2 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -95.9 | 7.4 | 173.6 | 65.7 | -16.5 | 0 | 0 | 0 | 112.2 | Y1477 | N1399-Y1477 PolarHBondContact O-N 2.84Š|
| 1400 | S | 76.8 | Confident | 83.3 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 149.4 | 180 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | H1398 V1475 | H1398-S1400 VanDerWaalsContact C-N 3.32Å; H1398-S1400 WeakPolarHBondContact CB-O 3.18Å; S1400-V1475 CarbonylContact C-O 3.23Å; S1400-V1475 WeakPolarHBondContact CA-O 3.44Å; S1400-V1475 WeakPolarHBondContact CB-O 3.45Å |
| 1401 | S | 87.5 | Confident | 82.8 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 149.7 | 174.1 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | I1393 L1403 V1475 Y1477 | I1393-S1401 WeakPolarHBondContact O-CB 3.42Å; I1393-S1401 PolarHBondContact O-OG 2.98Å; S1401-L1403 PolarHBondContact OG-N 2.67Å; S1401-L1403 VanDerWaalsContact OG-N 3.07Å; S1401-L1403 PolarHBondContact OG-O 3.48Å; S1401-V1475 PolarHBondContact N-O 2.85Å; S1401-V1475 WeakPolarHBondContact O-CA 3.44Å; S1401-V1475 WeakPolarHBondContact O-CB 3.27Å; S1401-V1475 WeakPolarHBondContact O-CG2 3.3Å; S1401-V1475 PolarHBondContact O-N 2.94Å; S1401-Y1477 VanDerWaalsContact CB-OH 3.28Å; S1401-Y1477 WeakPolarHBondContact CB-OH 3.35Å |
| 1402 | D | 90.6 | Very high | 81.9 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 22% | 0.219 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 15.2 | 171.3 | 60.6 | -25.7 | 0 | 0 | 0 | 111.8 | K1470 L1471 K1474 | D1402-K1470 CarbonylContact O-C 3.39Å; D1402-K1470 WeakPolarHBondContact O-CA 2.99Å; D1402-K1470 VanDerWaalsContact OD2-CE 3.31Å; D1402-K1470 WeakPolarHBondContact OD2-CE 2.98Å; D1402-L1471 PolarHBondContact O-N 2.86Å; D1402-K1474 HydrophobicContact CB-CG 4.31Å |
| 1403 | L | 94.3 | Very high | 80.6 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.1 | -172.4 | -61.5 | 177.7 | 0 | 0 | 0 | 112 | I1393 S1401 I1468 L1469 K1470 | I1393-L1403 HydrophobicContact CD1-CB 3.91Å; I1393-L1403 HydrophobicContact CD1-CD1 4.49Å; I1393-L1403 HydrophobicContact CG1-CB 3.69Å; I1393-L1403 VanDerWaalsContact CG1-O 3.28Å; I1393-L1403 WeakPolarHBondContact CG1-O 3.06Å; I1393-L1403 PolarHBondContact N-O 2.89Å; S1401-L1403 PolarHBondContact OG-N 2.67Å; S1401-L1403 VanDerWaalsContact OG-N 3.07Å; S1401-L1403 PolarHBondContact OG-O 3.48Å; L1403-I1468 HydrophobicContact CD2-CG2 4.13Å; L1403-L1469 WeakPolarHBondContact CA-O 3.45Å; L1403-K1470 HydrophobicContact CD2-CB 4.26Å; L1403-K1470 HydrophobicContact CD2-CG 4.23Å |
| 1404 | V | 95.8 | Very high | 79 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.9 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | A1375 I1377 S1391 L1392 V1430 I1468 L1469 L1471 | A1375-V1404 HydrophobicContact CB-CG1 4.05Å; I1377-V1404 HydrophobicContact CD1-CG1 4.29Å; S1391-V1404 CarbonylContact O-C 3.55Å; S1391-V1404 WeakPolarHBondContact O-CA 3.29Å; L1392-V1404 HydrophobicContact CD1-CG2 4.04Å; V1404-V1430 HydrophobicContact CG2-CG1 4.29Å; V1404-I1468 CarbonylContact O-C 3.59Å; V1404-I1468 WeakPolarHBondContact O-CA 3.48Å; V1404-L1469 HydrophobicContact CB-CB 4.32Å; V1404-L1469 PolarHBondContact N-O 2.77Å; V1404-L1469 PolarHBondContact O-N 2.81Å; V1404-L1471 HydrophobicContact CG2-CD1 4.03Å; V1404-L1471 HydrophobicContact CG2-CD2 4.19Å; V1404-L1471 HydrophobicContact CG2-CG 4.25Å |
| 1405 | L | 94.6 | Very high | 77.8 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.5 | 176 | -169.8 | 71.4 | 0 | 0 | 0 | 110.2 | G1390 S1391 I1393 I1466 I1468 | G1390-L1405 CarbonylContact C-O 3.56Å; G1390-L1405 VanDerWaalsContact CA-O 3.3Å; G1390-L1405 WeakPolarHBondContact CA-O 3.47Å; S1391-L1405 PolarHBondContact N-O 2.82Å; S1391-L1405 PolarHBondContact O-N 3.01Å; I1393-L1405 HydrophobicContact CD1-CB 4.4Å; I1393-L1405 HydrophobicContact CG2-CB 3.7Å; I1393-L1405 HydrophobicContact CG2-CD2 4.36Å; L1405-I1466 HydrophobicContact CD1-CD1 4.06Å; L1405-I1466 HydrophobicContact CD1-CG1 3.9Å; L1405-I1468 HydrophobicContact CD1-CD1 4.42Å; L1405-I1468 HydrophobicContact CD1-CG1 3.67Å |
| 1406 | T | 94.1 | Very high | 77 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | -177.1 | 179.1 | -169.5 | 0 | 0 | 0 | 0 | 110.9 | I1377 G1389 A1467 L1469 | I1377-T1406 HydrophobicContact CD1-CG2 3.89Å; I1377-T1406 WeakPolarHBondContact CD1-OG1 3.45Å; G1389-T1406 PolarHBondContact O-OG1 2.82Å; T1406-A1467 HydrophobicContact CG2-CB 4.17Å; T1406-A1467 PolarHBondContact N-O 2.91Å; T1406-A1467 PolarHBondContact O-N 3.07Å; T1406-A1467 VanDerWaalsContact O-O 3.1Å; T1406-L1469 HydrophobicContact CG2-CD1 4.25Å; T1406-L1469 HydrophobicContact CG2-CD2 4.47Å; T1406-L1469 HydrophobicContact CG2-CG 4.19Å |
| 1407 | A | 90.2 | Very high | 76.4 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | trans | -82.1 | 150 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | H1409 C1410 | A1407-H1409 VanDerWaalsContact CB-CE1 3.47Å; A1407-H1409 WeakPolarHBondContact CB-CE1 3.05Å; A1407-H1409 WeakPolarHBondContact CB-ND1 3.42Å; A1407-C1410 WeakPolarHBondContact O-CB 3.21Å; A1407-C1410 PolarHBondContact O-N 2.73Å | ||
| 1408 | A | 86.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -68.2 | -37.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1410 V1411 I1412 A1454 F1457 D1465 | A1408-C1410 PolarHBondContact O-N 2.74Å; A1408-V1411 WeakPolarHBondContact O-CG2 3.49Å; A1408-V1411 PolarHBondContact O-N 3.43Å; A1408-I1412 HydrophobicContact CB-CD1 3.86Å; A1408-I1412 VanDerWaalsContact O-CG1 3.3Å; A1408-I1412 WeakPolarHBondContact O-CG1 3.47Å; A1408-I1412 PolarHBondContact O-N 3.47Å; A1408-A1454 HydrophobicContact CB-CB 4.28Å; A1408-F1457 HydrophobicContact CB-CB 3.81Å; A1408-F1457 HydrophobicContact CB-CD2 4.31Å; A1408-F1457 HydrophobicContact CB-CG 4.14Å; A1408-D1465 WeakPolarHBondContact CA-OD1 3.25Å; A1408-D1465 WeakPolarHBondContact CB-OD1 3.37Å; A1408-D1465 PolarHBondContact N-OD1 3.02Å |
| 1409 | H | 86.6 | Confident | 75 | Confident | 100 Ų | 100 | 58 Ų | 58 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -61.5 | -17.4 | 177.9 | 77.4 | -101.8 | 0 | 0 | 0 | 113.7 | A1407 V1411 F1457 D1465 | A1407-H1409 VanDerWaalsContact CB-CE1 3.47Å; A1407-H1409 WeakPolarHBondContact CB-CE1 3.05Å; A1407-H1409 WeakPolarHBondContact CB-ND1 3.42Å; H1409-V1411 VanDerWaalsContact C-N 3.34Å; H1409-F1457 HydrophobicContact CB-CE1 4.36Å; H1409-F1457 HydrophobicContact CB-CE2 4.47Å; H1409-F1457 HydrophobicContact CB-CZ 4.03Å; H1409-D1465 IonicContact CE1-OD2 2.85Å; H1409-D1465 IonicContact CG-OD1 3.86Å; H1409-D1465 IonicContact CG-OD2 3.8Å; H1409-D1465 PolarHBondContact N-OD1 3.38Å; H1409-D1465 IonicContact ND1-OD1 2.7Å; H1409-D1465 PolarHBondContact ND1-OD1 3.34Å; H1409-D1465 IonicContact ND1-OD2 3.88Å; H1409-D1465 PolarHBondContact ND1-OD2 3.21Å |
| 1410 | C | 87 | Confident | 74.3 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 8% | 0.081 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -75 | -20.8 | 175.6 | -78 | 0 | 0 | 0 | 0 | 113.8 | V1379 C1388 A1407 A1408 | V1379-C1410 WeakPolarHBondContact CG2-O 3.45Å; C1388-C1410 HydrophobicContact CB-CB 3.68Å; C1388-C1410 WeakPolarHBondContact CB-SG 3.37Å; C1388-C1410 WeakPolarHBondContact SG-CB 3.41Å; C1388-C1410 CovalentContact SG-SG 2.04Å; C1388-C1410 PolarHBondContact SG-SG 2.83Å; A1407-C1410 WeakPolarHBondContact O-CB 3.21Å; A1407-C1410 PolarHBondContact O-N 2.73Å; A1408-C1410 PolarHBondContact O-N 2.74Å |
| 1411 | V | 84.3 | Confident | 73.8 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | 9.7 | -174.6 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | A1408 H1409 L1422 A1423 I1452 A1467 L1469 | A1408-V1411 WeakPolarHBondContact O-CG2 3.49Å; A1408-V1411 PolarHBondContact O-N 3.43Å; H1409-V1411 VanDerWaalsContact C-N 3.34Å; V1411-L1422 HydrophobicContact CG2-CD2 4.27Å; V1411-L1422 CarbonylContact O-C 3.59Å; V1411-L1422 WeakPolarHBondContact O-CA 3.37Å; V1411-A1423 PolarHBondContact O-N 2.86Å; V1411-I1452 HydrophobicContact CB-CG2 4.16Å; V1411-I1452 HydrophobicContact CG2-CG2 3.8Å; V1411-A1467 HydrophobicContact CG2-CB 3.84Å; V1411-L1469 HydrophobicContact CG1-CD2 3.99Å |
| 1412 | I | 76.5 | Confident | 72.8 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.051 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -102.3 | 127.2 | 176.9 | -77.6 | 171.5 | 0 | 0 | 0 | 109.2 | A1408 T1414 V1420 L1422 F1457 | A1408-I1412 HydrophobicContact CB-CD1 3.86Å; A1408-I1412 VanDerWaalsContact O-CG1 3.3Å; A1408-I1412 WeakPolarHBondContact O-CG1 3.47Å; A1408-I1412 PolarHBondContact O-N 3.47Å; I1412-T1414 HydrophobicContact CG2-CG2 4.11Å; I1412-T1414 PolarHBondContact O-N 3.36Å; I1412-V1420 HydrophobicContact CB-CG1 4.13Å; I1412-V1420 HydrophobicContact CD1-CG1 4.05Å; I1412-V1420 HydrophobicContact CG1-CG1 3.94Å; I1412-V1420 HydrophobicContact CG2-CG1 3.18Å; I1412-L1422 HydrophobicContact CG1-CD2 4.02Å; I1412-F1457 HydrophobicContact CD1-CB 3.52Å; I1412-F1457 HydrophobicContact CD1-CD1 3.57Å; I1412-F1457 HydrophobicContact CD1-CG 3.83Å |
| 1413 | D | 67.5 | Low | 72.1 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | trans | -85.1 | 97.5 | 172.4 | -173.7 | -6.3 | 0 | 0 | 0 | 110.5 | K1415 P1421 | D1413-K1415 PolarHBondContact O-N 2.65Å; D1413-K1415 PolarHBondContact OD1-N 3.19Å; D1413-K1415 VanDerWaalsContact OD1-N 3.09Å; D1413-P1421 PolarHBondContact N-O 2.67Å; D1413-P1421 WeakPolarHBondContact O-CD 3.35Å | ||
| 1414 | T | 58.8 | Low | 71.5 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.3 | -177.4 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | I1412 E1459 | I1412-T1414 HydrophobicContact CG2-CG2 4.11Å; I1412-T1414 PolarHBondContact O-N 3.36Å; T1414-E1459 WeakPolarHBondContact CB-OE1 3.36Å; T1414-E1459 WeakPolarHBondContact CG2-OE1 2.98Å |
| 1415 | K | 54.1 | Low | 71 | Confident | 143 Ų | 143 | 66 Ų | 66 | 62% | 0.622 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -11.6 | -179 | -77.1 | -178.1 | 174.8 | 173.4 | 0 | 114 | D1383 D1413 K1417 | D1383-K1415 IonicContact OD2-NZ 3.48Å; D1383-K1415 PolarHBondContact OD2-NZ 2.88Å; D1413-K1415 PolarHBondContact O-N 2.65Å; D1413-K1415 PolarHBondContact OD1-N 3.19Å; D1413-K1415 VanDerWaalsContact OD1-N 3.09Å; K1415-K1417 PolarHBondContact O-N 3.01Å |
| 1416 | A | 48.8 | Very low | 70.6 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | trans | -87.1 | 109.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1418 P1421 | A1416-V1418 VanDerWaalsContact C-N 3.32Å; A1416-V1418 PolarHBondContact O-N 2.88Å; A1416-V1418 VanDerWaalsContact O-N 3.11Å; A1416-P1421 HydrophobicContact CB-CG 3.2Å | ||
| 1417 | K | 46.7 | Very low | 70.3 | Confident | 211 Ų | 211 | 74.2 Ų | 74.2 | 92% | 0.917 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -74.1 | 7.8 | -166.8 | -76.5 | -172.6 | 175.6 | -179.5 | 0 | 117.7 | K1415 | K1415-K1417 PolarHBondContact O-N 3.01Š|
| 1418 | V | 46 | Very low | 70.3 | Confident | 131 Ų | 131 | 73.3 Ų | 73.3 | 79% | 0.794 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -126.7 | -30.7 | -167.1 | -176.3 | 0 | 0 | 0 | 0 | 116.2 | A1416 | A1416-V1418 VanDerWaalsContact C-N 3.32Å; A1416-V1418 PolarHBondContact O-N 2.88Å; A1416-V1418 VanDerWaalsContact O-N 3.11Å |
| 1419 | E | 43.4 | Very low | 70.6 | Confident | 171 Ų | 171 | 75 Ų | 75 | 80% | 0.799 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -166.7 | 129.4 | 173.3 | -104.9 | 167.6 | -165.2 | 0 | 0 | 103.7 | P1421 | E1419-P1421 WeakPolarHBondContact O-CD 3.03Å; E1419-P1421 WeakPolarHBondContact O-CG 3.39Å |
| 1420 | V | 50.8 | Low | 71.1 | Confident | 91 Ų | 91 | 70.3 Ų | 70.3 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | trans | -55.6 | 97.6 | -170 | -168.5 | 0 | 0 | 0 | 0 | 110 | I1412 L1422 | I1412-V1420 HydrophobicContact CB-CG1 4.13Å; I1412-V1420 HydrophobicContact CD1-CG1 4.05Å; I1412-V1420 HydrophobicContact CG1-CG1 3.94Å; I1412-V1420 HydrophobicContact CG2-CG1 3.18Å; V1420-L1422 PolarHBondContact O-N 2.82Å | ||
| 1421 | P | 64.8 | Low | 71.5 | Confident | 50 Ų | 50 | 71.2 Ų | 71.2 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 127.3 | -174.7 | 8.7 | 8.7 | 0 | 0 | 0 | 107.5 | D1413 A1416 E1419 | D1413-P1421 PolarHBondContact N-O 2.67Å; D1413-P1421 WeakPolarHBondContact O-CD 3.35Å; A1416-P1421 HydrophobicContact CB-CG 3.2Å; E1419-P1421 WeakPolarHBondContact O-CD 3.03Å; E1419-P1421 WeakPolarHBondContact O-CG 3.39Å |
| 1422 | L | 67.3 | Low | 72 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 40% | 0.398 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -65.2 | 145.5 | 166.1 | -65.7 | 169.2 | 0 | 0 | 0 | 108.9 | V1411 I1412 V1420 I1452 A1454 | V1411-L1422 HydrophobicContact CG2-CD2 4.27Å; V1411-L1422 CarbonylContact O-C 3.59Å; V1411-L1422 WeakPolarHBondContact O-CA 3.37Å; I1412-L1422 HydrophobicContact CG1-CD2 4.02Å; V1420-L1422 PolarHBondContact O-N 2.82Å; L1422-I1452 HydrophobicContact CD1-CG2 4.36Å; L1422-I1452 HydrophobicContact CD2-CG2 4.22Å; L1422-A1454 HydrophobicContact CD2-CB 3.55Å |
| 1423 | A | 75.7 | Confident | 72.7 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 142.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1379 V1411 P1425 V1428 I1452 | V1379-A1423 HydrophobicContact CG1-CB 3.85Å; V1411-A1423 PolarHBondContact O-N 2.86Å; A1423-P1425 WeakPolarHBondContact O-CD 3.41Å; A1423-V1428 HydrophobicContact CB-CG2 4.1Å; A1423-I1452 WeakPolarHBondContact O-CD1 3.09Å |
| 1424 | N | 82.6 | Confident | 73.9 | Confident | 80 Ų | 80 | 69 Ų | 69 | 43% | 0.428 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 126.4 | 172.3 | -177 | -2.6 | 0 | 0 | 0 | 108.4 | E1426 N1427 | N1424-E1426 PolarHBondContact O-N 2.79Å; N1424-E1426 PolarHBondContact OD1-N 3.11Å; N1424-N1427 WeakPolarHBondContact O-CB 3.21Å; N1424-N1427 PolarHBondContact O-N 2.9Å |
| 1425 | P | 85.4 | Confident | 75.5 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -49.9 | -31.5 | 177.6 | -28.6 | 33.5 | 0 | 0 | 0 | 114.4 | A1423 N1427 V1428 V1449 I1452 | A1423-P1425 WeakPolarHBondContact O-CD 3.41Å; P1425-N1427 PolarHBondContact O-N 2.84Å; P1425-V1428 PolarHBondContact O-N 3.5Å; P1425-V1428 VanDerWaalsContact O-N 3.17Å; P1425-V1449 CarbonylContact C-O 3.54Å; P1425-V1449 HydrophobicContact CB-CG1 4.31Å; P1425-V1449 WeakPolarHBondContact CB-O 3.48Å; P1425-I1452 HydrophobicContact CB-CG1 4.46Å; P1425-I1452 HydrophobicContact CG-CD1 4.29Å; P1425-I1452 HydrophobicContact CG-CG1 4.14Å |
| 1426 | E | 85.3 | Confident | 77.2 | Confident | 164 Ų | 164 | 58.8 Ų | 58.8 | 77% | 0.766 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -65.8 | -22.7 | 177.3 | -64.1 | -176.5 | 157 | 0 | 0 | 113.8 | N1424 V1428 | N1424-E1426 PolarHBondContact O-N 2.79Å; N1424-E1426 PolarHBondContact OD1-N 3.11Å; E1426-V1428 VanDerWaalsContact C-N 3.34Å |
| 1427 | N | 87.4 | Confident | 79 | Confident | 71 Ų | 71 | 58 Ų | 58 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -92 | 3.9 | 177.7 | -69.2 | 15.4 | 0 | 0 | 0 | 112.7 | D1380 N1424 P1425 | D1380-N1427 HydrophobicContact CB-CB 4.23Å; D1380-N1427 PolarHBondContact N-O 3.16Å; D1380-N1427 PolarHBondContact O-ND2 2.93Å; D1380-N1427 VanDerWaalsContact O-ND2 3.15Å; N1424-N1427 WeakPolarHBondContact O-CB 3.21Å; N1424-N1427 PolarHBondContact O-N 2.9Å; P1425-N1427 PolarHBondContact O-N 2.84Å |
| 1428 | V | 91.4 | Very high | 80.8 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.8 | -178.1 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | I1377 Y1378 V1379 A1423 P1425 E1426 V1449 I1452 L1469 | I1377-V1428 HydrophobicContact CG2-CG1 3.76Å; Y1378-V1428 WeakPolarHBondContact O-CA 3.47Å; V1379-V1428 HydrophobicContact CG1-CG2 4.32Å; V1379-V1428 HydrophobicContact CG2-CG1 4.32Å; V1379-V1428 HydrophobicContact CG2-CG2 4.23Å; A1423-V1428 HydrophobicContact CB-CG2 4.1Å; P1425-V1428 PolarHBondContact O-N 3.5Å; P1425-V1428 VanDerWaalsContact O-N 3.17Å; E1426-V1428 VanDerWaalsContact C-N 3.34Å; V1428-V1449 HydrophobicContact CB-CB 4.17Å; V1428-V1449 HydrophobicContact CB-CG2 4.03Å; V1428-V1449 HydrophobicContact CG1-CB 4.36Å; V1428-V1449 HydrophobicContact CG1-CG2 3.7Å; V1428-V1449 PolarHBondContact O-N 2.74Å; V1428-I1452 HydrophobicContact CG2-CD1 3.86Å; V1428-L1469 HydrophobicContact CG1-CD1 4.2Å |
| 1429 | T | 93.3 | Very high | 82.5 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.3 | 178.7 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | Y1378 Y1431 E1446 | Y1378-T1429 PolarHBondContact N-O 2.77Å; Y1378-T1429 PolarHBondContact O-N 2.47Å; T1429-Y1431 HydrophobicContact CG2-CE1 4.35Å; T1429-Y1431 HydrophobicContact CG2-CE2 4Å; T1429-E1446 HydrophobicContact CG2-CG 3.65Å |
| 1430 | V | 96.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.4 | -180 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | A1375 A1376 I1377 V1404 L1432 Y1447 V1449 L1469 L1471 | A1375-V1430 HydrophobicContact CB-CG1 4.01Å; A1376-V1430 WeakPolarHBondContact O-CA 3.31Å; I1377-V1430 HydrophobicContact CG1-CG2 4.4Å; V1404-V1430 HydrophobicContact CG2-CG1 4.29Å; V1430-L1432 HydrophobicContact CG1-CG 4.3Å; V1430-Y1447 PolarHBondContact N-O 2.84Å; V1430-Y1447 PolarHBondContact O-N 2.86Å; V1430-V1449 HydrophobicContact CG2-CG2 3.77Å; V1430-L1469 HydrophobicContact CG2-CD1 4.17Å; V1430-L1471 HydrophobicContact CB-CD2 3.96Å; V1430-L1471 HydrophobicContact CG1-CD2 4.3Å; V1430-L1471 HydrophobicContact CG2-CD2 3.88Å |
| 1431 | Y | 95 | Very high | 85.9 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.7 | 171.4 | -66.2 | -65.6 | 0 | 0 | 0 | 111.5 | A1375 A1376 Y1378 T1429 R1444 Q1445 E1446 | A1375-Y1431 WeakPolarHBondContact CA-O 3.21Å; A1376-Y1431 PolarHBondContact N-O 2.73Å; A1376-Y1431 PolarHBondContact O-N 3.18Å; Y1378-Y1431 AromaticContact CD2-CD2 3.57Å; Y1378-Y1431 HydrophobicContact CD2-CD2 3.57Å; Y1378-Y1431 AromaticContact CD2-CE2 3.74Å; Y1378-Y1431 HydrophobicContact CD2-CE2 3.74Å; Y1378-Y1431 AromaticContact CE2-CD2 3.61Å; Y1378-Y1431 HydrophobicContact CE2-CD2 3.61Å; Y1378-Y1431 AromaticContact CE2-CE2 3.92Å; Y1378-Y1431 HydrophobicContact CE2-CE2 3.92Å; Y1378-Y1431 HydrophobicContact CG-CE2 4.39Å; T1429-Y1431 HydrophobicContact CG2-CE1 4.35Å; T1429-Y1431 HydrophobicContact CG2-CE2 4Å; Y1431-R1444 HydrophobicContact CD1-CG 3.87Å; Y1431-R1444 VanDerWaalsContact CE1-CZ 3.49Å; Y1431-R1444 HydrophobicContact CG-CG 4.43Å; Y1431-R1444 PolarHBondContact OH-NH2 2.85Å; Y1431-Q1445 WeakPolarHBondContact CA-O 2.98Å; Y1431-E1446 HydrophobicContact CD1-CB 3.95Å; Y1431-E1446 HydrophobicContact CD1-CG 4.04Å; Y1431-E1446 HydrophobicContact CE1-CB 3.57Å; Y1431-E1446 HydrophobicContact CE1-CG 3.38Å; Y1431-E1446 WeakPolarHBondContact CE1-OE2 3.1Å; Y1431-E1446 PolarHBondContact OH-OE2 3.19Å |
| 1432 | L | 94.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.7 | 177.1 | -69.4 | 166.5 | 0 | 0 | 0 | 110.1 | A1375 L1392 V1430 A1434 R1444 Q1445 Y1447 L1471 V1475 I1481 | A1375-L1432 HydrophobicContact CB-CD2 3.67Å; L1392-L1432 HydrophobicContact CB-CD2 4.17Å; L1392-L1432 HydrophobicContact CD1-CD1 4.17Å; L1392-L1432 HydrophobicContact CD2-CD1 4.29Å; V1430-L1432 HydrophobicContact CG1-CG 4.3Å; L1432-A1434 VanDerWaalsContact C-N 3.32Å; L1432-A1434 PolarHBondContact O-N 2.86Å; L1432-R1444 CarbonylContact O-C 3.56Å; L1432-R1444 WeakPolarHBondContact O-CA 3.47Å; L1432-Q1445 PolarHBondContact N-O 3Å; L1432-Q1445 PolarHBondContact O-N 2.71Å; L1432-Y1447 HydrophobicContact CD1-CD2 4.11Å; L1432-Y1447 HydrophobicContact CD1-CE2 4.14Å; L1432-L1471 HydrophobicContact CD1-CD1 4.31Å; L1432-V1475 HydrophobicContact CD1-CB 4.36Å; L1432-V1475 HydrophobicContact CD1-CG1 3.87Å; L1432-V1475 HydrophobicContact CD1-CG2 3.63Å; L1432-I1481 HydrophobicContact CB-CD1 3.85Å; L1432-I1481 HydrophobicContact CB-CG1 4.16Å; L1432-I1481 HydrophobicContact CB-CG2 4.09Å; L1432-I1481 HydrophobicContact CD1-CG2 4.31Å |
| 1433 | G | 91.9 | Very high | 87.7 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 78.7 | 10.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1443 | G1433-T1443 CarbonylContact O-C 3.59Å; G1433-T1443 VanDerWaalsContact O-CB 3.26Å; G1433-T1443 WeakPolarHBondContact O-CB 3.3Å; G1433-T1443 PolarHBondContact O-OG1 3.46Å |
| 1434 | A | 91.8 | Very high | 88.3 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | trans | -89.9 | 140.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1432 L1437 E1441 R1444 W1505 | L1432-A1434 VanDerWaalsContact C-N 3.32Å; L1432-A1434 PolarHBondContact O-N 2.86Å; A1434-L1437 HydrophobicContact CB-CD2 4.02Å; A1434-E1441 VanDerWaalsContact CA-OE2 3.29Å; A1434-E1441 WeakPolarHBondContact CA-OE2 3.45Å; A1434-R1444 HydrophobicContact CB-CB 4.13Å; A1434-R1444 HydrophobicContact CB-CG 4.21Å; A1434-W1505 WeakPolarHBondContact O-CZ2 2.8Å | ||
| 1435 | H | 92.2 | Very high | 88.7 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -105.5 | -49.6 | 166 | 178.4 | 65.5 | 0 | 0 | 0 | 110.4 | E1365 A1366 P1368 E1441 W1505 E1516 L1517 | E1365-H1435 IonicContact OE1-CD2 3.99Å; E1365-H1435 IonicContact OE1-CE1 3.51Å; E1365-H1435 IonicContact OE1-NE2 3.5Å; E1365-H1435 PolarHBondContact OE1-NE2 3.34Å; A1366-H1435 PolarHBondContact O-CE1 3.04Å; P1368-H1435 HydrophobicContact CB-CB 4.43Å; H1435-E1441 PolarHBondContact N-OE2 3.24Å; H1435-W1505 PolarHBondContact O-NE1 3.48Å; H1435-E1516 CarbonylContact O-C 3.59Å; H1435-E1516 WeakPolarHBondContact O-CA 2.86Å; H1435-L1517 PolarHBondContact O-N 3.15Å |
| 1436 | N | 91.4 | Very high | 89 | Confident | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.059 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -105 | 113.1 | 175.1 | -173.1 | -54.8 | 0 | 0 | 0 | 110.9 | G1438 R1439 E1441 D1515 E1516 | N1436-G1438 WeakPolarHBondContact OD1-CA 3.37Å; N1436-G1438 PolarHBondContact OD1-N 3.2Å; N1436-R1439 HydrophobicContact CB-CB 4.49Å; N1436-R1439 PolarHBondContact OD1-N 3.2Å; N1436-E1441 WeakPolarHBondContact CB-OE1 3.4Å; N1436-E1441 PolarHBondContact N-OE1 3.05Å; N1436-D1515 CarbonylContact C-O 3.53Å; N1436-D1515 VanDerWaalsContact CA-O 3.25Å; N1436-D1515 WeakPolarHBondContact CA-O 3.47Å; N1436-E1516 HydrophobicContact CB-CG 4.33Å; N1436-E1516 PolarHBondContact ND2-OE1 3.16Å |
| 1437 | L | 87 | Confident | 89.5 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 12% | 0.12 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -24.2 | 178.8 | -71.8 | 178.7 | 0 | 0 | 0 | 113.3 | A1376 A1434 R1439 W1505 D1515 | A1376-L1437 HydrophobicContact CB-CD1 4.04Å; A1376-L1437 HydrophobicContact CB-CD2 3.98Å; A1434-L1437 HydrophobicContact CB-CD2 4.02Å; L1437-R1439 PolarHBondContact O-N 3.2Å; L1437-W1505 HydrophobicContact CD1-CB 3.96Å; L1437-W1505 HydrophobicContact CD1-CD2 3.44Å; L1437-W1505 VanDerWaalsContact CD1-CD2 3.44Å; L1437-W1505 HydrophobicContact CD1-CE3 3.89Å; L1437-W1505 HydrophobicContact CD1-CG 3.46Å; L1437-W1505 VanDerWaalsContact CD1-CG 3.46Å; L1437-W1505 HydrophobicContact CD1-CZ2 4.47Å; L1437-W1505 HydrophobicContact CD2-CZ2 4.45Å; L1437-W1505 HydrophobicContact CG-CD2 3.93Å; L1437-W1505 HydrophobicContact CG-CG 4.05Å; L1437-W1505 HydrophobicContact CG-CZ2 4.18Å; L1437-D1515 PolarHBondContact N-O 2.82Å |
| 1438 | G | 82.8 | Confident | 89.7 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1436 | N1436-G1438 WeakPolarHBondContact OD1-CA 3.37Å; N1436-G1438 PolarHBondContact OD1-N 3.2Å |
| 1439 | R | 81.9 | Confident | 89.8 | Confident | 183 Ų | 183 | 48.9 Ų | 48.9 | 69% | 0.691 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -121.2 | 142.2 | 177.4 | -66.3 | -176.1 | 180 | -176.9 | 2.9 | 111.2 | N1436 L1437 E1441 | N1436-R1439 HydrophobicContact CB-CB 4.49Å; N1436-R1439 PolarHBondContact OD1-N 3.2Å; L1437-R1439 PolarHBondContact O-N 3.2Å; R1439-E1441 PolarHBondContact O-N 2.89Å; R1439-E1441 VanDerWaalsContact O-N 3.08Å |
| 1440 | L | 80.7 | Confident | 89.7 | Confident | 144 Ų | 144 | 50.1 Ų | 50.1 | 75% | 0.754 | 27% | 0.267 | S | S | * | . | trans | -76.6 | 96 | 171.7 | -159 | 87.8 | 0 | 0 | 0 | 109 | ||||
| 1441 | E | 86 | Confident | 89.5 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 19% | 0.192 | 29% | 0.292 | C | S | . | . | trans | -82.3 | 138.7 | 177.1 | -64.6 | -178.6 | 162.9 | 0 | 0 | 111.6 | H1369 A1434 H1435 N1436 R1439 T1443 R1444 | H1369-E1441 IonicContact CE1-OE2 2.95Å; A1434-E1441 VanDerWaalsContact CA-OE2 3.29Å; A1434-E1441 WeakPolarHBondContact CA-OE2 3.45Å; H1435-E1441 PolarHBondContact N-OE2 3.24Å; N1436-E1441 WeakPolarHBondContact CB-OE1 3.4Å; N1436-E1441 PolarHBondContact N-OE1 3.05Å; R1439-E1441 PolarHBondContact O-N 2.89Å; R1439-E1441 VanDerWaalsContact O-N 3.08Å; E1441-T1443 PolarHBondContact O-N 3.17Å; E1441-T1443 VanDerWaalsContact O-N 3.11Å; E1441-R1444 HydrophobicContact CB-CB 4.38Å; E1441-R1444 VanDerWaalsContact O-CB 3.3Å; E1441-R1444 WeakPolarHBondContact O-CB 3.35Å; E1441-R1444 PolarHBondContact O-N 3.19Å | ||
| 1442 | N | 81.6 | Confident | 89.3 | Confident | 171 Ų | 171 | 55.1 Ų | 55.1 | 91% | 0.914 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.4 | 176.8 | -62.7 | -18.3 | 0 | 0 | 0 | 113.1 | ||
| 1443 | T | 87 | Confident | 88.9 | Confident | 22 Ų | 22 | 60.6 Ų | 60.6 | 14% | 0.135 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -18.4 | 176.7 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | H1369 G1433 E1441 Y1480 | H1369-T1443 PolarHBondContact CE1-OG1 2.84Å; H1369-T1443 VanDerWaalsContact CE1-OG1 3.23Å; G1433-T1443 CarbonylContact O-C 3.59Å; G1433-T1443 VanDerWaalsContact O-CB 3.26Å; G1433-T1443 WeakPolarHBondContact O-CB 3.3Å; G1433-T1443 PolarHBondContact O-OG1 3.46Å; E1441-T1443 PolarHBondContact O-N 3.17Å; E1441-T1443 VanDerWaalsContact O-N 3.11Å; T1443-Y1480 HydrophobicContact CG2-CD1 3.8Å; T1443-Y1480 HydrophobicContact CG2-CD2 3.55Å; T1443-Y1480 HydrophobicContact CG2-CE1 3.86Å; T1443-Y1480 HydrophobicContact CG2-CE2 3.61Å; T1443-Y1480 HydrophobicContact CG2-CG 3.64Å |
| 1444 | R | 89.2 | Confident | 88.5 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 23% | 0.226 | 33% | 0.33 | C | S | . | . | trans | -71 | 128.3 | 179 | 173.6 | 179.8 | 152.3 | -168.9 | -7.7 | 109.9 | Y1431 L1432 A1434 E1441 | Y1431-R1444 HydrophobicContact CD1-CG 3.87Å; Y1431-R1444 VanDerWaalsContact CE1-CZ 3.49Å; Y1431-R1444 HydrophobicContact CG-CG 4.43Å; Y1431-R1444 PolarHBondContact OH-NH2 2.85Å; L1432-R1444 CarbonylContact O-C 3.56Å; L1432-R1444 WeakPolarHBondContact O-CA 3.47Å; A1434-R1444 HydrophobicContact CB-CB 4.13Å; A1434-R1444 HydrophobicContact CB-CG 4.21Å; E1441-R1444 HydrophobicContact CB-CB 4.38Å; E1441-R1444 VanDerWaalsContact O-CB 3.3Å; E1441-R1444 WeakPolarHBondContact O-CB 3.35Å; E1441-R1444 PolarHBondContact O-N 3.19Å | ||
| 1445 | Q | 90.2 | Very high | 87.6 | Confident | 67 Ų | 67 | 62.7 Ų | 62.7 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.8 | 174.9 | -61.3 | -175.9 | 27.6 | 0 | 0 | 109.8 | Y1431 L1432 Y1447 N1478 I1481 | Y1431-Q1445 WeakPolarHBondContact CA-O 2.98Å; L1432-Q1445 PolarHBondContact N-O 3Å; L1432-Q1445 PolarHBondContact O-N 2.71Å; Q1445-Y1447 HydrophobicContact CB-CD2 4.4Å; Q1445-Y1447 HydrophobicContact CB-CE2 3.6Å; Q1445-Y1447 PolarHBondContact OE1-OH 3.09Å; Q1445-N1478 PolarHBondContact NE2-ND2 2.89Å; Q1445-I1481 HydrophobicContact CB-CD1 3.95Å; Q1445-I1481 VanDerWaalsContact CD-CD1 3.45Å; Q1445-I1481 HydrophobicContact CG-CD1 3.76Å |
| 1446 | E | 93 | Very high | 86.6 | Confident | 100 Ų | 100 | 66.3 Ų | 66.3 | 47% | 0.467 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.5 | -177.6 | -171.2 | 172.1 | 132.3 | 0 | 0 | 111.2 | T1429 Y1431 R1473 | T1429-E1446 HydrophobicContact CG2-CG 3.65Å; Y1431-E1446 HydrophobicContact CD1-CB 3.95Å; Y1431-E1446 HydrophobicContact CD1-CG 4.04Å; Y1431-E1446 HydrophobicContact CE1-CB 3.57Å; Y1431-E1446 HydrophobicContact CE1-CG 3.38Å; Y1431-E1446 WeakPolarHBondContact CE1-OE2 3.1Å; Y1431-E1446 PolarHBondContact OH-OE2 3.19Å; E1446-R1473 PolarHBondContact O-NH2 3.09Å |
| 1447 | Y | 94.3 | Very high | 85.3 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 4% | 0.043 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 128.3 | 177.4 | -66.1 | -97.4 | 0 | 0 | 0 | 110.4 | V1430 L1432 Q1445 L1471 R1473 V1475 | V1430-Y1447 PolarHBondContact N-O 2.84Å; V1430-Y1447 PolarHBondContact O-N 2.86Å; L1432-Y1447 HydrophobicContact CD1-CD2 4.11Å; L1432-Y1447 HydrophobicContact CD1-CE2 4.14Å; Q1445-Y1447 HydrophobicContact CB-CD2 4.4Å; Q1445-Y1447 HydrophobicContact CB-CE2 3.6Å; Q1445-Y1447 PolarHBondContact OE1-OH 3.09Å; Y1447-L1471 HydrophobicContact CD1-CD1 4.33Å; Y1447-L1471 HydrophobicContact CG-CD1 4.19Å; Y1447-R1473 HydrophobicContact CD1-CG 3.54Å; Y1447-R1473 HydrophobicContact CE1-CG 3.57Å; Y1447-R1473 VanDerWaalsContact CE1-NE 3.32Å; Y1447-V1475 HydrophobicContact CD1-CG2 4.04Å; Y1447-V1475 HydrophobicContact CD2-CG2 4.3Å; Y1447-V1475 HydrophobicContact CE1-CB 4.43Å; Y1447-V1475 HydrophobicContact CE1-CG2 3.64Å; Y1447-V1475 HydrophobicContact CE2-CG1 4.4Å; Y1447-V1475 HydrophobicContact CE2-CG2 3.92Å; Y1447-V1475 HydrophobicContact CG-CG2 4.37Å |
| 1448 | G | 92.2 | Very high | 84.2 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 152.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1472 | G1448-G1472 PolarHBondContact O-N 2.9Å |
| 1449 | V | 93.6 | Very high | 83 | Confident | 10 Ų | 10 | 72 Ų | 72 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.1 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | P1425 V1428 V1430 H1451 I1452 L1469 L1471 | P1425-V1449 CarbonylContact C-O 3.54Å; P1425-V1449 HydrophobicContact CB-CG1 4.31Å; P1425-V1449 WeakPolarHBondContact CB-O 3.48Å; V1428-V1449 HydrophobicContact CB-CB 4.17Å; V1428-V1449 HydrophobicContact CB-CG2 4.03Å; V1428-V1449 HydrophobicContact CG1-CB 4.36Å; V1428-V1449 HydrophobicContact CG1-CG2 3.7Å; V1428-V1449 PolarHBondContact O-N 2.74Å; V1430-V1449 HydrophobicContact CG2-CG2 3.77Å; V1449-H1451 VanDerWaalsContact CG1-O 3.3Å; V1449-H1451 WeakPolarHBondContact CG1-O 3.32Å; V1449-I1452 HydrophobicContact CG1-CG1 3.87Å; V1449-L1469 HydrophobicContact CG1-CB 4.07Å; V1449-L1469 HydrophobicContact CG2-CB 4.17Å; V1449-L1469 HydrophobicContact CG2-CD1 4.31Å; V1449-L1471 HydrophobicContact CG2-CD2 4.34Å |
| 1450 | T | 90.9 | Very high | 81.8 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -31.8 | 177.1 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | K1470 G1472 | T1450-K1470 PolarHBondContact N-O 2.81Å; T1450-K1470 PolarHBondContact OG1-O 2.81Å; T1450-K1470 VanDerWaalsContact OG1-O 3.05Å; T1450-G1472 VanDerWaalsContact CG2-CA 3.46Å |
| 1451 | H | 91.9 | Very high | 80.7 | Confident | 113 Ų | 113 | 68.2 Ų | 68.2 | 52% | 0.523 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.5 | -177.6 | -61 | 72.6 | 0 | 0 | 0 | 109.8 | V1449 K1470 | V1449-H1451 VanDerWaalsContact CG1-O 3.3Å; V1449-H1451 WeakPolarHBondContact CG1-O 3.32Å; H1451-K1470 HydrophobicContact CB-CB 4.1Å; H1451-K1470 PolarHBondContact O-N 2.89Å |
| 1452 | I | 90.5 | Very high | 79.5 | Confident | 22 Ų | 22 | 70.6 Ų | 70.6 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.7 | 174.3 | -58.9 | 179.7 | 0 | 0 | 0 | 107.3 | V1411 L1422 A1423 P1425 V1428 V1449 L1469 | V1411-I1452 HydrophobicContact CB-CG2 4.16Å; V1411-I1452 HydrophobicContact CG2-CG2 3.8Å; L1422-I1452 HydrophobicContact CD1-CG2 4.36Å; L1422-I1452 HydrophobicContact CD2-CG2 4.22Å; A1423-I1452 WeakPolarHBondContact O-CD1 3.09Å; P1425-I1452 HydrophobicContact CB-CG1 4.46Å; P1425-I1452 HydrophobicContact CG-CD1 4.29Å; P1425-I1452 HydrophobicContact CG-CG1 4.14Å; V1428-I1452 HydrophobicContact CG2-CD1 3.86Å; V1449-I1452 HydrophobicContact CG1-CG1 3.87Å; I1452-L1469 HydrophobicContact CB-CD2 4.3Å; I1452-L1469 HydrophobicContact CD1-CD2 4.34Å; I1452-L1469 HydrophobicContact CG1-CD2 3.81Å; I1452-L1469 HydrophobicContact CG2-CD2 3.96Å |
| 1453 | I | 87.7 | Confident | 78.8 | Confident | 116 Ų | 116 | 67.3 Ų | 67.3 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 106.9 | 176.1 | -55.1 | 173.7 | 0 | 0 | 0 | 107.1 | A1467 I1468 | I1453-A1467 CarbonylContact O-C 3.56Å; I1453-A1467 VanDerWaalsContact O-CA 3.27Å; I1453-A1467 WeakPolarHBondContact O-CA 3.3Å; I1453-I1468 PolarHBondContact N-O 2.81Å; I1453-I1468 PolarHBondContact O-N 3.32Å |
| 1454 | A | 82 | Confident | 78.2 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 151 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1408 L1422 A1467 | A1408-A1454 HydrophobicContact CB-CB 4.28Å; L1422-A1454 HydrophobicContact CD2-CB 3.55Å; A1454-A1467 HydrophobicContact CB-CB 4.04Å |
| 1455 | G | 73.8 | Confident | 77.9 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 28% | 0.278 | 37% | 0.365 | S | S | . | . | trans | -65.3 | 168.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1457 I1466 | G1455-F1457 PolarHBondContact O-N 2.66Å; G1455-I1466 PolarHBondContact N-O 3.33Å | ||
| 1456 | A | 70.4 | Confident | 77.9 | Confident | 85 Ų | 85 | 68.8 Ų | 68.8 | 70% | 0.702 | 37% | 0.372 | S | S | * | . | trans | -73.7 | 64.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | N1458 | A1456-N1458 PolarHBondContact O-N 3.25Š| ||
| 1457 | F | 64.1 | Low | 77.8 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | trans | -56.5 | 133.5 | -178.3 | 179.1 | -111.1 | 0 | 0 | 0 | 110.9 | A1408 H1409 I1412 G1455 E1459 E1462 K1463 D1465 | A1408-F1457 HydrophobicContact CB-CB 3.81Å; A1408-F1457 HydrophobicContact CB-CD2 4.31Å; A1408-F1457 HydrophobicContact CB-CG 4.14Å; H1409-F1457 HydrophobicContact CB-CE1 4.36Å; H1409-F1457 HydrophobicContact CB-CE2 4.47Å; H1409-F1457 HydrophobicContact CB-CZ 4.03Å; I1412-F1457 HydrophobicContact CD1-CB 3.52Å; I1412-F1457 HydrophobicContact CD1-CD1 3.57Å; I1412-F1457 HydrophobicContact CD1-CG 3.83Å; G1455-F1457 PolarHBondContact O-N 2.66Å; F1457-E1459 HydrophobicContact CD1-CG 4.27Å; F1457-E1459 HydrophobicContact CE1-CB 4.4Å; F1457-E1459 HydrophobicContact CE1-CG 3.6Å; F1457-E1459 HydrophobicContact CZ-CG 4.39Å; F1457-E1462 HydrophobicContact CE2-CB 4.43Å; F1457-K1463 WeakPolarHBondContact CA-O 3.43Å; F1457-D1465 HydrophobicContact CD2-CB 3.73Å; F1457-D1465 HydrophobicContact CE2-CB 3.77Å | ||
| 1458 | N | 64.7 | Low | 77.7 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 34% | 0.342 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -123.2 | 111.7 | 176.2 | 175.5 | -14 | 0 | 0 | 0 | 108.9 | A1456 F1460 N1461 E1462 K1463 | A1456-N1458 PolarHBondContact O-N 3.25Å; N1458-F1460 PolarHBondContact O-N 3.02Å; N1458-F1460 VanDerWaalsContact O-N 3.09Å; N1458-F1460 WeakPolarHBondContact OD1-CB 3.36Å; N1458-F1460 WeakPolarHBondContact OD1-CD2 3.46Å; N1458-F1460 PolarHBondContact OD1-N 2.82Å; N1458-N1461 VanDerWaalsContact CB-OD1 3.26Å; N1458-N1461 WeakPolarHBondContact CB-OD1 3.34Å; N1458-N1461 VanDerWaalsContact CG-OD1 3.31Å; N1458-N1461 PolarHBondContact O-N 2.85Å; N1458-N1461 PolarHBondContact O-OD1 3.08Å; N1458-E1462 WeakPolarHBondContact O-CA 3.33Å; N1458-E1462 PolarHBondContact O-N 3.03Å; N1458-K1463 PolarHBondContact N-O 3.32Å |
| 1459 | E | 58.4 | Low | 77.8 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -28 | -177.5 | -74 | -179.1 | 179.5 | 0 | 0 | 113.8 | T1414 F1457 | T1414-E1459 WeakPolarHBondContact CB-OE1 3.36Å; T1414-E1459 WeakPolarHBondContact CG2-OE1 2.98Å; F1457-E1459 HydrophobicContact CD1-CG 4.27Å; F1457-E1459 HydrophobicContact CE1-CB 4.4Å; F1457-E1459 HydrophobicContact CE1-CG 3.6Å; F1457-E1459 HydrophobicContact CZ-CG 4.39Å |
| 1460 | F | 55.8 | Low | 77.9 | Confident | 194 Ų | 194 | 68.2 Ų | 68.2 | 85% | 0.851 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -23.4 | -176 | -65.2 | -78.2 | 0 | 0 | 0 | 113.8 | N1458 | N1458-F1460 PolarHBondContact O-N 3.02Å; N1458-F1460 VanDerWaalsContact O-N 3.09Å; N1458-F1460 WeakPolarHBondContact OD1-CB 3.36Å; N1458-F1460 WeakPolarHBondContact OD1-CD2 3.46Å; N1458-F1460 PolarHBondContact OD1-N 2.82Å |
| 1461 | N | 57.9 | Low | 78.1 | Confident | 54 Ų | 54 | 65.3 Ų | 65.3 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | 7.2 | -177.5 | 65.5 | 10.2 | 0 | 0 | 0 | 113.6 | N1458 K1463 A1533 | N1458-N1461 VanDerWaalsContact CB-OD1 3.26Å; N1458-N1461 WeakPolarHBondContact CB-OD1 3.34Å; N1458-N1461 VanDerWaalsContact CG-OD1 3.31Å; N1458-N1461 PolarHBondContact O-N 2.85Å; N1458-N1461 PolarHBondContact O-OD1 3.08Å; N1461-K1463 PolarHBondContact O-N 2.68Å; N1461-K1463 WeakPolarHBondContact OD1-CB 3.18Å; N1461-K1463 PolarHBondContact OD1-N 3.13Å; N1461-K1463 VanDerWaalsContact OD1-N 3.09Å; N1461-A1533 HydrophobicContact CB-CB 4.03Å; N1461-A1533 WeakPolarHBondContact O-CB 3.21Å |
| 1462 | E | 60.1 | Low | 77.9 | Confident | 91 Ų | 91 | 62.4 Ų | 62.4 | 43% | 0.425 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 24.2 | -179.1 | -58.2 | 178.5 | 175.9 | 0 | 0 | 113.4 | F1457 N1458 M1539 | F1457-E1462 HydrophobicContact CE2-CB 4.43Å; N1458-E1462 WeakPolarHBondContact O-CA 3.33Å; N1458-E1462 PolarHBondContact O-N 3.03Å; E1462-M1539 WeakPolarHBondContact O-CE 3.39Å |
| 1463 | K | 67 | Low | 77.7 | Confident | 102 Ų | 102 | 68.7 Ų | 68.7 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -72 | 138.2 | -179.1 | -174.6 | 179 | 176.2 | 179.2 | 0 | 108.8 | F1457 N1458 N1461 D1465 | F1457-K1463 WeakPolarHBondContact CA-O 3.43Å; N1458-K1463 PolarHBondContact N-O 3.32Å; N1461-K1463 PolarHBondContact O-N 2.68Å; N1461-K1463 WeakPolarHBondContact OD1-CB 3.18Å; N1461-K1463 PolarHBondContact OD1-N 3.13Å; N1461-K1463 VanDerWaalsContact OD1-N 3.09Å; K1463-D1465 VanDerWaalsContact C-N 3.28Å; K1463-D1465 PolarHBondContact O-N 3.43Å |
| 1464 | D | 74.4 | Confident | 77.5 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 24% | 0.235 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 36.5 | 178.2 | -57.9 | -42.3 | 0 | 0 | 0 | 113.3 | I1466 K1538 | D1464-I1466 PolarHBondContact O-N 3.48Å; D1464-K1538 IonicContact OD1-NZ 2.66Å; D1464-K1538 PolarHBondContact OD1-NZ 2.85Å; D1464-K1538 IonicContact OD2-NZ 3.84Å |
| 1465 | D | 84 | Confident | 77.7 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | trans | -70.4 | 67.8 | 172.2 | -170.1 | 20.3 | 0 | 0 | 0 | 112.6 | A1408 H1409 F1457 K1463 | A1408-D1465 WeakPolarHBondContact CA-OD1 3.25Å; A1408-D1465 WeakPolarHBondContact CB-OD1 3.37Å; A1408-D1465 PolarHBondContact N-OD1 3.02Å; H1409-D1465 IonicContact CE1-OD2 2.85Å; H1409-D1465 IonicContact CG-OD1 3.86Å; H1409-D1465 IonicContact CG-OD2 3.8Å; H1409-D1465 PolarHBondContact N-OD1 3.38Å; H1409-D1465 IonicContact ND1-OD1 2.7Å; H1409-D1465 PolarHBondContact ND1-OD1 3.34Å; H1409-D1465 IonicContact ND1-OD2 3.88Å; H1409-D1465 PolarHBondContact ND1-OD2 3.21Å; F1457-D1465 HydrophobicContact CD2-CB 3.73Å; F1457-D1465 HydrophobicContact CE2-CB 3.77Å; K1463-D1465 VanDerWaalsContact C-N 3.28Å; K1463-D1465 PolarHBondContact O-N 3.43Å | ||
| 1466 | I | 88.9 | Confident | 78 | Confident | 88 Ų | 88 | 71 Ų | 71 | 45% | 0.451 | 35% | 0.352 | S | S | . | . | trans | -145.1 | 137 | -177.4 | -170.7 | 166.5 | 0 | 0 | 0 | 110.6 | L1405 G1455 D1464 | L1405-I1466 HydrophobicContact CD1-CD1 4.06Å; L1405-I1466 HydrophobicContact CD1-CG1 3.9Å; G1455-I1466 PolarHBondContact N-O 3.33Å; D1464-I1466 PolarHBondContact O-N 3.48Å | ||
| 1467 | A | 90.7 | Very high | 78.6 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 151.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1406 V1411 I1453 A1454 | T1406-A1467 HydrophobicContact CG2-CB 4.17Å; T1406-A1467 PolarHBondContact N-O 2.91Å; T1406-A1467 PolarHBondContact O-N 3.07Å; T1406-A1467 VanDerWaalsContact O-O 3.1Å; V1411-A1467 HydrophobicContact CG2-CB 3.84Å; I1453-A1467 CarbonylContact O-C 3.56Å; I1453-A1467 VanDerWaalsContact O-CA 3.27Å; I1453-A1467 WeakPolarHBondContact O-CA 3.3Å; A1454-A1467 HydrophobicContact CB-CB 4.04Å |
| 1468 | I | 93.6 | Very high | 79.3 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 30% | 0.303 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.7 | 176.4 | -60.8 | 172.9 | 0 | 0 | 0 | 108.9 | L1403 V1404 L1405 I1453 | L1403-I1468 HydrophobicContact CD2-CG2 4.13Å; V1404-I1468 CarbonylContact O-C 3.59Å; V1404-I1468 WeakPolarHBondContact O-CA 3.48Å; L1405-I1468 HydrophobicContact CD1-CD1 4.42Å; L1405-I1468 HydrophobicContact CD1-CG1 3.67Å; I1453-I1468 PolarHBondContact N-O 2.81Å; I1453-I1468 PolarHBondContact O-N 3.32Å |
| 1469 | L | 94.6 | Very high | 79.8 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130 | 174.3 | -46.5 | 179.7 | 0 | 0 | 0 | 109.4 | I1377 L1403 V1404 T1406 V1411 V1428 V1430 V1449 I1452 | I1377-L1469 HydrophobicContact CD1-CD1 3.82Å; I1377-L1469 HydrophobicContact CG1-CD1 4.28Å; I1377-L1469 HydrophobicContact CG2-CD1 4.08Å; L1403-L1469 WeakPolarHBondContact CA-O 3.45Å; V1404-L1469 HydrophobicContact CB-CB 4.32Å; V1404-L1469 PolarHBondContact N-O 2.77Å; V1404-L1469 PolarHBondContact O-N 2.81Å; T1406-L1469 HydrophobicContact CG2-CD1 4.25Å; T1406-L1469 HydrophobicContact CG2-CD2 4.47Å; T1406-L1469 HydrophobicContact CG2-CG 4.19Å; V1411-L1469 HydrophobicContact CG1-CD2 3.99Å; V1428-L1469 HydrophobicContact CG1-CD1 4.2Å; V1430-L1469 HydrophobicContact CG2-CD1 4.17Å; V1449-L1469 HydrophobicContact CG1-CB 4.07Å; V1449-L1469 HydrophobicContact CG2-CB 4.17Å; V1449-L1469 HydrophobicContact CG2-CD1 4.31Å; I1452-L1469 HydrophobicContact CB-CD2 4.3Å; I1452-L1469 HydrophobicContact CD1-CD2 4.34Å; I1452-L1469 HydrophobicContact CG1-CD2 3.81Å; I1452-L1469 HydrophobicContact CG2-CD2 3.96Å |
| 1470 | K | 95.3 | Very high | 81 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.9 | 172.9 | -173 | 172.3 | -177.3 | 171 | 0 | 110.8 | D1402 L1403 T1450 H1451 | D1402-K1470 CarbonylContact O-C 3.39Å; D1402-K1470 WeakPolarHBondContact O-CA 2.99Å; D1402-K1470 VanDerWaalsContact OD2-CE 3.31Å; D1402-K1470 WeakPolarHBondContact OD2-CE 2.98Å; L1403-K1470 HydrophobicContact CD2-CB 4.26Å; L1403-K1470 HydrophobicContact CD2-CG 4.23Å; T1450-K1470 PolarHBondContact N-O 2.81Å; T1450-K1470 PolarHBondContact OG1-O 2.81Å; T1450-K1470 VanDerWaalsContact OG1-O 3.05Å; H1451-K1470 HydrophobicContact CB-CB 4.1Å; H1451-K1470 PolarHBondContact O-N 2.89Å |
| 1471 | L | 94.7 | Very high | 82.6 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 148.2 | 179.5 | -54.5 | 179.9 | 0 | 0 | 0 | 111 | L1392 D1402 V1404 V1430 L1432 Y1447 V1449 R1473 V1475 | L1392-L1471 HydrophobicContact CD1-CD1 4.38Å; D1402-L1471 PolarHBondContact O-N 2.86Å; V1404-L1471 HydrophobicContact CG2-CD1 4.03Å; V1404-L1471 HydrophobicContact CG2-CD2 4.19Å; V1404-L1471 HydrophobicContact CG2-CG 4.25Å; V1430-L1471 HydrophobicContact CB-CD2 3.96Å; V1430-L1471 HydrophobicContact CG1-CD2 4.3Å; V1430-L1471 HydrophobicContact CG2-CD2 3.88Å; L1432-L1471 HydrophobicContact CD1-CD1 4.31Å; Y1447-L1471 HydrophobicContact CD1-CD1 4.33Å; Y1447-L1471 HydrophobicContact CG-CD1 4.19Å; V1449-L1471 HydrophobicContact CG2-CD2 4.34Å; L1471-R1473 PolarHBondContact O-N 2.93Å; L1471-V1475 HydrophobicContact CD1-CG2 3.37Å |
| 1472 | G | 86.5 | Confident | 84.1 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 55% | 0.546 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -13.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | G1448 T1450 | G1448-G1472 PolarHBondContact O-N 2.9Å; T1450-G1472 VanDerWaalsContact CG2-CA 3.46Å |
| 1473 | R | 88 | Confident | 85.4 | Confident | 154 Ų | 154 | 54.2 Ų | 54.2 | 58% | 0.581 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 154.1 | 175.7 | 54.4 | 170.1 | -178.6 | -135.9 | 4.2 | 109.6 | E1446 Y1447 L1471 | E1446-R1473 PolarHBondContact O-NH2 3.09Å; Y1447-R1473 HydrophobicContact CD1-CG 3.54Å; Y1447-R1473 HydrophobicContact CE1-CG 3.57Å; Y1447-R1473 VanDerWaalsContact CE1-NE 3.32Å; L1471-R1473 PolarHBondContact O-N 2.93Å |
| 1474 | K | 83.6 | Confident | 86.5 | Confident | 113 Ų | 113 | 51.9 Ų | 51.9 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 138.7 | 175.9 | -75.3 | -167.7 | 169.8 | -162.6 | 0 | 111.4 | D1402 Y1476 | D1402-K1474 HydrophobicContact CB-CG 4.31Å; K1474-Y1476 HydrophobicContact CB-CE2 4.33Å |
| 1475 | V | 86.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 119.4 | 170.3 | -174.8 | 0 | 0 | 0 | 0 | 107.5 | L1392 S1400 S1401 L1432 Y1447 L1471 I1481 | L1392-V1475 HydrophobicContact CD1-CB 4.39Å; L1392-V1475 HydrophobicContact CD1-CG2 4.14Å; L1392-V1475 HydrophobicContact CD2-CB 4.26Å; L1392-V1475 HydrophobicContact CD2-CG1 3.94Å; S1400-V1475 CarbonylContact C-O 3.23Å; S1400-V1475 WeakPolarHBondContact CA-O 3.44Å; S1400-V1475 WeakPolarHBondContact CB-O 3.45Å; S1401-V1475 PolarHBondContact N-O 2.85Å; S1401-V1475 WeakPolarHBondContact O-CA 3.44Å; S1401-V1475 WeakPolarHBondContact O-CB 3.27Å; S1401-V1475 WeakPolarHBondContact O-CG2 3.3Å; S1401-V1475 PolarHBondContact O-N 2.94Å; L1432-V1475 HydrophobicContact CD1-CB 4.36Å; L1432-V1475 HydrophobicContact CD1-CG1 3.87Å; L1432-V1475 HydrophobicContact CD1-CG2 3.63Å; Y1447-V1475 HydrophobicContact CD1-CG2 4.04Å; Y1447-V1475 HydrophobicContact CD2-CG2 4.3Å; Y1447-V1475 HydrophobicContact CE1-CB 4.43Å; Y1447-V1475 HydrophobicContact CE1-CG2 3.64Å; Y1447-V1475 HydrophobicContact CE2-CG1 4.4Å; Y1447-V1475 HydrophobicContact CE2-CG2 3.92Å; Y1447-V1475 HydrophobicContact CG-CG2 4.37Å; L1471-V1475 HydrophobicContact CD1-CG2 3.37Å; V1475-I1481 HydrophobicContact CG1-CG2 3.45Å; V1475-I1481 VanDerWaalsContact CG1-CG2 3.45Å |
| 1476 | Y | 80.2 | Confident | 86.5 | Confident | 108 Ų | 108 | 52.9 Ų | 52.9 | 42% | 0.424 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.4 | 175.8 | -68.9 | -85.7 | 0 | 0 | 0 | 110.4 | E1146 K1474 | E1146-Y1476 WeakPolarHBondContact OE1-CE1 3.37Å; E1146-Y1476 PolarHBondContact OE1-OH 2.88Å; E1146-Y1476 VanDerWaalsContact OE1-OH 3.14Å; K1474-Y1476 HydrophobicContact CB-CE2 4.33Å |
| 1477 | Y | 81.1 | Confident | 85.7 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 138.7 | -175.9 | -59.9 | -15.9 | 0 | 0 | 0 | 111.6 | L1392 D1394 H1398 N1399 S1401 I1481 G1483 | L1392-Y1477 HydrophobicContact CD2-CD1 4.29Å; L1392-Y1477 HydrophobicContact CD2-CE1 3.76Å; D1394-Y1477 VanDerWaalsContact CB-OH 3.3Å; D1394-Y1477 WeakPolarHBondContact CB-OH 3.45Å; D1394-Y1477 VanDerWaalsContact CG-OH 3.25Å; D1394-Y1477 WeakPolarHBondContact OD2-CE2 3.38Å; D1394-Y1477 VanDerWaalsContact OD2-CZ 3.24Å; D1394-Y1477 PolarHBondContact OD2-OH 2.79Å; H1398-Y1477 WeakPolarHBondContact O-CE2 3.46Å; N1399-Y1477 PolarHBondContact O-N 2.84Å; S1401-Y1477 VanDerWaalsContact CB-OH 3.28Å; S1401-Y1477 WeakPolarHBondContact CB-OH 3.35Å; Y1477-I1481 CarbonylContact C-O 3.43Å; Y1477-I1481 WeakPolarHBondContact CA-O 3.39Å; Y1477-G1483 VanDerWaalsContact CE1-N 3.34Å; Y1477-G1483 VanDerWaalsContact CZ-N 3.32Å |
| 1478 | N | 78.8 | Confident | 84.6 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | trans | -140.3 | -165.3 | 175.9 | 62.2 | 58.5 | 0 | 0 | 0 | 109.4 | Q1445 Y1480 I1481 Q1482 | Q1445-N1478 PolarHBondContact NE2-ND2 2.89Å; N1478-Y1480 PolarHBondContact O-N 2.83Å; N1478-Y1480 WeakPolarHBondContact OD1-CA 3.27Å; N1478-Y1480 WeakPolarHBondContact OD1-CB 3.19Å; N1478-Y1480 PolarHBondContact OD1-N 2.79Å; N1478-I1481 PolarHBondContact N-O 3.44Å; N1478-I1481 PolarHBondContact OD1-N 2.83Å; N1478-Q1482 VanDerWaalsContact O-CG 3.3Å; N1478-Q1482 WeakPolarHBondContact O-CG 3.37Å; N1478-Q1482 PolarHBondContact O-NE2 3.28Å | ||
| 1479 | K | 75 | Confident | 82.9 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 24% | 0.239 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -66.9 | -23.7 | -178.5 | -62.5 | -178.8 | -175.8 | 175.5 | 0 | 113.2 | Y1347 F1348 | Y1347-K1479 HydrophobicContact CD1-CB 4.38Å; Y1347-K1479 HydrophobicContact CD1-CG 4.47Å; Y1347-K1479 HydrophobicContact CD2-CG 4.34Å; Y1347-K1479 HydrophobicContact CE1-CD 4.19Å; Y1347-K1479 HydrophobicContact CE2-CD 4.48Å; Y1347-K1479 HydrophobicContact CE2-CG 4.45Å; Y1347-K1479 HydrophobicContact CG-CB 4.36Å; Y1347-K1479 HydrophobicContact CG-CG 4.35Å; F1348-K1479 HydrophobicContact CE2-CB 4.4Å; F1348-K1479 WeakPolarHBondContact CE2-O 3.46Å |
| 1480 | Y | 84.6 | Confident | 81.2 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -109 | -19.5 | -172.8 | -45.3 | -69.1 | 0 | 0 | 0 | 113 | F1348 H1369 P1372 T1443 N1478 | F1348-Y1480 AromaticContact CE2-CD1 3.9Å; F1348-Y1480 HydrophobicContact CE2-CD1 3.9Å; F1348-Y1480 AromaticContact CE2-CE1 3.94Å; F1348-Y1480 HydrophobicContact CE2-CE1 3.94Å; F1348-Y1480 HydrophobicContact CZ-CD1 4.4Å; F1348-Y1480 AromaticContact CZ-CE1 3.97Å; F1348-Y1480 HydrophobicContact CZ-CE1 3.97Å; H1369-Y1480 HydrophobicContact CB-CD1 3.92Å; H1369-Y1480 AromaticContact CD2-CD1 3.67Å; H1369-Y1480 AromaticContact CD2-CE1 3.96Å; H1369-Y1480 AromaticContact CG-CD1 3.57Å; H1369-Y1480 AromaticContact ND1-CD1 3.96Å; P1372-Y1480 WeakPolarHBondContact CA-O 3.4Å; P1372-Y1480 WeakPolarHBondContact CB-O 3.16Å; T1443-Y1480 HydrophobicContact CG2-CD1 3.8Å; T1443-Y1480 HydrophobicContact CG2-CD2 3.55Å; T1443-Y1480 HydrophobicContact CG2-CE1 3.86Å; T1443-Y1480 HydrophobicContact CG2-CE2 3.61Å; T1443-Y1480 HydrophobicContact CG2-CG 3.64Å; N1478-Y1480 PolarHBondContact O-N 2.83Å; N1478-Y1480 WeakPolarHBondContact OD1-CA 3.27Å; N1478-Y1480 WeakPolarHBondContact OD1-CB 3.19Å; N1478-Y1480 PolarHBondContact OD1-N 2.79Å |
| 1481 | I | 90.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -130.5 | 120.7 | -177.9 | -54.1 | 175.5 | 0 | 0 | 0 | 109.8 | P1372 L1392 L1432 Q1445 V1475 Y1477 N1478 | P1372-I1481 WeakPolarHBondContact O-CA 3.44Å; L1392-I1481 HydrophobicContact CD2-CG2 3.83Å; L1432-I1481 HydrophobicContact CB-CD1 3.85Å; L1432-I1481 HydrophobicContact CB-CG1 4.16Å; L1432-I1481 HydrophobicContact CB-CG2 4.09Å; L1432-I1481 HydrophobicContact CD1-CG2 4.31Å; Q1445-I1481 HydrophobicContact CB-CD1 3.95Å; Q1445-I1481 VanDerWaalsContact CD-CD1 3.45Å; Q1445-I1481 HydrophobicContact CG-CD1 3.76Å; V1475-I1481 HydrophobicContact CG1-CG2 3.45Å; V1475-I1481 VanDerWaalsContact CG1-CG2 3.45Å; Y1477-I1481 CarbonylContact C-O 3.43Å; Y1477-I1481 WeakPolarHBondContact CA-O 3.39Å; N1478-I1481 PolarHBondContact N-O 3.44Å; N1478-I1481 PolarHBondContact OD1-N 2.83Å | ||
| 1482 | Q | 87.8 | Confident | 77.6 | Confident | 40 Ų | 40 | 80.6 Ų | 80.6 | 19% | 0.187 | 41% | 0.409 | C | S | . | . | trans | -150 | 151.9 | 179 | -59.6 | 179.8 | -24.6 | 0 | 0 | 109.8 | K1345 P1372 W1373 N1478 | K1345-Q1482 PolarHBondContact O-OE1 3.01Å; P1372-Q1482 CarbonylContact C-O 3.55Å; P1372-Q1482 HydrophobicContact CB-CB 4.02Å; P1372-Q1482 HydrophobicContact CB-CG 4.09Å; P1372-Q1482 HydrophobicContact CG-CB 3.87Å; P1372-Q1482 HydrophobicContact CG-CG 4.1Å; P1372-Q1482 PolarHBondContact O-N 3.35Å; P1372-Q1482 VanDerWaalsContact O-N 3.08Å; W1373-Q1482 WeakPolarHBondContact CA-O 3.23Å; W1373-Q1482 WeakPolarHBondContact CB-O 3.22Å; W1373-Q1482 PolarHBondContact N-O 3.31Å; N1478-Q1482 VanDerWaalsContact O-CG 3.3Å; N1478-Q1482 WeakPolarHBondContact O-CG 3.37Å; N1478-Q1482 PolarHBondContact O-NE2 3.28Å | ||
| 1483 | G | 88 | Confident | 76.2 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 151.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1343 G1344 L1392 Y1477 | C1343-G1483 CarbonylContact C-O 3.59Å; C1343-G1483 WeakPolarHBondContact CA-O 3.35Å; C1343-G1483 WeakPolarHBondContact CB-O 3.2Å; G1344-G1483 PolarHBondContact N-O 2.64Å; L1392-G1483 CarbonylContact O-C 3.56Å; L1392-G1483 VanDerWaalsContact O-CA 3.27Å; L1392-G1483 WeakPolarHBondContact O-CA 3.5Å; Y1477-G1483 VanDerWaalsContact CE1-N 3.34Å; Y1477-G1483 VanDerWaalsContact CZ-N 3.32Å |
| 1484 | I | 90.2 | Very high | 75.1 | Confident | 53 Ų | 53 | 77.5 Ų | 77.5 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 148.6 | 168.6 | -160.9 | 167.8 | 0 | 0 | 0 | 111.1 | W1373 L1392 I1393 D1394 | W1373-I1484 HydrophobicContact CB-CB 4.01Å; W1373-I1484 HydrophobicContact CD2-CB 4.01Å; W1373-I1484 HydrophobicContact CD2-CD1 4.28Å; W1373-I1484 HydrophobicContact CD2-CG1 4.31Å; W1373-I1484 HydrophobicContact CE3-CB 4.39Å; W1373-I1484 HydrophobicContact CG-CB 3.83Å; W1373-I1484 HydrophobicContact CG-CD1 4.36Å; W1373-I1484 HydrophobicContact CG-CG1 4.48Å; W1373-I1484 HydrophobicContact CZ2-CD1 4.49Å; L1392-I1484 PolarHBondContact O-N 3.09Å; I1393-I1484 HydrophobicContact CG2-CG2 4.15Å; D1394-I1484 PolarHBondContact N-O 2.99Å |
| 1485 | C | 81.6 | Confident | 74.1 | Confident | 53 Ų | 53 | 76.6 Ų | 76.6 | 36% | 0.358 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 148.2 | -177.9 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | C1343 | C1343-C1485 VanDerWaalsContact CA-SG 3.52Å; C1343-C1485 HydrophobicContact CB-CB 3.94Å; C1343-C1485 WeakPolarHBondContact CB-SG 3.33Å; C1343-C1485 PolarHBondContact O-SG 3.03Å; C1343-C1485 WeakPolarHBondContact SG-CA 3.06Å; C1343-C1485 WeakPolarHBondContact SG-CB 3.23Å; C1343-C1485 CovalentContact SG-SG 2.03Å; C1343-C1485 PolarHBondContact SG-SG 3.21Å |
| 1486 | L | 77.2 | Confident | 72.7 | Confident | 61 Ų | 61 | 84.9 Ų | 84.9 | 32% | 0.319 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 144.7 | 166.2 | -69.2 | 167 | 0 | 0 | 0 | 111.2 | I1393 W1395 | I1393-L1486 HydrophobicContact CB-CD1 4.34Å; I1393-L1486 HydrophobicContact CB-CG 4.44Å; I1393-L1486 HydrophobicContact CD1-CD1 4.06Å; I1393-L1486 HydrophobicContact CG2-CD2 4.23Å; I1393-L1486 HydrophobicContact CG2-CG 4.46Å; W1395-L1486 HydrophobicContact CE3-CD1 3.44Å; W1395-L1486 VanDerWaalsContact CE3-CD1 3.44Å; W1395-L1486 HydrophobicContact CZ3-CD1 3.76Å |
| 1487 | P | 71.3 | Confident | 71.6 | Confident | 106 Ų | 106 | 82.4 Ų | 82.4 | 69% | 0.688 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 157.8 | 177.1 | 28.6 | -33.9 | 0 | 0 | 0 | 112.5 | ||
| 1488 | S | 67.2 | Low | 70.8 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 54% | 0.538 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 150.4 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | N1490 E1491 | S1488-N1490 PolarHBondContact O-N 3.45Å; S1488-E1491 WeakPolarHBondContact CB-OE2 3.08Å; S1488-E1491 PolarHBondContact N-OE2 3.36Å; S1488-E1491 PolarHBondContact O-N 3.38Å; S1488-E1491 VanDerWaalsContact O-N 3.08Å; S1488-E1491 PolarHBondContact OG-OE2 2.77Å |
| 1489 | I | 58.2 | Low | 70.4 | Confident | 172 Ų | 172 | 85.9 Ų | 85.9 | 88% | 0.882 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.1 | -174.6 | -134.3 | 163.2 | 0 | 0 | 0 | 114.7 | ||
| 1490 | N | 60.2 | Low | 70.5 | Confident | 144 Ų | 144 | 85.1 Ų | 85.1 | 77% | 0.77 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 4.5 | -179.3 | -63.5 | -16.7 | 0 | 0 | 0 | 113.3 | S1488 E1492 | S1488-N1490 PolarHBondContact O-N 3.45Å; N1490-E1492 PolarHBondContact O-N 2.66Å |
| 1491 | E | 58 | Low | 70.5 | Confident | 131 Ų | 131 | 84.4 Ų | 84.4 | 61% | 0.612 | 47% | 0.466 | S | S | * | . | trans | -82.9 | 99.1 | 173.3 | -87.8 | 175.4 | 137.8 | 0 | 0 | 109.4 | S1488 A1493 | S1488-E1491 WeakPolarHBondContact CB-OE2 3.08Å; S1488-E1491 PolarHBondContact N-OE2 3.36Å; S1488-E1491 PolarHBondContact O-N 3.38Å; S1488-E1491 VanDerWaalsContact O-N 3.08Å; S1488-E1491 PolarHBondContact OG-OE2 2.77Å; E1491-A1493 PolarHBondContact O-N 2.91Å | ||
| 1492 | E | 55.8 | Low | 70.3 | Confident | 196 Ų | 196 | 88.6 Ų | 88.6 | 92% | 0.916 | 49% | 0.492 | S | S | * | . | trans | -80.2 | -10.1 | -171 | -73.1 | -169.7 | 156 | 0 | 0 | 115.5 | N1490 | N1490-E1492 PolarHBondContact O-N 2.66Š| ||
| 1493 | A | 57.9 | Low | 70.4 | Confident | 71 Ų | 71 | 88.2 Ų | 88.2 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | trans | -163.3 | 139.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | E1491 | E1491-A1493 PolarHBondContact O-N 2.91Š| ||
| 1494 | V | 63.2 | Low | 70.5 | Confident | 70 Ų | 70 | 89 Ų | 89 | 42% | 0.424 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -65 | 129.6 | 164.7 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | K1496 L1524 L1540 | V1494-K1496 PolarHBondContact O-N 2.85Å; V1494-L1524 HydrophobicContact CB-CD1 3.59Å; V1494-L1524 HydrophobicContact CG1-CD1 3.58Å; V1494-L1524 HydrophobicContact CG2-CD1 4Å; V1494-L1540 HydrophobicContact CG2-CD1 4.47Å |
| 1495 | P | 63.4 | Low | 70.5 | Confident | 94 Ų | 94 | 87.3 Ų | 87.3 | 61% | 0.61 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 136.4 | -176.7 | -24.3 | 32.3 | 0 | 0 | 0 | 112.9 | G1497 S1498 | P1495-G1497 PolarHBondContact O-N 2.77Å; P1495-S1498 WeakPolarHBondContact O-CB 3.46Å; P1495-S1498 PolarHBondContact O-N 3.36Å; P1495-S1498 VanDerWaalsContact O-N 3.12Å; P1495-S1498 PolarHBondContact O-OG 2.85Å |
| 1496 | K | 56.7 | Low | 70.2 | Confident | 175 Ų | 175 | 87 Ų | 87 | 76% | 0.761 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 134.1 | 174.8 | -171.4 | -179.5 | 179.4 | -178.4 | 0 | 110.6 | V1494 | V1494-K1496 PolarHBondContact O-N 2.85Š|
| 1497 | G | 57.7 | Low | 69.8 | Low | 56 Ų | 56 | 88.3 Ų | 88.3 | 58% | 0.577 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 3.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | P1495 R1499 | P1495-G1497 PolarHBondContact O-N 2.77Å; G1497-R1499 PolarHBondContact O-N 2.93Å |
| 1498 | S | 64.7 | Low | 69.5 | Low | 34 Ų | 34 | 87.9 Ų | 87.9 | 24% | 0.238 | 50% | 0.498 | C | S | . | . | trans | -60.4 | 132.4 | 167.7 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | P1495 | P1495-S1498 WeakPolarHBondContact O-CB 3.46Å; P1495-S1498 PolarHBondContact O-N 3.36Å; P1495-S1498 VanDerWaalsContact O-N 3.12Å; P1495-S1498 PolarHBondContact O-OG 2.85Å | ||
| 1499 | R | 69.7 | Low | 68.9 | Low | 140 Ų | 140 | 87.7 Ų | 87.7 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 111.5 | 175 | -62.6 | 176.8 | 68.1 | -156.4 | -4.2 | 108.7 | G1497 E1521 | G1497-R1499 PolarHBondContact O-N 2.93Å; R1499-E1521 WeakPolarHBondContact CG-OE1 3.24Å; R1499-E1521 IonicContact CZ-OE1 3.94Å; R1499-E1521 IonicContact CZ-OE2 3.95Å; R1499-E1521 IonicContact NE-OE1 3.56Å; R1499-E1521 PolarHBondContact NE-OE1 2.9Å; R1499-E1521 IonicContact NE-OE2 3.36Å; R1499-E1521 IonicContact NH2-OE1 2.83Å; R1499-E1521 PolarHBondContact NH2-OE1 3.28Å; R1499-E1521 IonicContact NH2-OE2 2.85Å; R1499-E1521 PolarHBondContact NH2-OE2 3.34Å |
| 1500 | C | 77.5 | Confident | 68.6 | Low | 38 Ų | 38 | 85.8 Ų | 85.8 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 161.6 | 177.7 | -61.7 | 0 | 0 | 0 | 0 | 109.2 | E1521 V1522 | C1500-E1521 CarbonylContact O-C 3.3Å; C1500-E1521 WeakPolarHBondContact O-CA 3.47Å; C1500-V1522 WeakPolarHBondContact CA-O 3.14Å; C1500-V1522 HydrophobicContact CB-CG2 3.58Å; C1500-V1522 WeakPolarHBondContact CB-O 3.42Å; C1500-V1522 PolarHBondContact N-O 3.35Å; C1500-V1522 PolarHBondContact O-N 3.05Å |
| 1501 | F | 84.5 | Confident | 68.2 | Low | 61 Ų | 61 | 88.5 Ų | 88.5 | 27% | 0.268 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.3 | 176.6 | -67.4 | -90 | 0 | 0 | 0 | 110.5 | P1350 F1520 E1521 | P1350-F1501 HydrophobicContact CG-CE2 4.49Å; F1501-F1520 CarbonylContact C-O 3.48Å; F1501-F1520 VanDerWaalsContact CA-O 3.28Å; F1501-F1520 WeakPolarHBondContact CA-O 2.77Å; F1501-E1521 HydrophobicContact CD1-CB 3.92Å; F1501-E1521 HydrophobicContact CD1-CG 4.24Å; F1501-E1521 HydrophobicContact CE1-CB 3.67Å; F1501-E1521 HydrophobicContact CE1-CG 3.82Å; F1501-E1521 HydrophobicContact CZ-CB 4.38Å; F1501-E1521 HydrophobicContact CZ-CG 4.04Å |
| 1502 | V | 85.6 | Confident | 68.2 | Low | 88 Ų | 88 | 90 Ų | 90 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.3 | 167.9 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | Q1519 F1520 V1522 | V1502-Q1519 CarbonylContact O-C 3.54Å; V1502-Q1519 WeakPolarHBondContact O-CA 3.27Å; V1502-F1520 PolarHBondContact N-O 3.29Å; V1502-F1520 PolarHBondContact O-N 3.21Å; V1502-V1522 HydrophobicContact CG2-CG1 3.82Å; V1502-V1522 HydrophobicContact CG2-CG2 4Å |
| 1503 | T | 90.3 | Very high | 68.8 | Low | 33 Ų | 33 | 84.9 Ų | 84.9 | 20% | 0.202 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.4 | -174.3 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | H1371 Q1374 Q1518 Q1519 | H1371-T1503 HydrophobicContact CB-CG2 4.33Å; Q1374-T1503 VanDerWaalsContact OE1-CB 3.28Å; Q1374-T1503 PolarHBondContact OE1-O 3.47Å; Q1374-T1503 PolarHBondContact OE1-OG1 2.9Å; T1503-Q1518 WeakPolarHBondContact CA-O 3.31Å; T1503-Q1519 HydrophobicContact CG2-CB 3.68Å |
| 1504 | G | 89.9 | Confident | 69.7 | Low | 16 Ų | 16 | 82.3 Ų | 82.3 | 17% | 0.165 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.3 | 177.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1518 | G1504-Q1518 PolarHBondContact N-O 3.09Å; G1504-Q1518 VanDerWaalsContact N-O 3.09Å; G1504-Q1518 PolarHBondContact O-N 3.32Å |
| 1505 | W | 88.9 | Confident | 70.8 | Confident | 17 Ų | 17 | 83.4 Ų | 83.4 | 6% | 0.064 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -103.9 | 21.2 | 176.2 | -61.6 | -91.6 | 0 | 0 | 0 | 112.5 | Q1374 A1376 A1434 H1435 L1437 N1513 D1515 L1517 | Q1374-W1505 HydrophobicContact CG-CH2 3.54Å; Q1374-W1505 HydrophobicContact CG-CZ3 3.5Å; A1376-W1505 HydrophobicContact CB-CE3 4.12Å; A1376-W1505 HydrophobicContact CB-CH2 4.24Å; A1376-W1505 HydrophobicContact CB-CZ3 3.72Å; A1434-W1505 WeakPolarHBondContact O-CZ2 2.8Å; H1435-W1505 PolarHBondContact O-NE1 3.48Å; L1437-W1505 HydrophobicContact CD1-CB 3.96Å; L1437-W1505 HydrophobicContact CD1-CD2 3.44Å; L1437-W1505 VanDerWaalsContact CD1-CD2 3.44Å; L1437-W1505 HydrophobicContact CD1-CE3 3.89Å; L1437-W1505 HydrophobicContact CD1-CG 3.46Å; L1437-W1505 VanDerWaalsContact CD1-CG 3.46Å; L1437-W1505 HydrophobicContact CD1-CZ2 4.47Å; L1437-W1505 HydrophobicContact CD2-CZ2 4.45Å; L1437-W1505 HydrophobicContact CG-CD2 3.93Å; L1437-W1505 HydrophobicContact CG-CG 4.05Å; L1437-W1505 HydrophobicContact CG-CZ2 4.18Å; W1505-N1513 WeakPolarHBondContact O-CB 2.94Å; W1505-D1515 PolarHBondContact NE1-O 3.34Å; W1505-L1517 HydrophobicContact CD2-CD1 3.92Å; W1505-L1517 HydrophobicContact CE3-CD1 4.03Å; W1505-L1517 HydrophobicContact CH2-CD1 3.92Å; W1505-L1517 HydrophobicContact CZ2-CB 3.9Å; W1505-L1517 HydrophobicContact CZ2-CD1 3.79Å; W1505-L1517 HydrophobicContact CZ2-CD2 4.42Å; W1505-L1517 HydrophobicContact CZ2-CG 4.25Å; W1505-L1517 HydrophobicContact CZ3-CD1 4.04Å; W1505-L1517 VanDerWaalsContact NE1-N 3.18Å |
| 1506 | G | 75.9 | Confident | 71.9 | Confident | 48 Ų | 48 | 82.4 Ų | 82.4 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | trans | -72.1 | 169.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | I1508 P1514 | G1506-I1508 PolarHBondContact O-N 2.82Å; G1506-P1514 WeakPolarHBondContact O-CD 3.38Å | ||
| 1507 | T | 69.6 | Low | 73.6 | Confident | 87 Ų | 87 | 74.2 Ų | 74.2 | 53% | 0.534 | 43% | 0.427 | S | S | . | . | trans | -59 | 128.2 | -172.3 | -37.1 | 0 | 0 | 0 | 0 | 113.2 | G1509 N1510 N1513 | T1507-G1509 VanDerWaalsContact C-N 3.34Å; T1507-G1509 PolarHBondContact O-N 2.82Å; T1507-N1510 WeakPolarHBondContact CG2-O 3.49Å; T1507-N1513 WeakPolarHBondContact CA-OD1 3.44Å; T1507-N1513 PolarHBondContact N-OD1 3.36Å; T1507-N1513 PolarHBondContact OG1-OD1 3.1Å | ||
| 1508 | I | 63.9 | Low | 75.1 | Confident | 97 Ų | 97 | 72.9 Ų | 72.9 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | trans | -93.6 | 40.7 | -178.6 | 52.2 | 168.8 | 0 | 0 | 0 | 113.5 | G1506 N1510 P1514 Q1518 | G1506-I1508 PolarHBondContact O-N 2.82Å; I1508-N1510 PolarHBondContact O-N 3.04Å; I1508-P1514 HydrophobicContact CD1-CB 4.43Å; I1508-P1514 HydrophobicContact CG2-CG 3.92Å; I1508-Q1518 HydrophobicContact CG2-CG 4.01Å | ||
| 1509 | G | 55.6 | Low | 76.1 | Confident | 73 Ų | 73 | 71.4 Ų | 71.4 | 75% | 0.753 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 81.1 | -11.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1507 | T1507-G1509 VanDerWaalsContact C-N 3.34Å; T1507-G1509 PolarHBondContact O-N 2.82Å |
| 1510 | N | 52.7 | Low | 76.4 | Confident | 133 Ų | 133 | 67.1 Ų | 67.1 | 71% | 0.711 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -114 | 148.3 | 162.3 | -72.2 | -27.4 | 0 | 0 | 0 | 107.6 | T1507 I1508 Q1512 | T1507-N1510 WeakPolarHBondContact CG2-O 3.49Å; I1508-N1510 PolarHBondContact O-N 3.04Å; N1510-Q1512 PolarHBondContact O-N 2.73Å |
| 1511 | E | 51.1 | Low | 76.3 | Confident | 201 Ų | 201 | 68.7 Ų | 68.7 | 94% | 0.939 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -56.1 | 13 | -172.7 | -62.2 | 177.3 | 167.7 | 0 | 0 | 117 | ||
| 1512 | Q | 58.3 | Low | 75.6 | Confident | 161 Ų | 161 | 66.4 Ų | 66.4 | 75% | 0.752 | 37% | 0.374 | S | S | * | . | trans | -105.7 | 130.5 | 171.6 | -72.4 | 179 | -11.3 | 0 | 0 | 111.4 | N1510 | N1510-Q1512 PolarHBondContact O-N 2.73Š| ||
| 1513 | N | 67.9 | Low | 74.7 | Confident | 89 Ų | 89 | 63.9 Ų | 63.9 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | trans | -75.9 | 130.7 | 165.7 | -69.1 | -20.1 | 0 | 0 | 0 | 108.6 | W1505 T1507 | W1505-N1513 WeakPolarHBondContact O-CB 2.94Å; T1507-N1513 WeakPolarHBondContact CA-OD1 3.44Å; T1507-N1513 PolarHBondContact N-OD1 3.36Å; T1507-N1513 PolarHBondContact OG1-OD1 3.1Å | ||
| 1514 | P | 77.7 | Confident | 73.4 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | trans | -68.1 | 139.4 | 175.7 | 29.6 | -34.2 | 0 | 0 | 0 | 110.7 | G1506 I1508 E1516 Q1518 | G1506-P1514 WeakPolarHBondContact O-CD 3.38Å; I1508-P1514 HydrophobicContact CD1-CB 4.43Å; I1508-P1514 HydrophobicContact CG2-CG 3.92Å; P1514-E1516 VanDerWaalsContact C-N 3.34Å; P1514-Q1518 HydrophobicContact CB-CG 4.18Å; P1514-Q1518 HydrophobicContact CG-CG 3.58Å | ||
| 1515 | D | 84.4 | Confident | 72 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -68 | -36.4 | 172.6 | -72 | -32.7 | 0 | 0 | 0 | 111.1 | N1436 L1437 W1505 | N1436-D1515 CarbonylContact C-O 3.53Å; N1436-D1515 VanDerWaalsContact CA-O 3.25Å; N1436-D1515 WeakPolarHBondContact CA-O 3.47Å; L1437-D1515 PolarHBondContact N-O 2.82Å; W1505-D1515 PolarHBondContact NE1-O 3.34Å |
| 1516 | E | 88.3 | Confident | 70.6 | Confident | 73 Ų | 73 | 73.2 Ų | 73.2 | 34% | 0.341 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -85.4 | 144.8 | 176.7 | -63.3 | 105.7 | -171.7 | 0 | 0 | 113.5 | E1365 H1435 N1436 P1514 Q1518 | E1365-E1516 HydrophobicContact CG-CB 3.88Å; E1365-E1516 HydrophobicContact CG-CG 4.37Å; H1435-E1516 CarbonylContact O-C 3.59Å; H1435-E1516 WeakPolarHBondContact O-CA 2.86Å; N1436-E1516 HydrophobicContact CB-CG 4.33Å; N1436-E1516 PolarHBondContact ND2-OE1 3.16Å; P1514-E1516 VanDerWaalsContact C-N 3.34Å; E1516-Q1518 PolarHBondContact O-N 3Å; E1516-Q1518 PolarHBondContact O-NE2 3.21Å |
| 1517 | L | 90.9 | Very high | 69.5 | Low | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -61 | 126.6 | 176.8 | -178.4 | 62.4 | 0 | 0 | 0 | 110.7 | A1366 H1371 Q1374 H1435 W1505 | A1366-L1517 HydrophobicContact CB-CB 4.39Å; A1366-L1517 HydrophobicContact CB-CD2 4.2Å; A1366-L1517 HydrophobicContact CB-CG 4.09Å; A1366-L1517 WeakPolarHBondContact CB-O 3.4Å; A1366-L1517 PolarHBondContact N-O 2.65Å; H1371-L1517 HydrophobicContact CB-CD2 4.38Å; Q1374-L1517 HydrophobicContact CB-CD2 4.28Å; Q1374-L1517 HydrophobicContact CG-CD1 3.79Å; Q1374-L1517 HydrophobicContact CG-CD2 4.12Å; H1435-L1517 PolarHBondContact O-N 3.15Å; W1505-L1517 HydrophobicContact CD2-CD1 3.92Å; W1505-L1517 HydrophobicContact CE3-CD1 4.03Å; W1505-L1517 HydrophobicContact CH2-CD1 3.92Å; W1505-L1517 HydrophobicContact CZ2-CB 3.9Å; W1505-L1517 HydrophobicContact CZ2-CD1 3.79Å; W1505-L1517 HydrophobicContact CZ2-CD2 4.42Å; W1505-L1517 HydrophobicContact CZ2-CG 4.25Å; W1505-L1517 HydrophobicContact CZ3-CD1 4.04Å; W1505-L1517 VanDerWaalsContact NE1-N 3.18Å |
| 1518 | Q | 89.2 | Confident | 68.7 | Low | 28 Ų | 28 | 75.2 Ų | 75.2 | 13% | 0.131 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 151.7 | 175.6 | -55.3 | -58.4 | -54.6 | 0 | 0 | 110.9 | F1364 E1365 T1503 G1504 I1508 P1514 E1516 | F1364-Q1518 CarbonylContact O-C 3.49Å; F1364-Q1518 WeakPolarHBondContact O-CA 3.47Å; F1364-Q1518 PolarHBondContact O-OE1 2.97Å; E1365-Q1518 VanDerWaalsContact N-OE1 3.14Å; T1503-Q1518 WeakPolarHBondContact CA-O 3.31Å; G1504-Q1518 PolarHBondContact N-O 3.09Å; G1504-Q1518 VanDerWaalsContact N-O 3.09Å; G1504-Q1518 PolarHBondContact O-N 3.32Å; I1508-Q1518 HydrophobicContact CG2-CG 4.01Å; P1514-Q1518 HydrophobicContact CB-CG 4.18Å; P1514-Q1518 HydrophobicContact CG-CG 3.58Å; E1516-Q1518 PolarHBondContact O-N 3Å; E1516-Q1518 PolarHBondContact O-NE2 3.21Å |
| 1519 | Q | 85.3 | Confident | 68.2 | Low | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.2 | 172.2 | 70.4 | 178.3 | 31.4 | 0 | 0 | 112.3 | P1350 G1363 F1364 A1366 H1371 V1502 T1503 | P1350-Q1519 PolarHBondContact O-NE2 3.36Å; G1363-Q1519 WeakPolarHBondContact CA-O 3.26Å; F1364-Q1519 HydrophobicContact CD2-CG 4.08Å; F1364-Q1519 HydrophobicContact CE1-CG 4.25Å; F1364-Q1519 HydrophobicContact CE2-CG 3.77Å; F1364-Q1519 HydrophobicContact CG-CG 4.48Å; F1364-Q1519 HydrophobicContact CZ-CG 3.86Å; F1364-Q1519 PolarHBondContact N-O 3.34Å; F1364-Q1519 PolarHBondContact O-N 3.46Å; A1366-Q1519 HydrophobicContact CB-CB 4.08Å; A1366-Q1519 HydrophobicContact CB-CG 4.08Å; H1371-Q1519 PolarHBondContact CD2-OE1 2.86Å; H1371-Q1519 PolarHBondContact NE2-OE1 3.14Å; V1502-Q1519 CarbonylContact O-C 3.54Å; V1502-Q1519 WeakPolarHBondContact O-CA 3.27Å; T1503-Q1519 HydrophobicContact CG2-CB 3.68Å |
| 1520 | F | 76.5 | Confident | 68 | Low | 50 Ų | 50 | 74.5 Ų | 74.5 | 22% | 0.219 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 132.5 | 175.3 | -178.8 | -110 | 0 | 0 | 0 | 110.5 | F1501 V1502 V1522 H1542 | F1501-F1520 CarbonylContact C-O 3.48Å; F1501-F1520 VanDerWaalsContact CA-O 3.28Å; F1501-F1520 WeakPolarHBondContact CA-O 2.77Å; V1502-F1520 PolarHBondContact N-O 3.29Å; V1502-F1520 PolarHBondContact O-N 3.21Å; F1520-V1522 HydrophobicContact CD1-CG1 3.51Å; F1520-V1522 HydrophobicContact CE1-CG1 3.66Å; F1520-H1542 AromaticContact CE1-NE2 3.99Å |
| 1521 | E | 76.1 | Confident | 67.9 | Low | 72 Ų | 72 | 74.2 Ų | 74.2 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.1 | -179.4 | -169.5 | -179.9 | 155.4 | 0 | 0 | 111.5 | R1499 C1500 F1501 | R1499-E1521 WeakPolarHBondContact CG-OE1 3.24Å; R1499-E1521 IonicContact CZ-OE1 3.94Å; R1499-E1521 IonicContact CZ-OE2 3.95Å; R1499-E1521 IonicContact NE-OE1 3.56Å; R1499-E1521 PolarHBondContact NE-OE1 2.9Å; R1499-E1521 IonicContact NE-OE2 3.36Å; R1499-E1521 IonicContact NH2-OE1 2.83Å; R1499-E1521 PolarHBondContact NH2-OE1 3.28Å; R1499-E1521 IonicContact NH2-OE2 2.85Å; R1499-E1521 PolarHBondContact NH2-OE2 3.34Å; C1500-E1521 CarbonylContact O-C 3.3Å; C1500-E1521 WeakPolarHBondContact O-CA 3.47Å; F1501-E1521 HydrophobicContact CD1-CB 3.92Å; F1501-E1521 HydrophobicContact CD1-CG 4.24Å; F1501-E1521 HydrophobicContact CE1-CB 3.67Å; F1501-E1521 HydrophobicContact CE1-CG 3.82Å; F1501-E1521 HydrophobicContact CZ-CB 4.38Å; F1501-E1521 HydrophobicContact CZ-CG 4.04Å |
| 1522 | V | 69.5 | Low | 67.9 | Low | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.2 | -176.4 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | C1500 V1502 F1520 H1542 | C1500-V1522 WeakPolarHBondContact CA-O 3.14Å; C1500-V1522 HydrophobicContact CB-CG2 3.58Å; C1500-V1522 WeakPolarHBondContact CB-O 3.42Å; C1500-V1522 PolarHBondContact N-O 3.35Å; C1500-V1522 PolarHBondContact O-N 3.05Å; V1502-V1522 HydrophobicContact CG2-CG1 3.82Å; V1502-V1522 HydrophobicContact CG2-CG2 4Å; F1520-V1522 HydrophobicContact CD1-CG1 3.51Å; F1520-V1522 HydrophobicContact CE1-CG1 3.66Å; V1522-H1542 WeakPolarHBondContact CA-CE1 3.45Å; V1522-H1542 HydrophobicContact CB-CB 3.93Å; V1522-H1542 VanDerWaalsContact CB-CD2 3.45Å; V1522-H1542 WeakPolarHBondContact CB-CD2 3.43Å; V1522-H1542 HydrophobicContact CG1-CB 4.42Å; V1522-H1542 WeakPolarHBondContact CG1-CD2 3.5Å |
| 1523 | S | 66.3 | Low | 67.7 | Low | 36 Ų | 36 | 64.5 Ų | 64.5 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130 | 171.8 | -49 | 0 | 0 | 0 | 0 | 112.2 | H1542 P1543 | S1523-H1542 PolarHBondContact N-CE1 2.98Å; S1523-H1542 PolarHBondContact N-ND1 2.92Å; S1523-H1542 PolarHBondContact O-ND1 2.82Å; S1523-P1543 WeakPolarHBondContact O-CD 3.21Å |
| 1524 | L | 64.5 | Low | 67.3 | Low | 29 Ų | 29 | 62.4 Ų | 62.4 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | trans | -76.3 | 147 | -177.6 | -64.5 | 170.4 | 0 | 0 | 0 | 114.4 | V1494 L1540 | V1494-L1524 HydrophobicContact CB-CD1 3.59Å; V1494-L1524 HydrophobicContact CG1-CD1 3.58Å; V1494-L1524 HydrophobicContact CG2-CD1 4Å; L1524-L1540 HydrophobicContact CD1-CD1 4.33Å; L1524-L1540 HydrophobicContact CD2-CB 4.21Å | ||
| 1525 | Y | 59.9 | Low | 66.6 | Low | 90 Ų | 90 | 64.1 Ų | 64.1 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -112.3 | 133.7 | 175.8 | -170.1 | -118.3 | 0 | 0 | 0 | 111.2 | G1527 C1541 P1543 | Y1525-G1527 WeakPolarHBondContact CD1-O 3.49Å; Y1525-G1527 VanDerWaalsContact CE1-N 3.33Å; Y1525-G1527 WeakPolarHBondContact CE1-O 3.32Å; Y1525-G1527 VanDerWaalsContact CZ-CA 3.47Å; Y1525-C1541 PolarHBondContact N-O 2.86Å; Y1525-P1543 HydrophobicContact CD2-CG 4.2Å; Y1525-P1543 HydrophobicContact CG-CG 4.25Å |
| 1526 | D | 58.3 | Low | 65.6 | Low | 142 Ų | 142 | 67 Ų | 67 | 76% | 0.759 | 33% | 0.333 | S | S | * | . | trans | -104.7 | 9.9 | 176.7 | -169.7 | 29.1 | 0 | 0 | 0 | 112.7 | ||||
| 1527 | G | 53.7 | Low | 64.7 | Low | 22 Ų | 22 | 70.6 Ų | 70.6 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -86.4 | 163.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1525 V1529 | Y1525-G1527 WeakPolarHBondContact CD1-O 3.49Å; Y1525-G1527 VanDerWaalsContact CE1-N 3.33Å; Y1525-G1527 WeakPolarHBondContact CE1-O 3.32Å; Y1525-G1527 VanDerWaalsContact CZ-CA 3.47Å; G1527-V1529 PolarHBondContact O-N 2.84Å |
| 1528 | K | 53.5 | Low | 63.7 | Low | 155 Ų | 155 | 76.6 Ų | 76.6 | 67% | 0.674 | 37% | 0.373 | S | S | * | . | trans | -58.6 | 105.7 | -177.6 | -72.2 | 179.9 | 174.8 | 175 | 0 | 111.7 | H1861 | K1528-H1861 PolarHBondContact NZ-CE1 2.96Å; K1528-H1861 PolarHBondContact NZ-NE2 3.06Å | ||
| 1529 | V | 52.7 | Low | 62.9 | Low | 43 Ų | 43 | 77.8 Ų | 77.8 | 26% | 0.261 | 38% | 0.379 | S | S | . | . | trans | -78.1 | 126.4 | 168.7 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | G1527 Y1531 Y1534 C1541 | G1527-V1529 PolarHBondContact O-N 2.84Å; V1529-Y1531 PolarHBondContact O-N 2.78Å; V1529-Y1534 HydrophobicContact CB-CD1 3.62Å; V1529-Y1534 HydrophobicContact CB-CD2 4.27Å; V1529-Y1534 HydrophobicContact CB-CE1 3.75Å; V1529-Y1534 HydrophobicContact CB-CE2 4.41Å; V1529-Y1534 HydrophobicContact CB-CG 3.89Å; V1529-Y1534 HydrophobicContact CG1-CD1 4.28Å; V1529-Y1534 HydrophobicContact CG1-CD2 4.27Å; V1529-Y1534 HydrophobicContact CG1-CG 4.04Å; V1529-Y1534 HydrophobicContact CG2-CD1 4.3Å; V1529-Y1534 HydrophobicContact CG2-CE1 3.93Å; V1529-Y1534 HydrophobicContact CG2-CE2 4.28Å; V1529-C1541 HydrophobicContact CG2-CB 3.55Å; V1529-C1541 VanDerWaalsContact CG2-SG 3.55Å | ||
| 1530 | R | 51.8 | Low | 62.2 | Low | 112 Ų | 112 | 83.3 Ų | 83.3 | 42% | 0.423 | 41% | 0.409 | S | S | . | . | trans | -97.1 | 56.5 | 179.9 | -66.7 | -167.4 | -170.2 | 152.9 | 6.9 | 111.5 | H1609 N1862 | R1530-H1609 PolarHBondContact NH2-NE2 3.15Å; R1530-N1862 VanDerWaalsContact NH1-CB 3.3Å; R1530-N1862 PolarHBondContact NH1-ND2 3.47Å; R1530-N1862 VanDerWaalsContact NH1-ND2 3.14Å | ||
| 1531 | Y | 50.9 | Low | 61.7 | Low | 127 Ų | 127 | 82.7 Ų | 82.7 | 50% | 0.498 | 41% | 0.41 | S | S | . | . | trans | -107 | 123.4 | 165.5 | -164.5 | -112.9 | 0 | 0 | 0 | 106 | V1529 A1533 Y1534 | V1529-Y1531 PolarHBondContact O-N 2.78Å; Y1531-A1533 HydrophobicContact CD1-CB 3.8Å; Y1531-A1533 HydrophobicContact CE1-CB 3.83Å; Y1531-A1533 PolarHBondContact O-N 3.4Å; Y1531-A1533 VanDerWaalsContact O-N 3.12Å; Y1531-Y1534 VanDerWaalsContact O-CB 3.25Å; Y1531-Y1534 WeakPolarHBondContact O-CB 3.38Å; Y1531-Y1534 PolarHBondContact O-N 3.07Å | ||
| 1532 | S | 50.8 | Low | 60.8 | Low | 138 Ų | 138 | 81.4 Ų | 81.4 | 97% | 0.965 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23.9 | -171.6 | 45.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1533 | A | 53.9 | Low | 60 | Low | 21 Ų | 21 | 81.8 Ų | 81.8 | 17% | 0.174 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -12.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1461 Y1531 N1535 | N1461-A1533 HydrophobicContact CB-CB 4.03Å; N1461-A1533 WeakPolarHBondContact O-CB 3.21Å; Y1531-A1533 HydrophobicContact CD1-CB 3.8Å; Y1531-A1533 HydrophobicContact CE1-CB 3.83Å; Y1531-A1533 PolarHBondContact O-N 3.4Å; Y1531-A1533 VanDerWaalsContact O-N 3.12Å; A1533-N1535 PolarHBondContact O-N 3.25Å; A1533-N1535 VanDerWaalsContact O-N 3.08Å |
| 1534 | Y | 58.6 | Low | 59.1 | Low | 45 Ų | 45 | 85.5 Ų | 85.5 | 18% | 0.176 | 42% | 0.421 | C | S | . | . | trans | -69.1 | 110.1 | -176.8 | 175.4 | -99.2 | 0 | 0 | 0 | 110.8 | V1529 Y1531 K1536 M1539 C1541 | V1529-Y1534 HydrophobicContact CB-CD1 3.62Å; V1529-Y1534 HydrophobicContact CB-CD2 4.27Å; V1529-Y1534 HydrophobicContact CB-CE1 3.75Å; V1529-Y1534 HydrophobicContact CB-CE2 4.41Å; V1529-Y1534 HydrophobicContact CB-CG 3.89Å; V1529-Y1534 HydrophobicContact CG1-CD1 4.28Å; V1529-Y1534 HydrophobicContact CG1-CD2 4.27Å; V1529-Y1534 HydrophobicContact CG1-CG 4.04Å; V1529-Y1534 HydrophobicContact CG2-CD1 4.3Å; V1529-Y1534 HydrophobicContact CG2-CE1 3.93Å; V1529-Y1534 HydrophobicContact CG2-CE2 4.28Å; Y1531-Y1534 VanDerWaalsContact O-CB 3.25Å; Y1531-Y1534 WeakPolarHBondContact O-CB 3.38Å; Y1531-Y1534 PolarHBondContact O-N 3.07Å; Y1534-K1536 HydrophobicContact CE1-CB 3.78Å; Y1534-M1539 HydrophobicContact CD2-CB 3.53Å; Y1534-M1539 HydrophobicContact CD2-SD 4.25Å; Y1534-M1539 HydrophobicContact CE2-CB 3.51Å; Y1534-M1539 WeakPolarHBondContact CE2-O 3.34Å; Y1534-M1539 VanDerWaalsContact CZ-O 3.32Å; Y1534-M1539 PolarHBondContact OH-O 3.45Å; Y1534-C1541 WeakPolarHBondContact CE2-SG 3.35Å | ||
| 1535 | N | 63.8 | Low | 58 | Low | 53 Ų | 53 | 87.4 Ų | 87.4 | 28% | 0.283 | 43% | 0.431 | S | S | . | . | trans | -99.8 | 109.1 | 168.9 | -172.4 | -32 | 0 | 0 | 0 | 109 | A1533 K1537 K1538 M1539 | A1533-N1535 PolarHBondContact O-N 3.25Å; A1533-N1535 VanDerWaalsContact O-N 3.08Å; N1535-K1537 PolarHBondContact O-N 2.74Å; N1535-K1537 WeakPolarHBondContact OD1-CB 3.26Å; N1535-K1537 PolarHBondContact OD1-N 3.22Å; N1535-K1538 HydrophobicContact CB-CB 4.38Å; N1535-K1538 CarbonylContact O-C 3.58Å; N1535-K1538 PolarHBondContact O-N 3.11Å; N1535-M1539 PolarHBondContact O-N 2.04Å | ||
| 1536 | K | 63.8 | Low | 56.8 | Low | 154 Ų | 154 | 90.3 Ų | 90.3 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -21.5 | 178.5 | 67.8 | 175.2 | -177.4 | 172.9 | 0 | 114.8 | Y1534 | Y1534-K1536 HydrophobicContact CE1-CB 3.78Š|
| 1537 | K | 68.2 | Low | 55.4 | Low | 148 Ų | 148 | 84.7 Ų | 84.7 | 64% | 0.643 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -16.6 | 176.5 | -63.4 | -178.4 | 177 | 172 | 0 | 112.9 | N1535 | N1535-K1537 PolarHBondContact O-N 2.74Å; N1535-K1537 WeakPolarHBondContact OD1-CB 3.26Å; N1535-K1537 PolarHBondContact OD1-N 3.22Å |
| 1538 | K | 71 | Confident | 54.3 | Low | 130 Ų | 130 | 84.2 Ų | 84.2 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124 | -17.8 | -174.6 | -67.7 | -170.6 | 169.4 | -166.9 | 0 | 114.3 | D1464 N1535 | D1464-K1538 IonicContact OD1-NZ 2.66Å; D1464-K1538 PolarHBondContact OD1-NZ 2.85Å; D1464-K1538 IonicContact OD2-NZ 3.84Å; N1535-K1538 HydrophobicContact CB-CB 4.38Å; N1535-K1538 CarbonylContact O-C 3.58Å; N1535-K1538 PolarHBondContact O-N 3.11Å |
| 1539 | M | 71.6 | Confident | 53.4 | Low | 52 Ų | 52 | 78.5 Ų | 78.5 | 26% | 0.256 | 40% | 0.398 | S | S | . | . | trans | -127.6 | 141.3 | -175.3 | -68 | 175.5 | 170.2 | 0 | 0 | 111.3 | E1462 Y1534 N1535 | E1462-M1539 WeakPolarHBondContact O-CE 3.39Å; Y1534-M1539 HydrophobicContact CD2-CB 3.53Å; Y1534-M1539 HydrophobicContact CD2-SD 4.25Å; Y1534-M1539 HydrophobicContact CE2-CB 3.51Å; Y1534-M1539 WeakPolarHBondContact CE2-O 3.34Å; Y1534-M1539 VanDerWaalsContact CZ-O 3.32Å; Y1534-M1539 PolarHBondContact OH-O 3.45Å; N1535-M1539 PolarHBondContact O-N 2.04Å | ||
| 1540 | L | 71.5 | Confident | 52.7 | Low | 119 Ų | 119 | 80.8 Ų | 80.8 | 62% | 0.623 | 42% | 0.421 | S | S | * | . | trans | -109.1 | 152.4 | 174 | -65.4 | 175.5 | 0 | 0 | 0 | 110.3 | V1494 L1524 | V1494-L1540 HydrophobicContact CG2-CD1 4.47Å; L1524-L1540 HydrophobicContact CD1-CD1 4.33Å; L1524-L1540 HydrophobicContact CD2-CB 4.21Å | ||
| 1541 | C | 65.3 | Low | 52.2 | Low | 36 Ų | 36 | 84 Ų | 84 | 24% | 0.243 | 44% | 0.441 | C | S | . | . | B | Isolated β-bridge | trans | -132.6 | 138.6 | 177.1 | -72.1 | 0 | 0 | 0 | 0 | 111.6 | Y1525 V1529 Y1534 | Y1525-C1541 PolarHBondContact N-O 2.86Å; V1529-C1541 HydrophobicContact CG2-CB 3.55Å; V1529-C1541 VanDerWaalsContact CG2-SG 3.55Å; Y1534-C1541 WeakPolarHBondContact CE2-SG 3.35Å |
| 1542 | H | 56.7 | Low | 52.1 | Low | 46 Ų | 46 | 79 Ų | 79 | 21% | 0.213 | 43% | 0.426 | C | S | . | . | trans | -101.2 | 129 | 168.9 | 164.7 | 60.6 | 0 | 0 | 0 | 108.8 | F1520 V1522 S1523 M1544 | F1520-H1542 AromaticContact CE1-NE2 3.99Å; V1522-H1542 WeakPolarHBondContact CA-CE1 3.45Å; V1522-H1542 HydrophobicContact CB-CB 3.93Å; V1522-H1542 VanDerWaalsContact CB-CD2 3.45Å; V1522-H1542 WeakPolarHBondContact CB-CD2 3.43Å; V1522-H1542 HydrophobicContact CG1-CB 4.42Å; V1522-H1542 WeakPolarHBondContact CG1-CD2 3.5Å; S1523-H1542 PolarHBondContact N-CE1 2.98Å; S1523-H1542 PolarHBondContact N-ND1 2.92Å; S1523-H1542 PolarHBondContact O-ND1 2.82Å; H1542-M1544 WeakPolarHBondContact NE2-CA 3.25Å; H1542-M1544 PolarHBondContact O-N 3.11Å | ||
| 1543 | P | 53 | Low | 52.8 | Low | 19 Ų | 19 | 73.8 Ų | 73.8 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | trans | -76.6 | 117.3 | 164.3 | 30.9 | -18.2 | 0 | 0 | 0 | 106.8 | S1523 Y1525 N1545 G1548 C1549 | S1523-P1543 WeakPolarHBondContact O-CD 3.21Å; Y1525-P1543 HydrophobicContact CD2-CG 4.2Å; Y1525-P1543 HydrophobicContact CG-CG 4.25Å; P1543-N1545 PolarHBondContact O-N 3.4Å; P1543-G1548 CarbonylContact C-O 3.4Å; P1543-C1549 HydrophobicContact CB-CB 4.38Å | ||
| 1544 | M | 47 | Very low | 54.3 | Low | 114 Ų | 114 | 73.3 Ų | 73.3 | 56% | 0.562 | 38% | 0.384 | S | S | * | . | trans | -57.4 | 82.2 | 176.2 | -79.1 | -166.2 | 170.9 | 0 | 0 | 111.5 | H1542 E1546 G1547 G1548 | H1542-M1544 WeakPolarHBondContact NE2-CA 3.25Å; H1542-M1544 PolarHBondContact O-N 3.11Å; M1544-E1546 PolarHBondContact O-N 2.86Å; M1544-G1547 CarbonylContact O-C 3.58Å; M1544-G1547 VanDerWaalsContact O-C 3.26Å; M1544-G1548 CarbonylContact C-O 3.29Å; M1544-G1548 CarbonylContact O-C 3.56Å; M1544-G1548 PolarHBondContact O-N 3.1Å | ||
| 1545 | N | 41.3 | Very low | 55.6 | Low | 69 Ų | 69 | 71.1 Ų | 71.1 | 37% | 0.369 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 80.7 | 174.1 | -91 | -14.7 | 0 | 0 | 0 | 107.2 | P1543 C1549 | P1543-N1545 PolarHBondContact O-N 3.4Å; N1545-C1549 PolarHBondContact OD1-N 3.01Å |
| 1546 | E | 35.7 | Very low | 56.7 | Low | 152 Ų | 152 | 73.4 Ų | 73.4 | 71% | 0.71 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -171.7 | 9 | 138.3 | -101.6 | -173.4 | -140.5 | 0 | 0 | 113.6 | M1544 K1690 | M1544-E1546 PolarHBondContact O-N 2.86Å; E1546-K1690 IonicContact OE2-NZ 3.77Å |
| 1547 | G | 29.3 | Very low | 57.8 | Low | 24 Ų | 24 | 67.5 Ų | 67.5 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | S | Bend | -151.8 | 113.8 | 101.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1544 Y1688 N1689 | M1544-G1547 CarbonylContact O-C 3.58Å; M1544-G1547 VanDerWaalsContact O-C 3.26Å; G1547-Y1688 CarbonylContact C-O 3.46Å; G1547-Y1688 CarbonylContact O-C 3.6Å; G1547-N1689 VanDerWaalsContact O-CA 3.25Å; G1547-N1689 WeakPolarHBondContact O-CA 3.42Å; G1547-N1689 WeakPolarHBondContact O-CB 3.31Å | |
| 1548 | G | 30.4 | Very low | 58.5 | Low | 12 Ų | 12 | 66 Ų | 66 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 131.8 | 81 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | P1543 M1544 Y1688 | P1543-G1548 CarbonylContact C-O 3.4Å; M1544-G1548 CarbonylContact C-O 3.29Å; M1544-G1548 CarbonylContact O-C 3.56Å; M1544-G1548 PolarHBondContact O-N 3.1Å; G1548-Y1688 WeakPolarHBondContact CA-O 3.43Å; G1548-Y1688 PolarHBondContact N-O 2.92Å |
| 1549 | C | 33.9 | Very low | 59.2 | Low | 35 Ų | 35 | 62.9 Ų | 62.9 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | -165.6 | 56.5 | 72.5 | -64 | 0 | 0 | 0 | 0 | 109.9 | P1543 N1545 E1551 N1610 | P1543-C1549 HydrophobicContact CB-CB 4.38Å; N1545-C1549 PolarHBondContact OD1-N 3.01Å; C1549-E1551 PolarHBondContact O-N 2.9Å; C1549-E1551 VanDerWaalsContact O-N 3.14Å; C1549-N1610 HydrophobicContact CB-CB 4.33Å; C1549-N1610 VanDerWaalsContact SG-CB 3.52Å; C1549-N1610 PolarHBondContact SG-ND2 3.25Å | |||
| 1550 | A | 37.6 | Very low | 59.6 | Low | 90 Ų | 90 | 65.7 Ų | 65.7 | 74% | 0.744 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -57.5 | 118.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | A1552 | A1550-A1552 VanDerWaalsContact C-N 3.3Å; A1550-A1552 VanDerWaalsContact O-CA 3.29Å; A1550-A1552 WeakPolarHBondContact O-CA 3.38Å; A1550-A1552 PolarHBondContact O-N 2.9Å |
| 1551 | E | 41.3 | Very low | 59.7 | Low | 180 Ų | 180 | 60.3 Ų | 60.3 | 84% | 0.841 | 33% | 0.329 | S | S | * | . | trans | -11 | 89.2 | -174 | -89.1 | -175.1 | 153.3 | 0 | 0 | 111 | C1549 V1553 | C1549-E1551 PolarHBondContact O-N 2.9Å; C1549-E1551 VanDerWaalsContact O-N 3.14Å; E1551-V1553 HydrophobicContact CB-CG2 4.21Å; E1551-V1553 WeakPolarHBondContact O-CG2 3.26Å; E1551-V1553 PolarHBondContact O-N 3.09Å | ||
| 1552 | A | 48.5 | Very low | 59.7 | Low | 21 Ų | 21 | 61.8 Ų | 61.8 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | trans | -79.1 | 71 | -168.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | A1550 H1609 N1610 Y1688 | A1550-A1552 VanDerWaalsContact C-N 3.3Å; A1550-A1552 VanDerWaalsContact O-CA 3.29Å; A1550-A1552 WeakPolarHBondContact O-CA 3.38Å; A1550-A1552 PolarHBondContact O-N 2.9Å; A1552-H1609 VanDerWaalsContact O-O 3.07Å; A1552-N1610 HydrophobicContact CB-CB 3.82Å; A1552-Y1688 HydrophobicContact CB-CD2 4.01Å | ||
| 1553 | V | 66.6 | Low | 59.6 | Low | 29 Ų | 29 | 62.5 Ų | 62.5 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | trans | -79.9 | 124.8 | 174.8 | -172.2 | 0 | 0 | 0 | 0 | 105.3 | E1551 K1556 D1608 K1776 | E1551-V1553 HydrophobicContact CB-CG2 4.21Å; E1551-V1553 WeakPolarHBondContact O-CG2 3.26Å; E1551-V1553 PolarHBondContact O-N 3.09Å; V1553-K1556 HydrophobicContact CB-CD 4.18Å; V1553-K1556 HydrophobicContact CG1-CD 4.37Å; V1553-D1608 WeakPolarHBondContact CG1-OD1 3.47Å; V1553-K1776 HydrophobicContact CG1-CD 3.87Å | ||
| 1554 | C | 84.9 | Confident | 59.3 | Low | 11 Ų | 11 | 70.4 Ų | 70.4 | 7% | 0.074 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 150.5 | -179.3 | 62.1 | 0 | 0 | 0 | 0 | 111 | K1556 D1605 D1608 G1694 C1696 | C1554-K1556 VanDerWaalsContact C-N 3.3Å; C1554-K1556 PolarHBondContact O-N 3.11Å; C1554-D1605 HydrophobicContact CB-CB 3.64Å; C1554-D1608 PolarHBondContact N-OD1 3.24Å; C1554-D1608 PolarHBondContact SG-OD1 3.33Å; C1554-G1694 WeakPolarHBondContact CA-O 3.49Å; C1554-C1696 HydrophobicContact CB-CB 3.99Å; C1554-C1696 WeakPolarHBondContact CB-SG 3.05Å; C1554-C1696 PolarHBondContact O-SG 2.91Å; C1554-C1696 WeakPolarHBondContact SG-CA 3.18Å; C1554-C1696 WeakPolarHBondContact SG-CB 3.17Å; C1554-C1696 CovalentContact SG-SG 2.04Å; C1554-C1696 PolarHBondContact SG-SG 3.1Å |
| 1555 | G | 86.8 | Confident | 59.2 | Low | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 17.4 | 173 | 0 | 0 | 0 | 0 | 0 | 116.2 | P1557 G1694 K1776 F1777 | G1555-P1557 WeakPolarHBondContact O-CD 3.35Å; G1555-G1694 PolarHBondContact N-O 2.86Å; G1555-K1776 CarbonylContact O-C 3.57Å; G1555-F1777 WeakPolarHBondContact CA-O 3.49Å; G1555-F1777 PolarHBondContact O-N 3.14Å |
| 1556 | K | 86.4 | Confident | 59.1 | Low | 101 Ų | 101 | 78.7 Ų | 78.7 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | trans | -114 | 86 | 176.1 | -71.6 | -164.3 | 177.1 | 179.6 | 0 | 112.5 | V1553 C1554 Q1693 K1776 | V1553-K1556 HydrophobicContact CB-CD 4.18Å; V1553-K1556 HydrophobicContact CG1-CD 4.37Å; C1554-K1556 VanDerWaalsContact C-N 3.3Å; C1554-K1556 PolarHBondContact O-N 3.11Å; K1556-Q1693 PolarHBondContact O-OE1 3.22Å; K1556-K1776 HydrophobicContact CG-CG 4.18Å | ||
| 1557 | P | 86.2 | Confident | 59.2 | Low | 30 Ų | 30 | 83.5 Ų | 83.5 | 20% | 0.195 | 42% | 0.422 | C | S | . | . | trans | -66.7 | 148.5 | -176.1 | 29.7 | -34.7 | 0 | 0 | 0 | 112.2 | G1555 S1581 P1583 W1584 F1777 | G1555-P1557 WeakPolarHBondContact O-CD 3.35Å; P1557-S1581 WeakPolarHBondContact CB-O 3.45Å; P1557-P1583 HydrophobicContact CB-CG 3.95Å; P1557-W1584 HydrophobicContact CB-CH2 4.19Å; P1557-W1584 HydrophobicContact CB-CZ3 4.24Å; P1557-W1584 HydrophobicContact CG-CH2 3.98Å; P1557-W1584 HydrophobicContact CG-CZ3 4.38Å; P1557-F1777 HydrophobicContact CG-CD2 4.18Å; P1557-F1777 HydrophobicContact CG-CE2 4.08Å | ||
| 1558 | H | 82.8 | Confident | 59.6 | Low | 117 Ų | 117 | 89.3 Ų | 89.3 | 54% | 0.542 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -73.7 | -35.4 | 176 | -172.9 | 71.5 | 0 | 0 | 0 | 112.6 | ||
| 1559 | F | 85.7 | Confident | 59.8 | Low | 64 Ų | 64 | 94.8 Ų | 94.8 | 28% | 0.281 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -103.1 | 123.9 | 177.1 | -54.8 | -77.9 | 0 | 0 | 0 | 109.1 | H1580 S1581 K1690 Y1691 | F1559-H1580 HydrophobicContact CD2-CB 3.77Å; F1559-H1580 HydrophobicContact CE2-CB 3.95Å; F1559-S1581 VanDerWaalsContact O-CA 3.31Å; F1559-S1581 WeakPolarHBondContact O-CA 3.4Å; F1559-S1581 WeakPolarHBondContact O-CB 3.48Å; F1559-K1690 HydrophobicContact CE2-CB 4.45Å; F1559-K1690 WeakPolarHBondContact CE2-O 3.3Å; F1559-Y1691 AromaticContact CE2-CD1 3.98Å; F1559-Y1691 HydrophobicContact CE2-CD1 3.98Å; F1559-Y1691 HydrophobicContact CE2-CE1 4.01Å; F1559-Y1691 HydrophobicContact CZ-CE1 4.14Å |
| 1560 | D | 80.1 | Confident | 59.7 | Low | 111 Ų | 111 | 103.9 Ų | 103.9 | 59% | 0.594 | 50% | 0.504 | S | S | * | . | trans | -67.8 | 130.5 | 178.9 | -166.3 | -33.8 | 0 | 0 | 0 | 110.4 | L1562 | D1560-L1562 PolarHBondContact O-N 3.03Å; D1560-L1562 PolarHBondContact OD1-N 3.06Å; D1560-L1562 VanDerWaalsContact OD1-N 3.09Å | ||
| 1561 | P | 73.4 | Confident | 59.5 | Low | 5 Ų | 5 | 104.4 Ų | 104.4 | 3% | 0.032 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -62.9 | -12.8 | 177.6 | 20 | -29.8 | 0 | 0 | 0 | 115.7 | Q1730 F1777 | P1561-Q1730 PolarHBondContact O-NE2 3.4Å; P1561-F1777 HydrophobicContact CG-CE2 4.39Å; P1561-F1777 HydrophobicContact CG-CZ 4.01Å |
| 1562 | L | 66.8 | Low | 59.5 | Low | 67 Ų | 67 | 102.2 Ų | 102.2 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | trans | -114.8 | 122.3 | 171.9 | -73.9 | -169.9 | 0 | 0 | 0 | 113.9 | D1560 F1575 | D1560-L1562 PolarHBondContact O-N 3.03Å; D1560-L1562 PolarHBondContact OD1-N 3.06Å; D1560-L1562 VanDerWaalsContact OD1-N 3.09Å; L1562-F1575 HydrophobicContact CD2-CE2 4.42Å; L1562-F1575 HydrophobicContact CD2-CZ 3.97Å | ||
| 1563 | P | 53.1 | Low | 59.7 | Low | 62 Ų | 62 | 106 Ų | 106 | 40% | 0.403 | 50% | 0.5 | S | S | . | . | trans | -83 | 132.6 | 164.1 | 27.6 | -22.1 | 0 | 0 | 0 | 110.9 | H1565 K1566 V1578 | P1563-H1565 PolarHBondContact O-N 3.24Å; P1563-K1566 HydrophobicContact CG-CB 4.43Å; P1563-V1578 HydrophobicContact CG-CG2 3.91Å | ||
| 1564 | E | 47.4 | Very low | 59.5 | Low | 185 Ų | 185 | 105.7 Ų | 105.7 | 86% | 0.864 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -8.7 | -173.3 | -82.4 | -172 | 148 | 0 | 0 | 116.5 | ||
| 1565 | H | 44.2 | Very low | 59.2 | Low | 174 Ų | 174 | 108.6 Ų | 108.6 | 81% | 0.806 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.7 | 16.2 | -170.5 | -70.5 | -57 | 0 | 0 | 0 | 118 | P1563 | P1563-H1565 PolarHBondContact O-N 3.24Š|
| 1566 | K | 41.1 | Very low | 59 | Low | 183 Ų | 183 | 112.8 Ų | 112.8 | 80% | 0.796 | 53% | 0.534 | S | S | * | . | trans | -110.1 | 75.9 | 175.5 | -72.8 | -171.7 | 177.5 | 179.9 | 0 | 113 | P1563 | P1563-K1566 HydrophobicContact CG-CB 4.43Š| ||
| 1567 | R | 36.9 | Very low | 58.9 | Low | 253 Ų | 253 | 108.1 Ų | 108.1 | 96% | 0.955 | 51% | 0.514 | S | S | * | . | trans | -89.5 | 14.5 | 167.6 | -85.7 | -168.9 | 178.8 | -165.5 | 0.3 | 114.3 | ||||
| 1568 | N | 37.4 | Very low | 58.9 | Low | 145 Ų | 145 | 108.5 Ų | 108.5 | 78% | 0.775 | 52% | 0.516 | S | S | * | . | trans | -141.5 | 102.1 | -173.9 | -118.1 | -15.6 | 0 | 0 | 0 | 112.1 | ||||
| 1569 | N | 35.3 | Very low | 59.2 | Low | 127 Ų | 127 | 105.7 Ų | 105.7 | 68% | 0.679 | 51% | 0.508 | S | S | * | . | trans | 167 | 103.3 | 147.9 | -82.4 | -18.2 | 0 | 0 | 0 | 106.8 | ||||
| 1570 | R | 30.9 | Very low | 59.4 | Low | 227 Ų | 227 | 104.2 Ų | 104.2 | 86% | 0.857 | 50% | 0.502 | S | S | * | . | 48.9 | 87.6 | 93 | -82.8 | -170.6 | -81.6 | -177.7 | -6.5 | 113.5 | |||||
| 1571 | I | 34.3 | Very low | 59.9 | Low | 100 Ų | 100 | 98.9 Ų | 98.9 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | S | Bend | -178.8 | 144.7 | 121.1 | -86 | 155.3 | 0 | 0 | 0 | 106.9 | H1573 | I1571-H1573 PolarHBondContact O-N 3.35Š| |
| 1572 | L | 40.4 | Very low | 60.9 | Low | 135 Ų | 135 | 98.9 Ų | 98.9 | 71% | 0.707 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -35.1 | 95.4 | -157.1 | -85.1 | 137.6 | 0 | 0 | 0 | 115.5 | G1574 | L1572-G1574 PolarHBondContact O-N 2.04Š|
| 1573 | H | 52.4 | Low | 62.1 | Low | 99 Ų | 99 | 95.9 Ų | 95.9 | 46% | 0.458 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 61.6 | -27.3 | 173.7 | -50.9 | -92.1 | 0 | 0 | 0 | 119.6 | I1571 L1731 N1756 E1757 G1758 | I1571-H1573 PolarHBondContact O-N 3.35Å; H1573-L1731 VanDerWaalsContact C-CD1 3.45Å; H1573-L1731 HydrophobicContact CB-CD1 3.75Å; H1573-L1731 WeakPolarHBondContact O-CD1 3.22Å; H1573-N1756 PolarHBondContact CE1-O 2.86Å; H1573-N1756 PolarHBondContact NE2-O 2.79Å; H1573-E1757 WeakPolarHBondContact CB-O 3.15Å; H1573-E1757 VanDerWaalsContact CG-O 3.28Å; H1573-G1758 PolarHBondContact CD2-N 2.91Å |
| 1574 | G | 63.7 | Low | 64.1 | Low | 24 Ų | 24 | 92.9 Ų | 92.9 | 25% | 0.247 | 44% | 0.438 | C | S | . | . | trans | -89.2 | 162.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1572 Q1730 | L1572-G1574 PolarHBondContact O-N 2.04Å; G1574-Q1730 CarbonylContact C-O 3.52Å; G1574-Q1730 VanDerWaalsContact CA-O 3.3Å; G1574-Q1730 WeakPolarHBondContact CA-O 3.37Å | ||
| 1575 | F | 77.5 | Confident | 66.4 | Low | 71 Ų | 71 | 84.3 Ų | 84.3 | 31% | 0.311 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 162.3 | 171.8 | 57.7 | -80.9 | 0 | 0 | 0 | 111.2 | L1562 A1577 Q1729 Q1730 | L1562-F1575 HydrophobicContact CD2-CE2 4.42Å; L1562-F1575 HydrophobicContact CD2-CZ 3.97Å; F1575-A1577 PolarHBondContact O-N 2.87Å; F1575-Q1729 WeakPolarHBondContact O-CA 3.21Å; F1575-Q1730 HydrophobicContact CD1-CG 4.5Å; F1575-Q1730 HydrophobicContact CD2-CG 4.07Å; F1575-Q1730 HydrophobicContact CE1-CG 4.23Å; F1575-Q1730 HydrophobicContact CE2-CG 3.82Å; F1575-Q1730 HydrophobicContact CG-CG 4.42Å; F1575-Q1730 HydrophobicContact CZ-CG 3.87Å; F1575-Q1730 PolarHBondContact N-O 2.82Å; F1575-Q1730 PolarHBondContact O-N 2.98Å |
| 1576 | E | 82.8 | Confident | 68.8 | Low | 89 Ų | 89 | 76 Ų | 76 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 127.4 | 176.1 | -168.2 | -169 | 162.8 | 0 | 0 | 109.9 | H1646 E1727 | E1576-H1646 IonicContact OE1-CD2 2.79Å; E1576-H1646 IonicContact OE1-CE1 3.07Å; E1576-H1646 IonicContact OE1-NE2 3.31Å; E1576-H1646 PolarHBondContact OE1-NE2 3.14Å; E1576-E1727 HydrophobicContact CG-CB 3.97Å |
| 1577 | A | 85.4 | Confident | 71.3 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 146.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1575 P1579 H1646 L1728 Q1730 | F1575-A1577 PolarHBondContact O-N 2.87Å; A1577-P1579 WeakPolarHBondContact O-CD 3.4Å; A1577-H1646 PolarHBondContact O-CE1 3.07Å; A1577-L1728 HydrophobicContact CB-CB 4.36Å; A1577-L1728 HydrophobicContact CB-CD2 4.13Å; A1577-L1728 HydrophobicContact CB-CG 4.07Å; A1577-L1728 PolarHBondContact N-O 2.05Å; A1577-Q1730 HydrophobicContact CB-CB 4.15Å; A1577-Q1730 HydrophobicContact CB-CG 4.1Å |
| 1578 | V | 86.6 | Confident | 73.9 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 128.7 | 166.3 | 175 | 0 | 0 | 0 | 0 | 107 | P1563 H1580 S1581 | P1563-V1578 HydrophobicContact CG-CG2 3.91Å; V1578-H1580 PolarHBondContact O-N 2.93Å; V1578-H1580 VanDerWaalsContact O-N 3.15Å; V1578-S1581 PolarHBondContact N-OG 2.82Å; V1578-S1581 VanDerWaalsContact O-CB 3.24Å; V1578-S1581 WeakPolarHBondContact O-CB 3.42Å; V1578-S1581 PolarHBondContact O-N 3.35Å; V1578-S1581 PolarHBondContact O-OG 2.6Å |
| 1579 | P | 88.5 | Confident | 76.4 | Confident | 58 Ų | 58 | 50.8 Ų | 50.8 | 38% | 0.377 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 125.7 | -176.5 | -29.7 | 33.8 | 0 | 0 | 0 | 111.9 | A1577 S1581 H1646 | A1577-P1579 WeakPolarHBondContact O-CD 3.4Å; P1579-S1581 PolarHBondContact O-N 2.95Å; P1579-H1646 HydrophobicContact CB-CB 4.38Å |
| 1580 | H | 89.4 | Confident | 78.6 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 15% | 0.148 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 14.7 | -180 | -40.8 | -72.1 | 0 | 0 | 0 | 116.3 | F1559 V1578 H1582 T1654 Y1691 | F1559-H1580 HydrophobicContact CD2-CB 3.77Å; F1559-H1580 HydrophobicContact CE2-CB 3.95Å; V1578-H1580 PolarHBondContact O-N 2.93Å; V1578-H1580 VanDerWaalsContact O-N 3.15Å; H1580-H1582 VanDerWaalsContact C-N 3.27Å; H1580-H1582 PolarHBondContact O-N 3.42Å; H1580-T1654 PolarHBondContact CE1-OG1 2.87Å; H1580-T1654 VanDerWaalsContact CE1-OG1 3.29Å; H1580-Y1691 HydrophobicContact CB-CD1 3.91Å; H1580-Y1691 AromaticContact CD2-CD1 3.61Å; H1580-Y1691 AromaticContact CD2-CE1 4Å; H1580-Y1691 AromaticContact CG-CD1 3.52Å; H1580-Y1691 AromaticContact ND1-CD1 3.86Å |
| 1581 | S | 91.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -71.5 | -17.2 | 175.5 | 57.5 | 0 | 0 | 0 | 0 | 115.1 | P1557 F1559 V1578 P1579 P1583 | P1557-S1581 WeakPolarHBondContact CB-O 3.45Å; F1559-S1581 VanDerWaalsContact O-CA 3.31Å; F1559-S1581 WeakPolarHBondContact O-CA 3.4Å; F1559-S1581 WeakPolarHBondContact O-CB 3.48Å; V1578-S1581 PolarHBondContact N-OG 2.82Å; V1578-S1581 VanDerWaalsContact O-CB 3.24Å; V1578-S1581 WeakPolarHBondContact O-CB 3.42Å; V1578-S1581 PolarHBondContact O-N 3.35Å; V1578-S1581 PolarHBondContact O-OG 2.6Å; P1579-S1581 PolarHBondContact O-N 2.95Å; S1581-P1583 VanDerWaalsContact C-CD 3.42Å; S1581-P1583 VanDerWaalsContact O-CD 3.27Å; S1581-P1583 WeakPolarHBondContact O-CD 3.32Å |
| 1582 | H | 93.1 | Very high | 82.3 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -116.8 | 72 | 173.1 | -66.4 | -86.1 | 0 | 0 | 0 | 110.3 | H1580 W1584 Q1585 T1714 L1728 Q1730 | H1580-H1582 VanDerWaalsContact C-N 3.27Å; H1580-H1582 PolarHBondContact O-N 3.42Å; H1582-W1584 AromaticContact ND1-CZ2 3.83Å; H1582-W1584 AromaticContact ND1-NE1 3.96Å; H1582-W1584 PolarHBondContact O-N 2.95Å; H1582-W1584 VanDerWaalsContact O-N 3.12Å; H1582-Q1585 VanDerWaalsContact O-CB 3.31Å; H1582-Q1585 WeakPolarHBondContact O-CB 3.26Å; H1582-Q1585 PolarHBondContact O-N 2.83Å; H1582-Q1585 VanDerWaalsContact O-N 3.09Å; H1582-T1714 HydrophobicContact CB-CG2 4.41Å; H1582-L1728 HydrophobicContact CB-CD2 4.47Å; H1582-Q1730 PolarHBondContact NE2-OE1 2.88Å |
| 1583 | P | 93.6 | Very high | 83.1 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -10.6 | -168 | 31.1 | -39.2 | 0 | 0 | 0 | 114.3 | P1557 S1581 Y1691 I1692 Q1693 | P1557-P1583 HydrophobicContact CB-CG 3.95Å; S1581-P1583 VanDerWaalsContact C-CD 3.42Å; S1581-P1583 VanDerWaalsContact O-CD 3.27Å; S1581-P1583 WeakPolarHBondContact O-CD 3.32Å; P1583-Y1691 WeakPolarHBondContact CA-O 3.26Å; P1583-Y1691 WeakPolarHBondContact CB-O 3.41Å; P1583-I1692 VanDerWaalsContact O-CA 3.31Å; P1583-I1692 WeakPolarHBondContact O-CA 3.23Å; P1583-Q1693 CarbonylContact C-O 3.49Å; P1583-Q1693 HydrophobicContact CB-CB 4.03Å; P1583-Q1693 HydrophobicContact CB-CG 4.08Å; P1583-Q1693 HydrophobicContact CG-CB 3.84Å; P1583-Q1693 HydrophobicContact CG-CG 4.07Å; P1583-Q1693 PolarHBondContact O-N 2.87Å |
| 1584 | W | 95 | Very high | 83.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.2 | 173.7 | 42.3 | 77.3 | 0 | 0 | 0 | 113.8 | P1557 H1582 A1586 S1602 L1603 Q1693 I1695 A1770 F1777 | P1557-W1584 HydrophobicContact CB-CH2 4.19Å; P1557-W1584 HydrophobicContact CB-CZ3 4.24Å; P1557-W1584 HydrophobicContact CG-CH2 3.98Å; P1557-W1584 HydrophobicContact CG-CZ3 4.38Å; H1582-W1584 AromaticContact ND1-CZ2 3.83Å; H1582-W1584 AromaticContact ND1-NE1 3.96Å; H1582-W1584 PolarHBondContact O-N 2.95Å; H1582-W1584 VanDerWaalsContact O-N 3.12Å; W1584-A1586 PolarHBondContact O-N 3.31Å; W1584-S1602 WeakPolarHBondContact O-CA 3.4Å; W1584-L1603 PolarHBondContact O-N 2.86Å; W1584-Q1693 WeakPolarHBondContact CA-O 3.24Å; W1584-Q1693 WeakPolarHBondContact CB-O 3.42Å; W1584-Q1693 PolarHBondContact N-O 2.85Å; W1584-I1695 HydrophobicContact CB-CB 3.94Å; W1584-I1695 HydrophobicContact CB-CG2 4.35Å; W1584-I1695 HydrophobicContact CD2-CB 3.82Å; W1584-I1695 HydrophobicContact CD2-CD1 4.16Å; W1584-I1695 HydrophobicContact CD2-CG1 4.16Å; W1584-I1695 HydrophobicContact CE3-CB 4.09Å; W1584-I1695 HydrophobicContact CE3-CG1 4.43Å; W1584-I1695 HydrophobicContact CG-CB 3.74Å; W1584-I1695 HydrophobicContact CG-CD1 4.32Å; W1584-I1695 HydrophobicContact CG-CG1 4.44Å; W1584-I1695 HydrophobicContact CG-CG2 4.42Å; W1584-I1695 HydrophobicContact CZ2-CD1 4.4Å; W1584-A1770 HydrophobicContact CZ2-CB 4.43Å; W1584-F1777 HydrophobicContact CH2-CB 3.57Å; W1584-F1777 AromaticContact CH2-CD2 3.62Å; W1584-F1777 HydrophobicContact CH2-CD2 3.62Å; W1584-F1777 HydrophobicContact CH2-CE2 4.46Å; W1584-F1777 AromaticContact CH2-CG 3.69Å; W1584-F1777 HydrophobicContact CH2-CG 3.69Å; W1584-F1777 HydrophobicContact CZ2-CB 3.83Å; W1584-F1777 HydrophobicContact CZ2-CD1 4.44Å; W1584-F1777 HydrophobicContact CZ2-CD2 4.2Å; W1584-F1777 AromaticContact CZ2-CG 3.91Å; W1584-F1777 HydrophobicContact CZ2-CG 3.91Å; W1584-F1777 HydrophobicContact CZ3-CB 4.3Å |
| 1585 | Q | 95.8 | Very high | 83 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 123.5 | -177.6 | -177.1 | 70.1 | 53.2 | 0 | 0 | 111.1 | H1582 T1714 W1716 L1728 P1768 | H1582-Q1585 VanDerWaalsContact O-CB 3.31Å; H1582-Q1585 WeakPolarHBondContact O-CB 3.26Å; H1582-Q1585 PolarHBondContact O-N 2.83Å; H1582-Q1585 VanDerWaalsContact O-N 3.09Å; Q1585-T1714 VanDerWaalsContact OE1-CB 3.31Å; Q1585-T1714 PolarHBondContact OE1-O 3.19Å; Q1585-T1714 PolarHBondContact OE1-OG1 3.16Å; Q1585-W1716 HydrophobicContact CB-CH2 4.43Å; Q1585-W1716 HydrophobicContact CG-CE3 4.48Å; Q1585-W1716 HydrophobicContact CG-CH2 3.41Å; Q1585-W1716 VanDerWaalsContact CG-CH2 3.41Å; Q1585-W1716 HydrophobicContact CG-CZ2 4.36Å; Q1585-W1716 HydrophobicContact CG-CZ3 3.49Å; Q1585-W1716 VanDerWaalsContact CG-CZ3 3.49Å; Q1585-L1728 HydrophobicContact CB-CD2 4.38Å; Q1585-L1728 HydrophobicContact CG-CD1 3.84Å; Q1585-L1728 HydrophobicContact CG-CD2 4.22Å; Q1585-P1768 VanDerWaalsContact OE1-CD 3.23Å |
| 1586 | A | 94.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 153.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | W1584 G1601 V1615 V1641 Y1642 L1643 | W1584-A1586 PolarHBondContact O-N 3.31Å; A1586-G1601 PolarHBondContact N-O 3.31Å; A1586-G1601 PolarHBondContact O-N 2.89Å; A1586-V1615 HydrophobicContact CB-CG1 4.1Å; A1586-V1641 HydrophobicContact CB-CG1 4.05Å; A1586-Y1642 WeakPolarHBondContact CA-O 3.05Å; A1586-L1643 HydrophobicContact CB-CD2 3.56Å; A1586-L1643 HydrophobicContact CB-CG 4.43Å |
| 1587 | V | 93.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.8 | 162.3 | 61.2 | 0 | 0 | 0 | 0 | 109.1 | Y1589 F1598 V1641 Y1642 L1648 W1716 | V1587-Y1589 HydrophobicContact CG1-CD2 4.45Å; V1587-Y1589 HydrophobicContact CG1-CE2 3.92Å; V1587-Y1589 HydrophobicContact CG2-CD2 4.2Å; V1587-Y1589 HydrophobicContact CG2-CE2 3.76Å; V1587-F1598 HydrophobicContact CG2-CB 4.17Å; V1587-F1598 HydrophobicContact CG2-CD2 4.24Å; V1587-V1641 WeakPolarHBondContact O-CA 3.32Å; V1587-Y1642 HydrophobicContact CG1-CD2 4.26Å; V1587-Y1642 HydrophobicContact CG1-CG 4.37Å; V1587-Y1642 PolarHBondContact N-O 3.09Å; V1587-Y1642 PolarHBondContact O-N 3.06Å; V1587-L1648 HydrophobicContact CG1-CD2 4.01Å; V1587-L1648 HydrophobicContact CG2-CD1 4.27Å; V1587-W1716 HydrophobicContact CB-CE3 4.25Å; V1587-W1716 HydrophobicContact CB-CZ3 3.88Å |
| 1588 | V | 91.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 111.6 | -179 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | V1590 F1598 C1599 V1639 V1641 L1680 | V1588-V1590 HydrophobicContact CG1-CG2 3.99Å; V1588-F1598 CarbonylContact O-C 3.47Å; V1588-F1598 VanDerWaalsContact O-CA 3.29Å; V1588-F1598 WeakPolarHBondContact O-CA 3.18Å; V1588-C1599 HydrophobicContact CB-CB 4.41Å; V1588-C1599 PolarHBondContact N-O 3.14Å; V1588-C1599 PolarHBondContact O-N 2.82Å; V1588-V1639 HydrophobicContact CG1-CG1 3.73Å; V1588-V1641 HydrophobicContact CG2-CG2 4.34Å; V1588-L1680 HydrophobicContact CG1-CD1 3.79Å; V1588-L1680 HydrophobicContact CG2-CD1 4.03Å |
| 1589 | Y | 89.2 | Confident | 81.3 | Confident | 50 Ų | 50 | 39.7 Ų | 39.7 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.1 | 172.4 | -74.1 | -79.3 | 0 | 0 | 0 | 110 | V1587 L1596 F1598 V1639 T1640 Y1642 | V1587-Y1589 HydrophobicContact CG1-CD2 4.45Å; V1587-Y1589 HydrophobicContact CG1-CE2 3.92Å; V1587-Y1589 HydrophobicContact CG2-CD2 4.2Å; V1587-Y1589 HydrophobicContact CG2-CE2 3.76Å; Y1589-L1596 HydrophobicContact CD1-CD2 3.46Å; Y1589-L1596 VanDerWaalsContact CD1-CD2 3.46Å; Y1589-L1596 HydrophobicContact CD1-CG 4.01Å; Y1589-L1596 HydrophobicContact CE1-CD2 3.76Å; Y1589-L1596 HydrophobicContact CG-CD2 4.42Å; Y1589-F1598 HydrophobicContact CD1-CB 3.74Å; Y1589-F1598 HydrophobicContact CE1-CB 3.66Å; Y1589-F1598 HydrophobicContact CE1-CG 4.42Å; Y1589-F1598 HydrophobicContact CG-CB 4.49Å; Y1589-V1639 WeakPolarHBondContact O-CA 3.12Å; Y1589-T1640 PolarHBondContact N-O 2.98Å; Y1589-T1640 PolarHBondContact O-N 3.44Å; Y1589-Y1642 AromaticContact CD2-CD2 3.58Å; Y1589-Y1642 HydrophobicContact CD2-CD2 3.58Å; Y1589-Y1642 AromaticContact CD2-CE2 3.58Å; Y1589-Y1642 HydrophobicContact CD2-CE2 3.58Å; Y1589-Y1642 AromaticContact CE2-CD2 3.75Å; Y1589-Y1642 HydrophobicContact CE2-CD2 3.75Å; Y1589-Y1642 AromaticContact CE2-CE2 3.88Å; Y1589-Y1642 HydrophobicContact CE2-CE2 3.88Å |
| 1590 | V | 82.5 | Confident | 81.3 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 117.6 | -178 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | V1588 I1592 S1597 C1621 V1622 A1634 V1639 | V1588-V1590 HydrophobicContact CG1-CG2 3.99Å; V1590-I1592 HydrophobicContact CG1-CD1 3.33Å; V1590-I1592 HydrophobicContact CG1-CG1 3.55Å; V1590-S1597 PolarHBondContact N-O 2.03Å; V1590-S1597 PolarHBondContact O-N 2.96Å; V1590-C1621 WeakPolarHBondContact CG2-O 3.28Å; V1590-V1622 HydrophobicContact CG2-CG1 4.32Å; V1590-A1634 HydrophobicContact CG1-CB 4.11Å; V1590-V1639 HydrophobicContact CG1-CG2 4.39Å; V1590-V1639 HydrophobicContact CG2-CG1 4.2Å; V1590-V1639 HydrophobicContact CG2-CG2 4.16Å |
| 1591 | N | 78 | Confident | 81.5 | Confident | 84 Ų | 84 | 35.4 Ų | 35.4 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | trans | -104.1 | 79.6 | -178.7 | -170.8 | 8.1 | 0 | 0 | 0 | 110.8 | L1596 N1638 | N1591-L1596 HydrophobicContact CB-CD1 4.22Å; N1591-N1638 HydrophobicContact CB-CB 4.49Å; N1591-N1638 PolarHBondContact N-O 2.61Å; N1591-N1638 WeakPolarHBondContact O-CB 3.23Å; N1591-N1638 PolarHBondContact O-ND2 2.89Å | ||
| 1592 | I | 64.6 | Low | 81.7 | Confident | 40 Ų | 40 | 35.4 Ų | 35.4 | 21% | 0.205 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -109.2 | 99.2 | 176.7 | -58.2 | 160.6 | 0 | 0 | 0 | 108.3 | V1590 G1594 D1624 A1634 | V1590-I1592 HydrophobicContact CG1-CD1 3.33Å; V1590-I1592 HydrophobicContact CG1-CG1 3.55Å; I1592-G1594 WeakPolarHBondContact O-CA 3.24Å; I1592-G1594 PolarHBondContact O-N 3.23Å; I1592-D1624 HydrophobicContact CD1-CB 4.29Å; I1592-D1624 HydrophobicContact CG2-CB 4.1Å; I1592-A1634 HydrophobicContact CD1-CB 3.84Å; I1592-A1634 HydrophobicContact CG1-CB 4.04Å |
| 1593 | N | 56.5 | Low | 81.8 | Confident | 153 Ų | 153 | 35.2 Ų | 35.2 | 82% | 0.818 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 32.3 | 39.6 | 165.7 | -68.3 | -27.8 | 0 | 0 | 0 | 117.2 | ||
| 1594 | G | 57.6 | Low | 81.6 | Confident | 40 Ų | 40 | 35.6 Ų | 35.6 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -170.6 | -175.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1592 L1596 | I1592-G1594 WeakPolarHBondContact O-CA 3.24Å; I1592-G1594 PolarHBondContact O-N 3.23Å; G1594-L1596 PolarHBondContact O-N 3.18Å |
| 1595 | P | 55.7 | Low | 81 | Confident | 129 Ų | 129 | 35.7 Ų | 35.7 | 84% | 0.838 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -59.8 | 132.5 | 176.5 | 24.6 | -31.4 | 0 | 0 | 0 | 109.8 | S1597 | P1595-S1597 PolarHBondContact O-N 3.42Š|
| 1596 | L | 56.1 | Low | 79.6 | Confident | 107 Ų | 107 | 42.3 Ų | 42.3 | 56% | 0.56 | 23% | 0.232 | S | C | * | . | trans | -49.6 | 108.4 | 178.6 | -164.6 | 91.5 | 0 | 0 | 0 | 109.7 | Y1589 N1591 G1594 | Y1589-L1596 HydrophobicContact CD1-CD2 3.46Å; Y1589-L1596 VanDerWaalsContact CD1-CD2 3.46Å; Y1589-L1596 HydrophobicContact CD1-CG 4.01Å; Y1589-L1596 HydrophobicContact CE1-CD2 3.76Å; Y1589-L1596 HydrophobicContact CG-CD2 4.42Å; N1591-L1596 HydrophobicContact CB-CD1 4.22Å; G1594-L1596 PolarHBondContact O-N 3.18Å | ||
| 1597 | S | 69.3 | Low | 78.1 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 145.6 | 176.7 | -168.8 | 0 | 0 | 0 | 0 | 109.3 | V1590 P1595 | V1590-S1597 PolarHBondContact N-O 2.03Å; V1590-S1597 PolarHBondContact O-N 2.96Å; P1595-S1597 PolarHBondContact O-N 3.42Å |
| 1598 | F | 82.5 | Confident | 76.5 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 142 | 172.2 | 76.2 | -88.2 | 0 | 0 | 0 | 110.7 | V1587 V1588 Y1589 W1716 | V1587-F1598 HydrophobicContact CG2-CB 4.17Å; V1587-F1598 HydrophobicContact CG2-CD2 4.24Å; V1588-F1598 CarbonylContact O-C 3.47Å; V1588-F1598 VanDerWaalsContact O-CA 3.29Å; V1588-F1598 WeakPolarHBondContact O-CA 3.18Å; Y1589-F1598 HydrophobicContact CD1-CB 3.74Å; Y1589-F1598 HydrophobicContact CE1-CB 3.66Å; Y1589-F1598 HydrophobicContact CE1-CG 4.42Å; Y1589-F1598 HydrophobicContact CG-CB 4.49Å; F1598-W1716 HydrophobicContact CE2-CB 4.22Å |
| 1599 | C | 88.5 | Confident | 75.2 | Confident | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 164.2 | 175.1 | -84.2 | 0 | 0 | 0 | 0 | 110.2 | V1588 C1621 S1765 | V1588-C1599 HydrophobicContact CB-CB 4.41Å; V1588-C1599 PolarHBondContact N-O 3.14Å; V1588-C1599 PolarHBondContact O-N 2.82Å; C1599-C1621 HydrophobicContact CB-CB 3.68Å; C1599-C1621 WeakPolarHBondContact CB-SG 3.41Å; C1599-C1621 WeakPolarHBondContact SG-CB 3.43Å; C1599-C1621 CovalentContact SG-SG 2.04Å; C1599-C1621 PolarHBondContact SG-SG 3.38Å; C1599-S1765 CarbonylContact C-O 3.41Å; C1599-S1765 WeakPolarHBondContact CA-O 3.24Å; C1599-S1765 WeakPolarHBondContact CB-O 3.38Å |
| 1600 | G | 89.9 | Confident | 74.5 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 164.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1617 S1765 G1766 | G1600-T1617 PolarHBondContact O-OG1 2.83Å; G1600-S1765 PolarHBondContact N-O 2.75Å; G1600-G1766 VanDerWaalsContact C-C 3.4Å; G1600-G1766 CarbonylContact C-O 3.6Å; G1600-G1766 CarbonylContact O-C 3.55Å; G1600-G1766 VanDerWaalsContact O-C 3.23Å; G1600-G1766 WeakPolarHBondContact O-CA 3.26Å |
| 1601 | G | 93.2 | Very high | 74.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 169.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1586 L1616 G1766 | A1586-G1601 PolarHBondContact N-O 3.31Å; A1586-G1601 PolarHBondContact O-N 2.89Å; G1601-L1616 CarbonylContact C-O 3.43Å; G1601-L1616 VanDerWaalsContact CA-O 3.22Å; G1601-L1616 WeakPolarHBondContact CA-O 3.16Å; G1601-G1766 VanDerWaalsContact CA-O 3.32Å; G1601-G1766 WeakPolarHBondContact CA-O 3.39Å; G1601-G1766 PolarHBondContact N-O 3.01Å |
| 1602 | S | 94.7 | Very high | 74.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 120.4 | -178.7 | -49.7 | 0 | 0 | 0 | 0 | 110.5 | W1584 I1604 V1615 L1616 P1768 | W1584-S1602 WeakPolarHBondContact O-CA 3.4Å; S1602-I1604 PolarHBondContact O-N 2.89Å; S1602-V1615 CarbonylContact O-C 3.53Å; S1602-V1615 WeakPolarHBondContact O-CA 3.48Å; S1602-L1616 PolarHBondContact N-O 2.97Å; S1602-L1616 PolarHBondContact O-N 2.78Å; S1602-P1768 VanDerWaalsContact OG-CB 3.28Å; S1602-P1768 WeakPolarHBondContact OG-CB 3.13Å |
| 1603 | L | 95.1 | Very high | 75.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 120.1 | 169.5 | -174.1 | 68.6 | 0 | 0 | 0 | 109.1 | W1584 V1615 L1643 V1686 Y1688 I1692 G1694 I1695 | W1584-L1603 PolarHBondContact O-N 2.86Å; L1603-V1615 HydrophobicContact CD1-CG2 4.03Å; L1603-L1643 HydrophobicContact CB-CD2 4.17Å; L1603-L1643 HydrophobicContact CD1-CD1 4.25Å; L1603-L1643 HydrophobicContact CD2-CD1 4.29Å; L1603-V1686 HydrophobicContact CD1-CB 4.3Å; L1603-V1686 HydrophobicContact CD1-CG2 4.13Å; L1603-V1686 HydrophobicContact CD2-CB 4.29Å; L1603-V1686 HydrophobicContact CD2-CG1 3.93Å; L1603-Y1688 HydrophobicContact CD2-CD1 4.17Å; L1603-Y1688 HydrophobicContact CD2-CE1 3.74Å; L1603-Y1688 HydrophobicContact CG-CE1 4.37Å; L1603-I1692 HydrophobicContact CD2-CG2 3.73Å; L1603-G1694 WeakPolarHBondContact O-CA 3.42Å; L1603-I1695 PolarHBondContact O-N 3.22Å |
| 1604 | I | 90.6 | Very high | 77.5 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 138.3 | -174.9 | 51.3 | 161.3 | 0 | 0 | 0 | 112.1 | S1602 S1612 L1614 L1616 I1695 L1697 L1779 | S1602-I1604 PolarHBondContact O-N 2.89Å; I1604-S1612 WeakPolarHBondContact O-CB 3.36Å; I1604-S1612 PolarHBondContact O-OG 3.08Å; I1604-L1614 HydrophobicContact CD1-CB 3.91Å; I1604-L1614 HydrophobicContact CD1-CD1 4.4Å; I1604-L1614 HydrophobicContact CG1-CB 3.75Å; I1604-L1614 VanDerWaalsContact CG1-O 3.3Å; I1604-L1614 WeakPolarHBondContact CG1-O 3.46Å; I1604-L1614 PolarHBondContact N-O 3.28Å; I1604-L1614 VanDerWaalsContact N-O 3.13Å; I1604-L1616 HydrophobicContact CD1-CD1 4.16Å; I1604-L1616 HydrophobicContact CD1-CG 4Å; I1604-L1616 HydrophobicContact CG1-CG 4.49Å; I1604-L1616 HydrophobicContact CG2-CB 4.22Å; I1604-L1616 HydrophobicContact CG2-CD1 3.67Å; I1604-L1616 HydrophobicContact CG2-CG 4Å; I1604-I1695 HydrophobicContact CG2-CG2 4.28Å; I1604-L1697 HydrophobicContact CB-CD1 4.47Å; I1604-L1697 HydrophobicContact CB-CD2 4.48Å; I1604-L1697 HydrophobicContact CB-CG 4.44Å; I1604-L1697 HydrophobicContact CD1-CD1 4.19Å; I1604-L1697 HydrophobicContact CG2-CD2 3.97Å; I1604-L1697 HydrophobicContact CG2-CG 4.44Å; I1604-L1779 HydrophobicContact CG2-CD2 3.93Å |
| 1605 | D | 81.5 | Confident | 79.3 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.9 | 167.9 | -161 | -67.8 | 0 | 0 | 0 | 111.4 | C1554 D1608 H1609 Y1688 I1695 | C1554-D1605 HydrophobicContact CB-CB 3.64Å; D1605-D1608 PolarHBondContact OD1-N 3.08Å; D1605-H1609 PolarHBondContact OD1-N 2.55Å; D1605-H1609 IonicContact OD1-ND1 3.88Å; D1605-H1609 VanDerWaalsContact OD2-C 3.32Å; D1605-H1609 PolarHBondContact OD2-N 3.38Å; D1605-Y1688 HydrophobicContact CB-CE2 4.27Å; D1605-Y1688 WeakPolarHBondContact CB-OH 2.91Å; D1605-Y1688 VanDerWaalsContact CG-OH 3.27Å; D1605-Y1688 WeakPolarHBondContact OD2-CE2 3.33Å; D1605-Y1688 PolarHBondContact OD2-OH 3.47Å; D1605-I1695 PolarHBondContact N-O 3.4Å |
| 1606 | W | 67.1 | Low | 81 | Confident | 143 Ų | 143 | 37 Ų | 37 | 54% | 0.542 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -113.1 | 106.2 | 173.5 | -173.6 | 5.2 | 0 | 0 | 0 | 109.3 | H1609 | W1606-H1609 PolarHBondContact O-CE1 2.97Å; W1606-H1609 PolarHBondContact O-ND1 3.12Å |
| 1607 | N | 63.3 | Low | 82.7 | Confident | 113 Ų | 113 | 32 Ų | 32 | 60% | 0.604 | 16% | 0.164 | S | C | * | . | S | Bend | trans | 85.5 | 38.5 | 178 | -49.8 | -37.9 | 0 | 0 | 0 | 117.6 | H1609 | N1607-H1609 VanDerWaalsContact C-N 3.29Å; N1607-H1609 PolarHBondContact O-N 2.85Å |
| 1608 | D | 59.2 | Low | 83.5 | Confident | 82 Ų | 82 | 28.7 Ų | 28.7 | 44% | 0.439 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 55.1 | 43 | 173.4 | -70 | -46.9 | 0 | 0 | 0 | 112.2 | V1553 C1554 D1605 K1776 | V1553-D1608 WeakPolarHBondContact CG1-OD1 3.47Å; C1554-D1608 PolarHBondContact N-OD1 3.24Å; C1554-D1608 PolarHBondContact SG-OD1 3.33Å; D1605-D1608 PolarHBondContact OD1-N 3.08Å; D1608-K1776 IonicContact OD1-NZ 2.77Å; D1608-K1776 PolarHBondContact OD1-NZ 3.3Å; D1608-K1776 IonicContact OD2-NZ 3.5Å |
| 1609 | H | 64.8 | Low | 83.5 | Confident | 51 Ų | 51 | 26.8 Ų | 26.8 | 24% | 0.236 | 13% | 0.133 | C | C | . | . | trans | -79.6 | 166.3 | 173.3 | -67.2 | 95.2 | 0 | 0 | 0 | 111.4 | R1530 A1552 D1605 W1606 N1607 Y1688 | R1530-H1609 PolarHBondContact NH2-NE2 3.15Å; A1552-H1609 VanDerWaalsContact O-O 3.07Å; D1605-H1609 PolarHBondContact OD1-N 2.55Å; D1605-H1609 IonicContact OD1-ND1 3.88Å; D1605-H1609 VanDerWaalsContact OD2-C 3.32Å; D1605-H1609 PolarHBondContact OD2-N 3.38Å; W1606-H1609 PolarHBondContact O-CE1 2.97Å; W1606-H1609 PolarHBondContact O-ND1 3.12Å; N1607-H1609 VanDerWaalsContact C-N 3.29Å; N1607-H1609 PolarHBondContact O-N 2.85Å; H1609-Y1688 WeakPolarHBondContact O-CE2 3.3Å | ||
| 1610 | N | 73 | Confident | 83.3 | Confident | 39 Ų | 39 | 29.4 Ų | 29.4 | 21% | 0.209 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -95.5 | 5.7 | 175.8 | 61.5 | -0.1 | 0 | 0 | 0 | 113.7 | C1549 A1552 Y1688 | C1549-N1610 HydrophobicContact CB-CB 4.33Å; C1549-N1610 VanDerWaalsContact SG-CB 3.52Å; C1549-N1610 PolarHBondContact SG-ND2 3.25Å; A1552-N1610 HydrophobicContact CB-CB 3.82Å; N1610-Y1688 PolarHBondContact O-N 2.72Å; N1610-Y1688 VanDerWaalsContact O-N 3.08Å |
| 1611 | S | 80.2 | Confident | 83 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 8% | 0.077 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 149.1 | -176.4 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | V1686 | S1611-V1686 CarbonylContact C-O 3.51Å; S1611-V1686 WeakPolarHBondContact CA-O 3.38Å; S1611-V1686 VanDerWaalsContact CB-O 3.24Å; S1611-V1686 WeakPolarHBondContact CB-O 3.41Å |
| 1612 | S | 85.7 | Confident | 82.5 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.063 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 146.9 | 174.8 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | I1604 L1614 V1686 Y1688 | I1604-S1612 WeakPolarHBondContact O-CB 3.36Å; I1604-S1612 PolarHBondContact O-OG 3.08Å; S1612-L1614 PolarHBondContact OG-N 2.94Å; S1612-L1614 VanDerWaalsContact OG-N 3.13Å; S1612-V1686 PolarHBondContact N-O 2.83Å; S1612-V1686 WeakPolarHBondContact O-CA 3.4Å; S1612-V1686 WeakPolarHBondContact O-CB 3.45Å; S1612-V1686 WeakPolarHBondContact O-CG2 3.44Å; S1612-V1686 PolarHBondContact O-N 2.99Å; S1612-Y1688 VanDerWaalsContact CB-OH 3.26Å; S1612-Y1688 WeakPolarHBondContact CB-OH 3.38Å |
| 1613 | D | 88.7 | Confident | 81.5 | Confident | 38 Ų | 38 | 30.5 Ų | 30.5 | 20% | 0.203 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 12.8 | 171.7 | 56.8 | -28 | 0 | 0 | 0 | 111.9 | K1681 L1682 K1685 | D1613-K1681 WeakPolarHBondContact O-CA 3.37Å; D1613-K1681 WeakPolarHBondContact OD2-CE 3.47Å; D1613-L1682 PolarHBondContact O-N 3.44Å; D1613-K1685 HydrophobicContact CB-CG 4.01Å |
| 1614 | L | 91.5 | Very high | 80 | Confident | 42 Ų | 42 | 32.5 Ų | 32.5 | 22% | 0.22 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.3 | -171.3 | -58.6 | 178.6 | 0 | 0 | 0 | 111.6 | I1604 S1612 I1679 K1681 | I1604-L1614 HydrophobicContact CD1-CB 3.91Å; I1604-L1614 HydrophobicContact CD1-CD1 4.4Å; I1604-L1614 HydrophobicContact CG1-CB 3.75Å; I1604-L1614 VanDerWaalsContact CG1-O 3.3Å; I1604-L1614 WeakPolarHBondContact CG1-O 3.46Å; I1604-L1614 PolarHBondContact N-O 3.28Å; I1604-L1614 VanDerWaalsContact N-O 3.13Å; S1612-L1614 PolarHBondContact OG-N 2.94Å; S1612-L1614 VanDerWaalsContact OG-N 3.13Å; L1614-I1679 HydrophobicContact CB-CG2 4.46Å; L1614-I1679 HydrophobicContact CD2-CG2 3.94Å; L1614-K1681 HydrophobicContact CD2-CB 4.45Å; L1614-K1681 HydrophobicContact CD2-CG 4.4Å |
| 1615 | V | 93.7 | Very high | 78.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127.4 | 174.2 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | A1586 S1602 L1603 V1641 I1679 L1680 L1682 | A1586-V1615 HydrophobicContact CB-CG1 4.1Å; S1602-V1615 CarbonylContact O-C 3.53Å; S1602-V1615 WeakPolarHBondContact O-CA 3.48Å; L1603-V1615 HydrophobicContact CD1-CG2 4.03Å; V1615-V1641 HydrophobicContact CG2-CG1 4.32Å; V1615-I1679 WeakPolarHBondContact O-CA 3.4Å; V1615-L1680 HydrophobicContact CB-CB 4.32Å; V1615-L1680 PolarHBondContact N-O 2.97Å; V1615-L1680 PolarHBondContact O-N 3.2Å; V1615-L1682 HydrophobicContact CG2-CD1 4.01Å; V1615-L1682 HydrophobicContact CG2-CD2 4.36Å; V1615-L1682 HydrophobicContact CG2-CG 4.36Å |
| 1616 | L | 91.6 | Very high | 76.8 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 136.8 | 170.2 | -84.2 | 176.7 | 0 | 0 | 0 | 110.6 | G1601 S1602 I1604 I1677 A1678 I1679 L1697 L1779 I1782 | G1601-L1616 CarbonylContact C-O 3.43Å; G1601-L1616 VanDerWaalsContact CA-O 3.22Å; G1601-L1616 WeakPolarHBondContact CA-O 3.16Å; S1602-L1616 PolarHBondContact N-O 2.97Å; S1602-L1616 PolarHBondContact O-N 2.78Å; I1604-L1616 HydrophobicContact CD1-CD1 4.16Å; I1604-L1616 HydrophobicContact CD1-CG 4Å; I1604-L1616 HydrophobicContact CG1-CG 4.49Å; I1604-L1616 HydrophobicContact CG2-CB 4.22Å; I1604-L1616 HydrophobicContact CG2-CD1 3.67Å; I1604-L1616 HydrophobicContact CG2-CG 4Å; L1616-I1677 HydrophobicContact CD2-CD1 3.82Å; L1616-I1677 HydrophobicContact CD2-CG1 3.77Å; L1616-A1678 WeakPolarHBondContact CA-O 3.36Å; L1616-I1679 HydrophobicContact CD2-CD1 4.45Å; L1616-I1679 HydrophobicContact CD2-CG1 3.48Å; L1616-I1679 VanDerWaalsContact CD2-CG1 3.48Å; L1616-I1679 HydrophobicContact CG-CG1 4.48Å; L1616-L1697 HydrophobicContact CD1-CD2 4.13Å; L1616-L1779 HydrophobicContact CD1-CD2 3.87Å; L1616-I1782 HydrophobicContact CB-CD1 3.91Å; L1616-I1782 HydrophobicContact CD1-CD1 4.2Å; L1616-I1782 HydrophobicContact CD2-CD1 4.19Å; L1616-I1782 HydrophobicContact CG-CD1 4.34Å |
| 1617 | T | 91.5 | Very high | 75.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | -176.3 | 173.6 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | G1600 I1677 A1678 L1680 | G1600-T1617 PolarHBondContact O-OG1 2.83Å; T1617-I1677 CarbonylContact O-C 3.56Å; T1617-I1677 WeakPolarHBondContact O-CA 3.3Å; T1617-A1678 HydrophobicContact CG2-CB 4.17Å; T1617-A1678 PolarHBondContact N-O 2.96Å; T1617-A1678 PolarHBondContact O-N 3.31Å; T1617-L1680 HydrophobicContact CG2-CD1 3.96Å; T1617-L1680 HydrophobicContact CG2-CD2 4.45Å; T1617-L1680 HydrophobicContact CG2-CG 4.04Å |
| 1618 | A | 86.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -81.8 | 146.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | H1620 C1621 | A1618-H1620 VanDerWaalsContact C-N 3.33Å; A1618-H1620 PolarHBondContact O-N 3.28Å; A1618-C1621 WeakPolarHBondContact O-CB 3.34Å; A1618-C1621 PolarHBondContact O-N 3.24Å | ||
| 1619 | A | 82.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.8 | -40.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | C1621 V1622 I1623 F1668 D1676 A1678 | A1619-C1621 PolarHBondContact O-N 3.06Å; A1619-V1622 WeakPolarHBondContact O-CG2 3.25Å; A1619-V1622 PolarHBondContact O-N 3.1Å; A1619-I1623 HydrophobicContact CB-CD1 3.9Å; A1619-I1623 WeakPolarHBondContact O-CD1 3.28Å; A1619-I1623 VanDerWaalsContact O-CG1 3.25Å; A1619-I1623 WeakPolarHBondContact O-CG1 3.18Å; A1619-I1623 PolarHBondContact O-N 3.37Å; A1619-F1668 HydrophobicContact CB-CB 3.79Å; A1619-F1668 HydrophobicContact CB-CD2 3.92Å; A1619-F1668 HydrophobicContact CB-CG 3.95Å; A1619-D1676 WeakPolarHBondContact CA-OD1 3.28Å; A1619-D1676 WeakPolarHBondContact CB-OD1 2.93Å; A1619-D1676 PolarHBondContact N-OD1 2.85Å; A1619-A1678 HydrophobicContact CB-CB 4.5Å |
| 1620 | H | 83.7 | Confident | 73.2 | Confident | 65 Ų | 65 | 53 Ų | 53 | 30% | 0.301 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -61.6 | -18.4 | -179.6 | 77.2 | -100.9 | 0 | 0 | 0 | 113.5 | A1618 V1622 F1668 D1676 S1765 S1784 | A1618-H1620 VanDerWaalsContact C-N 3.33Å; A1618-H1620 PolarHBondContact O-N 3.28Å; H1620-V1622 VanDerWaalsContact C-N 3.32Å; H1620-F1668 HydrophobicContact CB-CE2 4.44Å; H1620-F1668 HydrophobicContact CB-CZ 4.33Å; H1620-D1676 IonicContact CE1-OD2 3.39Å; H1620-D1676 PolarHBondContact CE1-OD2 2.97Å; H1620-D1676 IonicContact CG-OD1 3.7Å; H1620-D1676 IonicContact CG-OD2 3.53Å; H1620-D1676 PolarHBondContact N-OD1 2.94Å; H1620-D1676 IonicContact ND1-OD1 3.81Å; H1620-D1676 PolarHBondContact ND1-OD1 3.43Å; H1620-D1676 IonicContact ND1-OD2 3.71Å; H1620-D1676 PolarHBondContact ND1-OD2 2.82Å; H1620-S1765 WeakPolarHBondContact NE2-CB 3.4Å; H1620-S1765 PolarHBondContact NE2-OG 3.48Å; H1620-S1784 PolarHBondContact CE1-O 2.77Å |
| 1621 | C | 84.4 | Confident | 72 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 8% | 0.081 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -72 | -25.2 | 175.6 | -70.9 | 0 | 0 | 0 | 0 | 113.3 | V1590 C1599 A1618 A1619 | V1590-C1621 WeakPolarHBondContact CG2-O 3.28Å; C1599-C1621 HydrophobicContact CB-CB 3.68Å; C1599-C1621 WeakPolarHBondContact CB-SG 3.41Å; C1599-C1621 WeakPolarHBondContact SG-CB 3.43Å; C1599-C1621 CovalentContact SG-SG 2.04Å; C1599-C1621 PolarHBondContact SG-SG 3.38Å; A1618-C1621 WeakPolarHBondContact O-CB 3.34Å; A1618-C1621 PolarHBondContact O-N 3.24Å; A1619-C1621 PolarHBondContact O-N 3.06Å |
| 1622 | V | 82.2 | Confident | 71.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -119.8 | 10.3 | -173.4 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | V1590 A1619 H1620 L1633 A1634 I1663 A1678 L1680 | V1590-V1622 HydrophobicContact CG2-CG1 4.32Å; A1619-V1622 WeakPolarHBondContact O-CG2 3.25Å; A1619-V1622 PolarHBondContact O-N 3.1Å; H1620-V1622 VanDerWaalsContact C-N 3.32Å; V1622-L1633 HydrophobicContact CG2-CD2 4.37Å; V1622-L1633 CarbonylContact O-C 3.55Å; V1622-L1633 WeakPolarHBondContact O-CA 3.04Å; V1622-A1634 PolarHBondContact O-N 2.9Å; V1622-I1663 HydrophobicContact CB-CD1 4.3Å; V1622-I1663 HydrophobicContact CB-CG2 4.02Å; V1622-I1663 HydrophobicContact CG1-CD1 4.49Å; V1622-I1663 HydrophobicContact CG2-CG2 3.66Å; V1622-A1678 HydrophobicContact CG2-CB 3.89Å; V1622-L1680 HydrophobicContact CG1-CD2 4.05Å |
| 1623 | I | 74.1 | Confident | 70.1 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -97.8 | 129.6 | 176.3 | -76.1 | 167.4 | 0 | 0 | 0 | 109.2 | A1619 T1625 V1631 L1633 F1668 | A1619-I1623 HydrophobicContact CB-CD1 3.9Å; A1619-I1623 WeakPolarHBondContact O-CD1 3.28Å; A1619-I1623 VanDerWaalsContact O-CG1 3.25Å; A1619-I1623 WeakPolarHBondContact O-CG1 3.18Å; A1619-I1623 PolarHBondContact O-N 3.37Å; I1623-T1625 HydrophobicContact CG2-CG2 4.31Å; I1623-T1625 PolarHBondContact O-N 2.86Å; I1623-V1631 HydrophobicContact CB-CG1 3.97Å; I1623-V1631 HydrophobicContact CD1-CG1 3.71Å; I1623-V1631 HydrophobicContact CG1-CG1 3.65Å; I1623-V1631 HydrophobicContact CG2-CG1 3.15Å; I1623-L1633 HydrophobicContact CG1-CD2 4.15Å; I1623-F1668 HydrophobicContact CD1-CB 4.05Å; I1623-F1668 HydrophobicContact CD1-CD1 3.26Å; I1623-F1668 HydrophobicContact CD1-CE1 3.76Å; I1623-F1668 HydrophobicContact CD1-CG 3.7Å |
| 1624 | D | 64.1 | Low | 69.4 | Low | 42 Ų | 42 | 57 Ų | 57 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | trans | -83.6 | 98.4 | 171 | -176.4 | -2.6 | 0 | 0 | 0 | 110.1 | I1592 K1626 G1627 P1632 | I1592-D1624 HydrophobicContact CD1-CB 4.29Å; I1592-D1624 HydrophobicContact CG2-CB 4.1Å; D1624-K1626 PolarHBondContact O-N 3.43Å; D1624-K1626 PolarHBondContact OD1-N 2.78Å; D1624-G1627 PolarHBondContact O-N 2.98Å; D1624-P1632 HydrophobicContact CB-CB 4.15Å; D1624-P1632 HydrophobicContact CB-CG 4.23Å; D1624-P1632 WeakPolarHBondContact CB-O 3.42Å; D1624-P1632 PolarHBondContact N-O 3.18Å; D1624-P1632 WeakPolarHBondContact O-CD 3.44Å | ||
| 1625 | T | 55.2 | Low | 68.8 | Low | 107 Ų | 107 | 58.5 Ų | 58.5 | 66% | 0.656 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 2.3 | -176.6 | 50.3 | 0 | 0 | 0 | 0 | 115.1 | I1623 | I1623-T1625 HydrophobicContact CG2-CG2 4.31Å; I1623-T1625 PolarHBondContact O-N 2.86Å |
| 1626 | K | 50.4 | Low | 68.3 | Low | 173 Ų | 173 | 60.2 Ų | 60.2 | 75% | 0.752 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -6.8 | 177.8 | -71 | -173.8 | 179.1 | 175.4 | 0 | 115.2 | D1624 | D1624-K1626 PolarHBondContact O-N 3.43Å; D1624-K1626 PolarHBondContact OD1-N 2.78Å |
| 1627 | G | 42.9 | Very low | 67.8 | Low | 34 Ų | 34 | 67.4 Ų | 67.4 | 35% | 0.351 | 35% | 0.354 | S | S | . | . | trans | -87.2 | 117.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | D1624 V1629 | D1624-G1627 PolarHBondContact O-N 2.98Å; G1627-V1629 PolarHBondContact O-N 3.45Å | ||
| 1628 | K | 43.3 | Very low | 67.5 | Low | 210 Ų | 210 | 70.4 Ų | 70.4 | 91% | 0.913 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -82.9 | 7.7 | -171.4 | -84.9 | -170.4 | 175.2 | -177 | 0 | 117.5 | ||
| 1629 | V | 47.8 | Very low | 67.6 | Low | 142 Ų | 142 | 70.5 Ų | 70.5 | 86% | 0.861 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -142.4 | -32.8 | -174.3 | -172 | 0 | 0 | 0 | 0 | 114.9 | G1627 | G1627-V1629 PolarHBondContact O-N 3.45Š|
| 1630 | E | 42.9 | Very low | 68 | Low | 167 Ų | 167 | 72 Ų | 72 | 78% | 0.78 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -136.8 | 132.6 | 169.4 | -71.6 | 179.6 | 162.7 | 0 | 0 | 105.5 | P1632 | E1630-P1632 WeakPolarHBondContact O-CD 3.39Å; E1630-P1632 WeakPolarHBondContact O-CG 3.27Å |
| 1631 | V | 49.4 | Very low | 68.5 | Low | 66 Ų | 66 | 68.9 Ų | 68.9 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | trans | -58.4 | 96.4 | -178.1 | -166.3 | 0 | 0 | 0 | 0 | 108 | I1623 L1633 | I1623-V1631 HydrophobicContact CB-CG1 3.97Å; I1623-V1631 HydrophobicContact CD1-CG1 3.71Å; I1623-V1631 HydrophobicContact CG1-CG1 3.65Å; I1623-V1631 HydrophobicContact CG2-CG1 3.15Å; V1631-L1633 PolarHBondContact O-N 2.81Å | ||
| 1632 | P | 60 | Low | 69 | Low | 42 Ų | 42 | 70.5 Ų | 70.5 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 123.9 | -173.5 | -0 | 15.9 | 0 | 0 | 0 | 107.1 | D1624 E1630 | D1624-P1632 HydrophobicContact CB-CB 4.15Å; D1624-P1632 HydrophobicContact CB-CG 4.23Å; D1624-P1632 WeakPolarHBondContact CB-O 3.42Å; D1624-P1632 PolarHBondContact N-O 3.18Å; D1624-P1632 WeakPolarHBondContact O-CD 3.44Å; E1630-P1632 WeakPolarHBondContact O-CD 3.39Å; E1630-P1632 WeakPolarHBondContact O-CG 3.27Å |
| 1633 | L | 65.9 | Low | 69.6 | Low | 68 Ų | 68 | 70.6 Ų | 70.6 | 36% | 0.356 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -72.2 | 150.2 | 169.4 | -65.6 | 162 | 0 | 0 | 0 | 109 | V1622 I1623 V1631 N1635 I1663 P1665 | V1622-L1633 HydrophobicContact CG2-CD2 4.37Å; V1622-L1633 CarbonylContact O-C 3.55Å; V1622-L1633 WeakPolarHBondContact O-CA 3.04Å; I1623-L1633 HydrophobicContact CG1-CD2 4.15Å; V1631-L1633 PolarHBondContact O-N 2.81Å; L1633-N1635 PolarHBondContact O-N 3.01Å; L1633-I1663 HydrophobicContact CD2-CG2 4.09Å; L1633-P1665 HydrophobicContact CD1-CG 3.63Å; L1633-P1665 HydrophobicContact CD2-CB 3.71Å; L1633-P1665 HydrophobicContact CD2-CG 3.56Å; L1633-P1665 HydrophobicContact CG-CG 4.09Å |
| 1634 | A | 73.2 | Confident | 70.4 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 138.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V1590 I1592 V1622 P1636 V1639 I1663 | V1590-A1634 HydrophobicContact CG1-CB 4.11Å; I1592-A1634 HydrophobicContact CD1-CB 3.84Å; I1592-A1634 HydrophobicContact CG1-CB 4.04Å; V1622-A1634 PolarHBondContact O-N 2.9Å; A1634-P1636 WeakPolarHBondContact O-CD 3.36Å; A1634-V1639 HydrophobicContact CB-CG2 3.68Å; A1634-I1663 HydrophobicContact CB-CD1 4.08Å; A1634-I1663 VanDerWaalsContact O-CD1 3.28Å; A1634-I1663 WeakPolarHBondContact O-CD1 3.49Å |
| 1635 | N | 78.8 | Confident | 71.7 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -58 | 128.5 | 165.9 | -178.7 | -5.4 | 0 | 0 | 0 | 107.7 | L1633 E1637 N1638 | L1633-N1635 PolarHBondContact O-N 3.01Å; N1635-E1637 PolarHBondContact ND2-OE2 3.3Å; N1635-E1637 VanDerWaalsContact ND2-OE2 3.16Å; N1635-E1637 PolarHBondContact O-N 3.02Å; N1635-E1637 PolarHBondContact OD1-N 2.51Å; N1635-N1638 WeakPolarHBondContact O-CA 3.3Å; N1635-N1638 WeakPolarHBondContact O-CB 3.1Å; N1635-N1638 PolarHBondContact O-N 2.74Å |
| 1636 | P | 82.8 | Confident | 73.5 | Confident | 35 Ų | 35 | 64 Ų | 64 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -46.9 | -35 | 176.6 | -29.5 | 32.3 | 0 | 0 | 0 | 114.3 | A1634 N1638 V1639 V1660 I1663 | A1634-P1636 WeakPolarHBondContact O-CD 3.36Å; P1636-N1638 PolarHBondContact O-N 3.28Å; P1636-V1639 PolarHBondContact O-N 3.13Å; P1636-V1660 CarbonylContact C-O 3.53Å; P1636-V1660 HydrophobicContact CB-CG1 4.31Å; P1636-V1660 VanDerWaalsContact CB-O 3.3Å; P1636-V1660 WeakPolarHBondContact CB-O 3.36Å; P1636-I1663 HydrophobicContact CB-CG1 4.48Å; P1636-I1663 HydrophobicContact CG-CG1 4.21Å |
| 1637 | E | 82.5 | Confident | 75.4 | Confident | 160 Ų | 160 | 56.4 Ų | 56.4 | 75% | 0.748 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -62.6 | -26.5 | 177.3 | -62.1 | 178.5 | 154.5 | 0 | 0 | 113.7 | N1635 V1639 | N1635-E1637 PolarHBondContact ND2-OE2 3.3Å; N1635-E1637 VanDerWaalsContact ND2-OE2 3.16Å; N1635-E1637 PolarHBondContact O-N 3.02Å; N1635-E1637 PolarHBondContact OD1-N 2.51Å; E1637-V1639 VanDerWaalsContact C-N 3.3Å |
| 1638 | N | 84.9 | Confident | 77.4 | Confident | 64 Ų | 64 | 56.2 Ų | 56.2 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -86.1 | -1.5 | 177 | -69.7 | -12.4 | 0 | 0 | 0 | 112.9 | N1591 N1635 P1636 | N1591-N1638 HydrophobicContact CB-CB 4.49Å; N1591-N1638 PolarHBondContact N-O 2.61Å; N1591-N1638 WeakPolarHBondContact O-CB 3.23Å; N1591-N1638 PolarHBondContact O-ND2 2.89Å; N1635-N1638 WeakPolarHBondContact O-CA 3.3Å; N1635-N1638 WeakPolarHBondContact O-CB 3.1Å; N1635-N1638 PolarHBondContact O-N 2.74Å; P1636-N1638 PolarHBondContact O-N 3.28Å |
| 1639 | V | 89.3 | Confident | 79.3 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.7 | -179.4 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | V1588 Y1589 V1590 A1634 P1636 E1637 V1660 I1663 L1680 | V1588-V1639 HydrophobicContact CG1-CG1 3.73Å; Y1589-V1639 WeakPolarHBondContact O-CA 3.12Å; V1590-V1639 HydrophobicContact CG1-CG2 4.39Å; V1590-V1639 HydrophobicContact CG2-CG1 4.2Å; V1590-V1639 HydrophobicContact CG2-CG2 4.16Å; A1634-V1639 HydrophobicContact CB-CG2 3.68Å; P1636-V1639 PolarHBondContact O-N 3.13Å; E1637-V1639 VanDerWaalsContact C-N 3.3Å; V1639-V1660 HydrophobicContact CB-CB 4.2Å; V1639-V1660 HydrophobicContact CB-CG2 4.07Å; V1639-V1660 HydrophobicContact CG1-CB 4.37Å; V1639-V1660 HydrophobicContact CG1-CG2 3.72Å; V1639-I1663 HydrophobicContact CB-CD1 4.41Å; V1639-I1663 HydrophobicContact CG2-CD1 3.66Å; V1639-L1680 HydrophobicContact CG1-CD1 4.33Å |
| 1640 | T | 90.7 | Very high | 80.8 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 18% | 0.184 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 132.7 | 177.4 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | Y1589 Y1642 K1657 | Y1589-T1640 PolarHBondContact N-O 2.98Å; Y1589-T1640 PolarHBondContact O-N 3.44Å; T1640-Y1642 HydrophobicContact CG2-CD2 4Å; T1640-Y1642 HydrophobicContact CG2-CE2 3.41Å; T1640-Y1642 VanDerWaalsContact CG2-CE2 3.41Å; T1640-K1657 HydrophobicContact CG2-CD 4.07Å; T1640-K1657 HydrophobicContact CG2-CG 3.61Å |
| 1641 | V | 94.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.3 | 175.6 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | A1586 V1587 V1588 V1615 L1643 Y1658 V1660 L1680 L1682 | A1586-V1641 HydrophobicContact CB-CG1 4.05Å; V1587-V1641 WeakPolarHBondContact O-CA 3.32Å; V1588-V1641 HydrophobicContact CG2-CG2 4.34Å; V1615-V1641 HydrophobicContact CG2-CG1 4.32Å; V1641-L1643 HydrophobicContact CG1-CG 4.36Å; V1641-Y1658 PolarHBondContact N-O 2.73Å; V1641-Y1658 PolarHBondContact O-N 3.08Å; V1641-V1660 HydrophobicContact CG2-CG2 3.78Å; V1641-L1680 HydrophobicContact CG2-CD1 3.98Å; V1641-L1682 HydrophobicContact CB-CD2 3.94Å; V1641-L1682 HydrophobicContact CG1-CD2 4.38Å; V1641-L1682 HydrophobicContact CG2-CD2 3.88Å |
| 1642 | Y | 94.2 | Very high | 84.3 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 18% | 0.184 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.4 | 166.7 | -60.1 | -101.8 | 0 | 0 | 0 | 111.1 | A1586 V1587 Y1589 T1640 R1655 E1656 K1657 | A1586-Y1642 WeakPolarHBondContact CA-O 3.05Å; V1587-Y1642 HydrophobicContact CG1-CD2 4.26Å; V1587-Y1642 HydrophobicContact CG1-CG 4.37Å; V1587-Y1642 PolarHBondContact N-O 3.09Å; V1587-Y1642 PolarHBondContact O-N 3.06Å; Y1589-Y1642 AromaticContact CD2-CD2 3.58Å; Y1589-Y1642 HydrophobicContact CD2-CD2 3.58Å; Y1589-Y1642 AromaticContact CD2-CE2 3.58Å; Y1589-Y1642 HydrophobicContact CD2-CE2 3.58Å; Y1589-Y1642 AromaticContact CE2-CD2 3.75Å; Y1589-Y1642 HydrophobicContact CE2-CD2 3.75Å; Y1589-Y1642 AromaticContact CE2-CE2 3.88Å; Y1589-Y1642 HydrophobicContact CE2-CE2 3.88Å; T1640-Y1642 HydrophobicContact CG2-CD2 4Å; T1640-Y1642 HydrophobicContact CG2-CE2 3.41Å; T1640-Y1642 VanDerWaalsContact CG2-CE2 3.41Å; Y1642-R1655 HydrophobicContact CD1-CG 3.88Å; Y1642-R1655 HydrophobicContact CG-CG 4.47Å; Y1642-E1656 VanDerWaalsContact CA-O 3.27Å; Y1642-E1656 WeakPolarHBondContact CA-O 3.49Å; Y1642-K1657 HydrophobicContact CD1-CB 3.79Å; Y1642-K1657 HydrophobicContact CD1-CG 4.14Å; Y1642-K1657 HydrophobicContact CE1-CB 3.53Å; Y1642-K1657 HydrophobicContact CE1-CD 3.99Å; Y1642-K1657 HydrophobicContact CE1-CG 3.6Å; Y1642-K1657 HydrophobicContact CE2-CG 4.43Å |
| 1643 | L | 94.7 | Very high | 85.2 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 156 | 178.2 | -70.5 | 163.9 | 0 | 0 | 0 | 109.9 | A1586 L1603 V1641 A1645 R1655 E1656 Y1658 L1682 V1686 I1692 | A1586-L1643 HydrophobicContact CB-CD2 3.56Å; A1586-L1643 HydrophobicContact CB-CG 4.43Å; L1603-L1643 HydrophobicContact CB-CD2 4.17Å; L1603-L1643 HydrophobicContact CD1-CD1 4.25Å; L1603-L1643 HydrophobicContact CD2-CD1 4.29Å; V1641-L1643 HydrophobicContact CG1-CG 4.36Å; L1643-A1645 VanDerWaalsContact C-N 3.34Å; L1643-A1645 PolarHBondContact O-N 3.38Å; L1643-R1655 WeakPolarHBondContact O-CA 3.48Å; L1643-E1656 PolarHBondContact N-O 3.42Å; L1643-E1656 PolarHBondContact O-N 3.42Å; L1643-Y1658 HydrophobicContact CD1-CD2 4.21Å; L1643-Y1658 HydrophobicContact CD1-CE2 4.23Å; L1643-L1682 HydrophobicContact CD1-CD1 4.47Å; L1643-V1686 HydrophobicContact CD1-CB 4.33Å; L1643-V1686 HydrophobicContact CD1-CG1 3.84Å; L1643-V1686 HydrophobicContact CD1-CG2 3.6Å; L1643-I1692 HydrophobicContact CB-CD1 3.79Å; L1643-I1692 HydrophobicContact CB-CG1 4.14Å; L1643-I1692 HydrophobicContact CB-CG2 4.09Å; L1643-I1692 HydrophobicContact CD1-CG2 4.26Å |
| 1644 | G | 91.9 | Very high | 86.2 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 78 | 11.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | T1654 | G1644-T1654 CarbonylContact C-O 3.39Å; G1644-T1654 WeakPolarHBondContact CA-O 3.46Å; G1644-T1654 CarbonylContact O-C 3.49Å; G1644-T1654 VanDerWaalsContact O-CB 3.31Å; G1644-T1654 WeakPolarHBondContact O-CB 3.46Å; G1644-T1654 PolarHBondContact O-OG1 3.09Å |
| 1645 | A | 91.3 | Very high | 87 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | trans | -90.4 | 144.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1643 L1648 E1652 R1655 W1716 | L1643-A1645 VanDerWaalsContact C-N 3.34Å; L1643-A1645 PolarHBondContact O-N 3.38Å; A1645-L1648 HydrophobicContact CB-CD2 3.97Å; A1645-E1652 VanDerWaalsContact CA-OE2 3.3Å; A1645-E1652 WeakPolarHBondContact CA-OE2 3.3Å; A1645-R1655 HydrophobicContact CB-CB 4.22Å; A1645-R1655 HydrophobicContact CB-CG 3.98Å; A1645-W1716 WeakPolarHBondContact O-CZ2 3.32Å | ||
| 1646 | H | 91.9 | Very high | 87.5 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -108.6 | -50.5 | 164.8 | -179.1 | 63 | 0 | 0 | 0 | 110.5 | E1576 A1577 P1579 E1652 W1716 E1727 L1728 | E1576-H1646 IonicContact OE1-CD2 2.79Å; E1576-H1646 IonicContact OE1-CE1 3.07Å; E1576-H1646 IonicContact OE1-NE2 3.31Å; E1576-H1646 PolarHBondContact OE1-NE2 3.14Å; A1577-H1646 PolarHBondContact O-CE1 3.07Å; P1579-H1646 HydrophobicContact CB-CB 4.38Å; H1646-E1652 PolarHBondContact N-OE2 2.9Å; H1646-W1716 PolarHBondContact O-NE1 2.84Å; H1646-E1727 CarbonylContact O-C 3.58Å; H1646-E1727 WeakPolarHBondContact O-CA 3.34Å; H1646-L1728 PolarHBondContact O-N 2.99Å |
| 1647 | N | 90.6 | Very high | 88 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -108.5 | 103.2 | -179.9 | -168.9 | -31.1 | 0 | 0 | 0 | 112.4 | K1649 R1650 E1652 G1726 E1727 | N1647-K1649 PolarHBondContact O-N 3.24Å; N1647-K1649 WeakPolarHBondContact OD1-CB 3.11Å; N1647-K1649 PolarHBondContact OD1-N 3.3Å; N1647-R1650 PolarHBondContact O-N 3.16Å; N1647-R1650 VanDerWaalsContact O-N 3.1Å; N1647-E1652 VanDerWaalsContact CB-OE1 3.31Å; N1647-E1652 WeakPolarHBondContact CB-OE1 2.91Å; N1647-E1652 PolarHBondContact N-OE1 2.74Å; N1647-G1726 CarbonylContact C-O 3.51Å; N1647-G1726 VanDerWaalsContact CA-O 3.32Å; N1647-G1726 WeakPolarHBondContact CA-O 3.34Å; N1647-E1727 HydrophobicContact CB-CG 4.18Å; N1647-E1727 PolarHBondContact ND2-OE1 3.23Å |
| 1648 | L | 84.7 | Confident | 88.5 | Confident | 30 Ų | 30 | 53 Ų | 53 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -16.1 | -179.6 | -65.2 | -177 | 0 | 0 | 0 | 114.5 | V1587 A1645 R1650 W1716 G1726 | V1587-L1648 HydrophobicContact CG1-CD2 4.01Å; V1587-L1648 HydrophobicContact CG2-CD1 4.27Å; A1645-L1648 HydrophobicContact CB-CD2 3.97Å; L1648-R1650 VanDerWaalsContact C-N 3.28Å; L1648-W1716 HydrophobicContact CD1-CB 3.77Å; L1648-W1716 HydrophobicContact CD1-CD2 3.56Å; L1648-W1716 HydrophobicContact CD1-CE3 4.07Å; L1648-W1716 HydrophobicContact CD1-CG 3.42Å; L1648-W1716 VanDerWaalsContact CD1-CG 3.42Å; L1648-W1716 HydrophobicContact CD2-CZ2 4.37Å; L1648-W1716 HydrophobicContact CG-CD2 3.96Å; L1648-W1716 HydrophobicContact CG-CG 3.93Å; L1648-W1716 HydrophobicContact CG-CZ2 4.42Å; L1648-G1726 PolarHBondContact N-O 3.07Å |
| 1649 | K | 83.1 | Confident | 88.7 | Confident | 147 Ų | 147 | 53 Ų | 53 | 64% | 0.639 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -15.5 | 174.9 | -63.6 | 171.4 | -179.6 | 160.1 | 0 | 112 | N1647 N1724 P1725 | N1647-K1649 PolarHBondContact O-N 3.24Å; N1647-K1649 WeakPolarHBondContact OD1-CB 3.11Å; N1647-K1649 PolarHBondContact OD1-N 3.3Å; K1649-N1724 PolarHBondContact NZ-O 3.39Å; K1649-P1725 PolarHBondContact NZ-O 3.04Å |
| 1650 | R | 80.6 | Confident | 88.7 | Confident | 178 Ų | 178 | 53.1 Ų | 53.1 | 67% | 0.672 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -115.3 | 143.4 | 179.8 | -63.5 | -177.5 | 179.8 | -179.3 | 1.9 | 109.6 | N1647 L1648 E1652 | N1647-R1650 PolarHBondContact O-N 3.16Å; N1647-R1650 VanDerWaalsContact O-N 3.1Å; L1648-R1650 VanDerWaalsContact C-N 3.28Å; R1650-E1652 PolarHBondContact O-N 3.28Å |
| 1651 | V | 79.7 | Confident | 88.4 | Confident | 119 Ų | 119 | 54.7 Ų | 54.7 | 72% | 0.721 | 28% | 0.279 | S | S | * | . | trans | -81.9 | 94.9 | 169.4 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1652 | E | 85.2 | Confident | 87.8 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | trans | -78.4 | 144.9 | 178.4 | -65.7 | 176 | 162.9 | 0 | 0 | 110.9 | A1645 H1646 N1647 R1650 T1654 R1655 | A1645-E1652 VanDerWaalsContact CA-OE2 3.3Å; A1645-E1652 WeakPolarHBondContact CA-OE2 3.3Å; H1646-E1652 PolarHBondContact N-OE2 2.9Å; N1647-E1652 VanDerWaalsContact CB-OE1 3.31Å; N1647-E1652 WeakPolarHBondContact CB-OE1 2.91Å; N1647-E1652 PolarHBondContact N-OE1 2.74Å; R1650-E1652 PolarHBondContact O-N 3.28Å; E1652-T1654 PolarHBondContact O-N 3.37Å; E1652-R1655 HydrophobicContact CB-CB 4.34Å; E1652-R1655 VanDerWaalsContact O-CB 3.31Å; E1652-R1655 WeakPolarHBondContact O-CB 3.35Å; E1652-R1655 PolarHBondContact O-N 2.67Å; E1652-R1655 VanDerWaalsContact O-N 3.1Å | ||
| 1653 | T | 79.2 | Confident | 87.4 | Confident | 153 Ų | 153 | 58.5 Ų | 58.5 | 94% | 0.939 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.6 | 177.6 | 52 | 0 | 0 | 0 | 0 | 112.9 | R1655 | T1653-R1655 VanDerWaalsContact C-N 3.32Š|
| 1654 | T | 87.2 | Confident | 86.6 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.1 | 175.4 | 57 | 0 | 0 | 0 | 0 | 113 | H1580 G1644 E1652 Y1691 | H1580-T1654 PolarHBondContact CE1-OG1 2.87Å; H1580-T1654 VanDerWaalsContact CE1-OG1 3.29Å; G1644-T1654 CarbonylContact C-O 3.39Å; G1644-T1654 WeakPolarHBondContact CA-O 3.46Å; G1644-T1654 CarbonylContact O-C 3.49Å; G1644-T1654 VanDerWaalsContact O-CB 3.31Å; G1644-T1654 WeakPolarHBondContact O-CB 3.46Å; G1644-T1654 PolarHBondContact O-OG1 3.09Å; E1652-T1654 PolarHBondContact O-N 3.37Å; T1654-Y1691 HydrophobicContact CG2-CD1 3.89Å; T1654-Y1691 HydrophobicContact CG2-CD2 3.54Å; T1654-Y1691 HydrophobicContact CG2-CE1 3.97Å; T1654-Y1691 HydrophobicContact CG2-CE2 3.62Å; T1654-Y1691 HydrophobicContact CG2-CG 3.67Å |
| 1655 | R | 88.6 | Confident | 85.7 | Confident | 65 Ų | 65 | 62 Ų | 62 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | trans | -84.5 | 118.2 | -176.2 | -178.1 | -179.4 | 75.3 | 170.7 | 11.3 | 110.8 | Y1642 L1643 A1645 E1652 T1653 | Y1642-R1655 HydrophobicContact CD1-CG 3.88Å; Y1642-R1655 HydrophobicContact CG-CG 4.47Å; L1643-R1655 WeakPolarHBondContact O-CA 3.48Å; A1645-R1655 HydrophobicContact CB-CB 4.22Å; A1645-R1655 HydrophobicContact CB-CG 3.98Å; E1652-R1655 HydrophobicContact CB-CB 4.34Å; E1652-R1655 VanDerWaalsContact O-CB 3.31Å; E1652-R1655 WeakPolarHBondContact O-CB 3.35Å; E1652-R1655 PolarHBondContact O-N 2.67Å; E1652-R1655 VanDerWaalsContact O-N 3.1Å; T1653-R1655 VanDerWaalsContact C-N 3.32Å | ||
| 1656 | E | 89.5 | Confident | 84.5 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.7 | 178.7 | -66.1 | -178.7 | -145.6 | 0 | 0 | 111.8 | Y1642 L1643 Y1658 N1689 I1692 | Y1642-E1656 VanDerWaalsContact CA-O 3.27Å; Y1642-E1656 WeakPolarHBondContact CA-O 3.49Å; L1643-E1656 PolarHBondContact N-O 3.42Å; L1643-E1656 PolarHBondContact O-N 3.42Å; E1656-Y1658 HydrophobicContact CB-CD2 4.31Å; E1656-Y1658 HydrophobicContact CB-CE2 3.53Å; E1656-Y1658 PolarHBondContact OE2-OH 3.14Å; E1656-N1689 PolarHBondContact OE1-ND2 2.57Å; E1656-I1692 HydrophobicContact CB-CD1 4.21Å; E1656-I1692 HydrophobicContact CG-CD1 4.08Å |
| 1657 | K | 92.8 | Very high | 83.1 | Confident | 115 Ų | 115 | 65.1 Ų | 65.1 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.1 | -179 | -175.6 | -174.6 | 178 | -177.3 | 0 | 111.3 | T1640 Y1642 R1684 | T1640-K1657 HydrophobicContact CG2-CD 4.07Å; T1640-K1657 HydrophobicContact CG2-CG 3.61Å; Y1642-K1657 HydrophobicContact CD1-CB 3.79Å; Y1642-K1657 HydrophobicContact CD1-CG 4.14Å; Y1642-K1657 HydrophobicContact CE1-CB 3.53Å; Y1642-K1657 HydrophobicContact CE1-CD 3.99Å; Y1642-K1657 HydrophobicContact CE1-CG 3.6Å; Y1642-K1657 HydrophobicContact CE2-CG 4.43Å; K1657-R1684 PolarHBondContact O-NH1 3.26Å; K1657-R1684 PolarHBondContact O-NH2 2.88Å |
| 1658 | Y | 93.3 | Very high | 81.4 | Confident | 7 Ų | 7 | 66 Ų | 66 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.6 | 177.6 | -67.6 | -97.9 | 0 | 0 | 0 | 111.1 | V1641 L1643 E1656 L1682 R1684 V1686 | V1641-Y1658 PolarHBondContact N-O 2.73Å; V1641-Y1658 PolarHBondContact O-N 3.08Å; L1643-Y1658 HydrophobicContact CD1-CD2 4.21Å; L1643-Y1658 HydrophobicContact CD1-CE2 4.23Å; E1656-Y1658 HydrophobicContact CB-CD2 4.31Å; E1656-Y1658 HydrophobicContact CB-CE2 3.53Å; E1656-Y1658 PolarHBondContact OE2-OH 3.14Å; Y1658-L1682 HydrophobicContact CD1-CB 4.44Å; Y1658-L1682 HydrophobicContact CD1-CD1 4.18Å; Y1658-L1682 HydrophobicContact CG-CD1 4.12Å; Y1658-R1684 HydrophobicContact CD1-CG 3.64Å; Y1658-R1684 HydrophobicContact CE1-CG 3.63Å; Y1658-R1684 VanDerWaalsContact CE1-NE 3.35Å; Y1658-V1686 HydrophobicContact CD1-CG2 3.98Å; Y1658-V1686 HydrophobicContact CD2-CG2 4.37Å; Y1658-V1686 HydrophobicContact CE1-CB 4.35Å; Y1658-V1686 HydrophobicContact CE1-CG2 3.6Å; Y1658-V1686 HydrophobicContact CE2-CG1 4.48Å; Y1658-V1686 HydrophobicContact CE2-CG2 4.04Å; Y1658-V1686 HydrophobicContact CG-CG2 4.37Å |
| 1659 | A | 90.5 | Very high | 80 | Confident | 63 Ų | 63 | 70.3 Ų | 70.3 | 52% | 0.521 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 145.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1682 G1683 | A1659-L1682 WeakPolarHBondContact O-CA 3.17Å; A1659-G1683 PolarHBondContact O-N 2.66Å |
| 1660 | V | 88.2 | Confident | 78.5 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.9 | 174.4 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | P1636 V1639 V1641 H1662 I1663 L1680 L1682 | P1636-V1660 CarbonylContact C-O 3.53Å; P1636-V1660 HydrophobicContact CB-CG1 4.31Å; P1636-V1660 VanDerWaalsContact CB-O 3.3Å; P1636-V1660 WeakPolarHBondContact CB-O 3.36Å; V1639-V1660 HydrophobicContact CB-CB 4.2Å; V1639-V1660 HydrophobicContact CB-CG2 4.07Å; V1639-V1660 HydrophobicContact CG1-CB 4.37Å; V1639-V1660 HydrophobicContact CG1-CG2 3.72Å; V1641-V1660 HydrophobicContact CG2-CG2 3.78Å; V1660-H1662 VanDerWaalsContact CG1-O 3.3Å; V1660-H1662 WeakPolarHBondContact CG1-O 3.49Å; V1660-I1663 HydrophobicContact CG1-CG1 3.86Å; V1660-L1680 HydrophobicContact CG1-CB 4.22Å; V1660-L1680 HydrophobicContact CG1-CD2 4.37Å; V1660-L1680 HydrophobicContact CG2-CB 4.31Å; V1660-L1680 HydrophobicContact CG2-CD1 4.43Å; V1660-L1682 HydrophobicContact CG2-CD2 4.28Å |
| 1661 | T | 84 | Confident | 77 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 39% | 0.387 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -32 | 175.3 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | K1681 | T1661-K1681 PolarHBondContact N-O 2.85Å; T1661-K1681 PolarHBondContact OG1-O 3.27Å |
| 1662 | H | 83.3 | Confident | 75.6 | Confident | 106 Ų | 106 | 66.8 Ų | 66.8 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 138.3 | -179.3 | -59.8 | 73.1 | 0 | 0 | 0 | 110.3 | V1660 K1681 | V1660-H1662 VanDerWaalsContact CG1-O 3.3Å; V1660-H1662 WeakPolarHBondContact CG1-O 3.49Å; H1662-K1681 HydrophobicContact CB-CB 4.02Å; H1662-K1681 PolarHBondContact N-O 3.46Å; H1662-K1681 PolarHBondContact O-N 3.04Å |
| 1663 | I | 84.2 | Confident | 74 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.8 | 171.2 | -56.4 | -177.8 | 0 | 0 | 0 | 107.1 | V1622 L1633 A1634 P1636 V1639 V1660 L1680 | V1622-I1663 HydrophobicContact CB-CD1 4.3Å; V1622-I1663 HydrophobicContact CB-CG2 4.02Å; V1622-I1663 HydrophobicContact CG1-CD1 4.49Å; V1622-I1663 HydrophobicContact CG2-CG2 3.66Å; L1633-I1663 HydrophobicContact CD2-CG2 4.09Å; A1634-I1663 HydrophobicContact CB-CD1 4.08Å; A1634-I1663 VanDerWaalsContact O-CD1 3.28Å; A1634-I1663 WeakPolarHBondContact O-CD1 3.49Å; P1636-I1663 HydrophobicContact CB-CG1 4.48Å; P1636-I1663 HydrophobicContact CG-CG1 4.21Å; V1639-I1663 HydrophobicContact CB-CD1 4.41Å; V1639-I1663 HydrophobicContact CG2-CD1 3.66Å; V1660-I1663 HydrophobicContact CG1-CG1 3.86Å; I1663-L1680 HydrophobicContact CB-CD2 4.24Å; I1663-L1680 HydrophobicContact CD1-CD2 4.46Å; I1663-L1680 HydrophobicContact CG1-CD2 3.87Å; I1663-L1680 HydrophobicContact CG2-CD2 3.88Å |
| 1664 | I | 79.5 | Confident | 73 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 85.6 | -175.8 | -57.5 | 172.1 | 0 | 0 | 0 | 106.7 | A1678 I1679 Y1810 | I1664-A1678 WeakPolarHBondContact O-CA 3.15Å; I1664-I1679 HydrophobicContact CB-CB 4.18Å; I1664-I1679 PolarHBondContact N-O 3.45Å; I1664-I1679 PolarHBondContact O-N 3.03Å; I1664-Y1810 HydrophobicContact CB-CE2 4.4Å; I1664-Y1810 HydrophobicContact CG2-CD2 3.58Å; I1664-Y1810 HydrophobicContact CG2-CE2 3.13Å |
| 1665 | P | 72.7 | Confident | 71.9 | Confident | 18 Ų | 18 | 66 Ų | 66 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 152 | -179 | 33 | -40.9 | 0 | 0 | 0 | 111.6 | L1633 Y1810 | L1633-P1665 HydrophobicContact CD1-CG 3.63Å; L1633-P1665 HydrophobicContact CD2-CB 3.71Å; L1633-P1665 HydrophobicContact CD2-CG 3.56Å; L1633-P1665 HydrophobicContact CG-CG 4.09Å; P1665-Y1810 WeakPolarHBondContact CD-OH 3.38Å; P1665-Y1810 VanDerWaalsContact CG-OH 3.27Å; P1665-Y1810 WeakPolarHBondContact CG-OH 3.49Å; P1665-Y1810 WeakPolarHBondContact O-CE2 3.49Å; P1665-Y1810 PolarHBondContact O-OH 3.12Å |
| 1666 | G | 66.3 | Low | 71.3 | Confident | 21 Ų | 21 | 63 Ų | 63 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | trans | -64.5 | 176.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1668 I1677 | G1666-F1668 PolarHBondContact O-N 3.21Å; G1666-I1677 VanDerWaalsContact CA-O 3.32Å; G1666-I1677 WeakPolarHBondContact CA-O 3.46Å; G1666-I1677 PolarHBondContact N-O 2.81Å | ||
| 1667 | A | 62.6 | Low | 71.1 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -72 | 54.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | H1669 D1675 | A1667-H1669 PolarHBondContact O-N 2.83Å; A1667-D1675 HydrophobicContact CB-CB 4.47Å |
| 1668 | F | 53.2 | Low | 70.6 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 13% | 0.132 | 30% | 0.298 | C | S | . | . | trans | -63 | 124.8 | -176.5 | -178.3 | -97.9 | 0 | 0 | 0 | 110.6 | A1619 H1620 I1623 G1666 E1670 E1673 K1674 D1676 | A1619-F1668 HydrophobicContact CB-CB 3.79Å; A1619-F1668 HydrophobicContact CB-CD2 3.92Å; A1619-F1668 HydrophobicContact CB-CG 3.95Å; H1620-F1668 HydrophobicContact CB-CE2 4.44Å; H1620-F1668 HydrophobicContact CB-CZ 4.33Å; I1623-F1668 HydrophobicContact CD1-CB 4.05Å; I1623-F1668 HydrophobicContact CD1-CD1 3.26Å; I1623-F1668 HydrophobicContact CD1-CE1 3.76Å; I1623-F1668 HydrophobicContact CD1-CG 3.7Å; G1666-F1668 PolarHBondContact O-N 3.21Å; F1668-E1670 HydrophobicContact CE1-CB 4.41Å; F1668-E1673 HydrophobicContact CE2-CB 4.43Å; F1668-E1673 HydrophobicContact CE2-CG 4.34Å; F1668-K1674 WeakPolarHBondContact CA-O 3.3Å; F1668-D1676 HydrophobicContact CD2-CB 3.97Å; F1668-D1676 HydrophobicContact CE2-CB 4.04Å | ||
| 1669 | H | 55.6 | Low | 70.4 | Confident | 121 Ų | 121 | 58.6 Ų | 58.6 | 56% | 0.56 | 31% | 0.31 | S | S | * | . | B | Isolated β-bridge | trans | -115.5 | 118.5 | 173.1 | -113.2 | -82.4 | 0 | 0 | 0 | 109 | A1667 F1671 N1672 E1673 | A1667-H1669 PolarHBondContact O-N 2.83Å; H1669-F1671 PolarHBondContact O-N 2.99Å; H1669-F1671 VanDerWaalsContact O-N 3.09Å; H1669-N1672 PolarHBondContact O-N 2.8Å; H1669-E1673 PolarHBondContact O-N 2.91Å |
| 1670 | E | 52.2 | Low | 70.4 | Confident | 113 Ų | 113 | 55.6 Ų | 55.6 | 53% | 0.528 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32.1 | -173.3 | -155 | 176.4 | -156.2 | 0 | 0 | 113.4 | F1668 | F1668-E1670 HydrophobicContact CE1-CB 4.41Š|
| 1671 | F | 49 | Very low | 70.4 | Confident | 187 Ų | 187 | 59.4 Ų | 59.4 | 82% | 0.82 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.9 | -177.9 | -66.6 | -77.4 | 0 | 0 | 0 | 115.1 | H1669 | H1669-F1671 PolarHBondContact O-N 2.99Å; H1669-F1671 VanDerWaalsContact O-N 3.09Å |
| 1672 | N | 50.8 | Low | 70.8 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | -10.1 | -170.5 | -48 | 66.5 | 0 | 0 | 0 | 113 | H1669 K1674 Y1745 | H1669-N1672 PolarHBondContact O-N 2.8Å; N1672-K1674 HydrophobicContact CB-CB 4.08Å; N1672-K1674 PolarHBondContact O-N 2.84Å; N1672-Y1745 VanDerWaalsContact O-CE1 3.23Å; N1672-Y1745 WeakPolarHBondContact O-CE1 3.46Å |
| 1673 | E | 51 | Low | 70.7 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 28.7 | -171 | -63.8 | 174.8 | 152.2 | 0 | 0 | 112.7 | F1668 H1669 M1750 F1785 | F1668-E1673 HydrophobicContact CE2-CB 4.43Å; F1668-E1673 HydrophobicContact CE2-CG 4.34Å; H1669-E1673 PolarHBondContact O-N 2.91Å; E1673-M1750 VanDerWaalsContact O-CE 3.24Å; E1673-M1750 WeakPolarHBondContact O-CE 3.4Å; E1673-F1785 HydrophobicContact CB-CD1 4.28Å; E1673-F1785 HydrophobicContact CB-CE1 3.85Å; E1673-F1785 WeakPolarHBondContact OE2-CD1 3.45Å; E1673-F1785 WeakPolarHBondContact OE2-CE1 3.46Å; E1673-F1785 WeakPolarHBondContact OE2-CG 3.08Å; E1673-F1785 WeakPolarHBondContact OE2-CZ 3.35Å |
| 1674 | K | 57.4 | Low | 70.8 | Confident | 101 Ų | 101 | 59.3 Ų | 59.3 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | B | Isolated β-bridge | trans | -75.2 | 131 | -179.5 | -164.2 | -178.9 | -177.8 | -175.6 | 0 | 107.2 | F1668 N1672 | F1668-K1674 WeakPolarHBondContact CA-O 3.3Å; N1672-K1674 HydrophobicContact CB-CB 4.08Å; N1672-K1674 PolarHBondContact O-N 2.84Å |
| 1675 | D | 65.3 | Low | 71 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 17% | 0.171 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 42.2 | -179.7 | -56.8 | -50.8 | 0 | 0 | 0 | 113.1 | A1667 I1677 K1749 | A1667-D1675 HydrophobicContact CB-CB 4.47Å; D1675-I1677 PolarHBondContact O-N 2.86Å; D1675-K1749 VanDerWaalsContact OD1-CD 3.29Å; D1675-K1749 WeakPolarHBondContact OD1-CD 3.35Å; D1675-K1749 IonicContact OD1-NZ 3.75Å; D1675-K1749 PolarHBondContact OD1-NZ 2.88Å; D1675-K1749 IonicContact OD2-NZ 3.05Å; D1675-K1749 PolarHBondContact OD2-NZ 3.04Å |
| 1676 | D | 76.8 | Confident | 71.6 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | trans | -69.9 | 74.2 | 169 | -174.2 | 30.9 | 0 | 0 | 0 | 111.7 | A1619 H1620 F1668 S1784 T1802 | A1619-D1676 WeakPolarHBondContact CA-OD1 3.28Å; A1619-D1676 WeakPolarHBondContact CB-OD1 2.93Å; A1619-D1676 PolarHBondContact N-OD1 2.85Å; H1620-D1676 IonicContact CE1-OD2 3.39Å; H1620-D1676 PolarHBondContact CE1-OD2 2.97Å; H1620-D1676 IonicContact CG-OD1 3.7Å; H1620-D1676 IonicContact CG-OD2 3.53Å; H1620-D1676 PolarHBondContact N-OD1 2.94Å; H1620-D1676 IonicContact ND1-OD1 3.81Å; H1620-D1676 PolarHBondContact ND1-OD1 3.43Å; H1620-D1676 IonicContact ND1-OD2 3.71Å; H1620-D1676 PolarHBondContact ND1-OD2 2.82Å; F1668-D1676 HydrophobicContact CD2-CB 3.97Å; F1668-D1676 HydrophobicContact CE2-CB 4.04Å; D1676-S1784 WeakPolarHBondContact CB-OG 3.2Å; D1676-S1784 WeakPolarHBondContact OD2-CB 3.4Å; D1676-S1784 PolarHBondContact OD2-OG 2.96Å; D1676-T1802 WeakPolarHBondContact O-CB 3.13Å; D1676-T1802 PolarHBondContact O-OG1 2.68Å | ||
| 1677 | I | 83.4 | Confident | 72.4 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | trans | -146.8 | 143.5 | -179.5 | -177.2 | 162.9 | 0 | 0 | 0 | 108.4 | L1616 T1617 G1666 D1675 I1782 T1802 | L1616-I1677 HydrophobicContact CD2-CD1 3.82Å; L1616-I1677 HydrophobicContact CD2-CG1 3.77Å; T1617-I1677 CarbonylContact O-C 3.56Å; T1617-I1677 WeakPolarHBondContact O-CA 3.3Å; G1666-I1677 VanDerWaalsContact CA-O 3.32Å; G1666-I1677 WeakPolarHBondContact CA-O 3.46Å; G1666-I1677 PolarHBondContact N-O 2.81Å; D1675-I1677 PolarHBondContact O-N 2.86Å; I1677-I1782 HydrophobicContact CB-CD1 4.35Å; I1677-I1782 HydrophobicContact CD1-CD1 3.5Å; I1677-I1782 VanDerWaalsContact CD1-CD1 3.5Å; I1677-I1782 HydrophobicContact CG1-CD1 3.52Å; I1677-T1802 HydrophobicContact CB-CG2 4.11Å; I1677-T1802 HydrophobicContact CG2-CG2 4.45Å | ||
| 1678 | A | 84 | Confident | 73.6 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1616 T1617 A1619 V1622 I1664 | L1616-A1678 WeakPolarHBondContact CA-O 3.36Å; T1617-A1678 HydrophobicContact CG2-CB 4.17Å; T1617-A1678 PolarHBondContact N-O 2.96Å; T1617-A1678 PolarHBondContact O-N 3.31Å; A1619-A1678 HydrophobicContact CB-CB 4.5Å; V1622-A1678 HydrophobicContact CG2-CB 3.89Å; I1664-A1678 WeakPolarHBondContact O-CA 3.15Å |
| 1679 | I | 87.5 | Confident | 74.9 | Confident | 57 Ų | 57 | 61 Ų | 61 | 29% | 0.292 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.3 | 172.5 | -61.6 | 165.9 | 0 | 0 | 0 | 108.5 | L1614 V1615 L1616 I1664 | L1614-I1679 HydrophobicContact CB-CG2 4.46Å; L1614-I1679 HydrophobicContact CD2-CG2 3.94Å; V1615-I1679 WeakPolarHBondContact O-CA 3.4Å; L1616-I1679 HydrophobicContact CD2-CD1 4.45Å; L1616-I1679 HydrophobicContact CD2-CG1 3.48Å; L1616-I1679 VanDerWaalsContact CD2-CG1 3.48Å; L1616-I1679 HydrophobicContact CG-CG1 4.48Å; I1664-I1679 HydrophobicContact CB-CB 4.18Å; I1664-I1679 PolarHBondContact N-O 3.45Å; I1664-I1679 PolarHBondContact O-N 3.03Å |
| 1680 | L | 91.1 | Very high | 76.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.6 | 171.5 | -52.5 | 179.3 | 0 | 0 | 0 | 108.7 | V1588 V1615 T1617 V1622 V1639 V1641 V1660 I1663 | V1588-L1680 HydrophobicContact CG1-CD1 3.79Å; V1588-L1680 HydrophobicContact CG2-CD1 4.03Å; V1615-L1680 HydrophobicContact CB-CB 4.32Å; V1615-L1680 PolarHBondContact N-O 2.97Å; V1615-L1680 PolarHBondContact O-N 3.2Å; T1617-L1680 HydrophobicContact CG2-CD1 3.96Å; T1617-L1680 HydrophobicContact CG2-CD2 4.45Å; T1617-L1680 HydrophobicContact CG2-CG 4.04Å; V1622-L1680 HydrophobicContact CG1-CD2 4.05Å; V1639-L1680 HydrophobicContact CG1-CD1 4.33Å; V1641-L1680 HydrophobicContact CG2-CD1 3.98Å; V1660-L1680 HydrophobicContact CG1-CB 4.22Å; V1660-L1680 HydrophobicContact CG1-CD2 4.37Å; V1660-L1680 HydrophobicContact CG2-CB 4.31Å; V1660-L1680 HydrophobicContact CG2-CD1 4.43Å; I1663-L1680 HydrophobicContact CB-CD2 4.24Å; I1663-L1680 HydrophobicContact CD1-CD2 4.46Å; I1663-L1680 HydrophobicContact CG1-CD2 3.87Å; I1663-L1680 HydrophobicContact CG2-CD2 3.88Å |
| 1681 | K | 89.1 | Confident | 77.8 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 118.9 | 170.8 | -170.6 | 175.6 | -179.6 | 179 | 0 | 109.5 | D1613 L1614 T1661 H1662 | D1613-K1681 WeakPolarHBondContact O-CA 3.37Å; D1613-K1681 WeakPolarHBondContact OD2-CE 3.47Å; L1614-K1681 HydrophobicContact CD2-CB 4.45Å; L1614-K1681 HydrophobicContact CD2-CG 4.4Å; T1661-K1681 PolarHBondContact N-O 2.85Å; T1661-K1681 PolarHBondContact OG1-O 3.27Å; H1662-K1681 HydrophobicContact CB-CB 4.02Å; H1662-K1681 PolarHBondContact N-O 3.46Å; H1662-K1681 PolarHBondContact O-N 3.04Å |
| 1682 | L | 91.3 | Very high | 79.8 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 147.3 | 178 | -54.7 | 179.3 | 0 | 0 | 0 | 110.1 | D1613 V1615 V1641 L1643 Y1658 A1659 V1660 R1684 V1686 | D1613-L1682 PolarHBondContact O-N 3.44Å; V1615-L1682 HydrophobicContact CG2-CD1 4.01Å; V1615-L1682 HydrophobicContact CG2-CD2 4.36Å; V1615-L1682 HydrophobicContact CG2-CG 4.36Å; V1641-L1682 HydrophobicContact CB-CD2 3.94Å; V1641-L1682 HydrophobicContact CG1-CD2 4.38Å; V1641-L1682 HydrophobicContact CG2-CD2 3.88Å; L1643-L1682 HydrophobicContact CD1-CD1 4.47Å; Y1658-L1682 HydrophobicContact CD1-CB 4.44Å; Y1658-L1682 HydrophobicContact CD1-CD1 4.18Å; Y1658-L1682 HydrophobicContact CG-CD1 4.12Å; A1659-L1682 WeakPolarHBondContact O-CA 3.17Å; V1660-L1682 HydrophobicContact CG2-CD2 4.28Å; L1682-R1684 WeakPolarHBondContact CB-O 3.41Å; L1682-R1684 PolarHBondContact O-N 2.97Å; L1682-V1686 HydrophobicContact CD1-CG2 3.35Å |
| 1683 | G | 82.7 | Confident | 81.7 | Confident | 51 Ų | 51 | 46 Ų | 46 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -13.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1659 | A1659-G1683 PolarHBondContact O-N 2.66Å |
| 1684 | R | 85.7 | Confident | 83.6 | Confident | 134 Ų | 134 | 43.1 Ų | 43.1 | 51% | 0.506 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 152.7 | 171 | 64.9 | 178.7 | -169.5 | -98.9 | -4.1 | 109.4 | K1657 Y1658 L1682 | K1657-R1684 PolarHBondContact O-NH1 3.26Å; K1657-R1684 PolarHBondContact O-NH2 2.88Å; Y1658-R1684 HydrophobicContact CD1-CG 3.64Å; Y1658-R1684 HydrophobicContact CE1-CG 3.63Å; Y1658-R1684 VanDerWaalsContact CE1-NE 3.35Å; L1682-R1684 WeakPolarHBondContact CB-O 3.41Å; L1682-R1684 PolarHBondContact O-N 2.97Å |
| 1685 | K | 83.7 | Confident | 85.3 | Confident | 58 Ų | 58 | 38.3 Ų | 38.3 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 142.7 | 174.3 | -78 | -173 | 166.4 | -157.6 | 0 | 111.6 | D1613 Y1687 | D1613-K1685 HydrophobicContact CB-CG 4.01Å; K1685-Y1687 HydrophobicContact CB-CE2 4.34Å |
| 1686 | V | 86.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.4 | 170.2 | -174.2 | 0 | 0 | 0 | 0 | 107.7 | L1603 S1611 S1612 L1643 Y1658 L1682 I1692 | L1603-V1686 HydrophobicContact CD1-CB 4.3Å; L1603-V1686 HydrophobicContact CD1-CG2 4.13Å; L1603-V1686 HydrophobicContact CD2-CB 4.29Å; L1603-V1686 HydrophobicContact CD2-CG1 3.93Å; S1611-V1686 CarbonylContact C-O 3.51Å; S1611-V1686 WeakPolarHBondContact CA-O 3.38Å; S1611-V1686 VanDerWaalsContact CB-O 3.24Å; S1611-V1686 WeakPolarHBondContact CB-O 3.41Å; S1612-V1686 PolarHBondContact N-O 2.83Å; S1612-V1686 WeakPolarHBondContact O-CA 3.4Å; S1612-V1686 WeakPolarHBondContact O-CB 3.45Å; S1612-V1686 WeakPolarHBondContact O-CG2 3.44Å; S1612-V1686 PolarHBondContact O-N 2.99Å; L1643-V1686 HydrophobicContact CD1-CB 4.33Å; L1643-V1686 HydrophobicContact CD1-CG1 3.84Å; L1643-V1686 HydrophobicContact CD1-CG2 3.6Å; Y1658-V1686 HydrophobicContact CD1-CG2 3.98Å; Y1658-V1686 HydrophobicContact CD2-CG2 4.37Å; Y1658-V1686 HydrophobicContact CE1-CB 4.35Å; Y1658-V1686 HydrophobicContact CE1-CG2 3.6Å; Y1658-V1686 HydrophobicContact CE2-CG1 4.48Å; Y1658-V1686 HydrophobicContact CE2-CG2 4.04Å; Y1658-V1686 HydrophobicContact CG-CG2 4.37Å; L1682-V1686 HydrophobicContact CD1-CG2 3.35Å; V1686-I1692 HydrophobicContact CG1-CG2 3.5Å |
| 1687 | Y | 83 | Confident | 86.7 | Confident | 143 Ų | 143 | 38.9 Ų | 38.9 | 56% | 0.561 | 18% | 0.183 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 134.7 | 175.3 | -66 | -86.8 | 0 | 0 | 0 | 110 | K1685 N1689 | K1685-Y1687 HydrophobicContact CB-CE2 4.34Å; Y1687-N1689 PolarHBondContact O-N 3.29Å |
| 1688 | Y | 85.9 | Confident | 86.4 | Confident | 9 Ų | 9 | 38 Ų | 38 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 123.8 | -170.2 | -66.1 | -10 | 0 | 0 | 0 | 113 | G1547 G1548 A1552 L1603 D1605 H1609 N1610 S1612 I1692 Q1693 G1694 | G1547-Y1688 CarbonylContact C-O 3.46Å; G1547-Y1688 CarbonylContact O-C 3.6Å; G1548-Y1688 WeakPolarHBondContact CA-O 3.43Å; G1548-Y1688 PolarHBondContact N-O 2.92Å; A1552-Y1688 HydrophobicContact CB-CD2 4.01Å; L1603-Y1688 HydrophobicContact CD2-CD1 4.17Å; L1603-Y1688 HydrophobicContact CD2-CE1 3.74Å; L1603-Y1688 HydrophobicContact CG-CE1 4.37Å; D1605-Y1688 HydrophobicContact CB-CE2 4.27Å; D1605-Y1688 WeakPolarHBondContact CB-OH 2.91Å; D1605-Y1688 VanDerWaalsContact CG-OH 3.27Å; D1605-Y1688 WeakPolarHBondContact OD2-CE2 3.33Å; D1605-Y1688 PolarHBondContact OD2-OH 3.47Å; H1609-Y1688 WeakPolarHBondContact O-CE2 3.3Å; N1610-Y1688 PolarHBondContact O-N 2.72Å; N1610-Y1688 VanDerWaalsContact O-N 3.08Å; S1612-Y1688 VanDerWaalsContact CB-OH 3.26Å; S1612-Y1688 WeakPolarHBondContact CB-OH 3.38Å; Y1688-I1692 CarbonylContact C-O 3.56Å; Y1688-I1692 VanDerWaalsContact C-O 3.31Å; Y1688-I1692 WeakPolarHBondContact CA-O 3.2Å; Y1688-Q1693 HydrophobicContact CG-CB 4.42Å; Y1688-G1694 VanDerWaalsContact CZ-N 3.3Å |
| 1689 | N | 82.3 | Confident | 85.6 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | trans | -118.5 | -170.9 | 177.6 | 66.8 | 49.5 | 0 | 0 | 0 | 114 | G1547 E1656 Y1687 Y1691 I1692 Q1693 | G1547-N1689 VanDerWaalsContact O-CA 3.25Å; G1547-N1689 WeakPolarHBondContact O-CA 3.42Å; G1547-N1689 WeakPolarHBondContact O-CB 3.31Å; E1656-N1689 PolarHBondContact OE1-ND2 2.57Å; Y1687-N1689 PolarHBondContact O-N 3.29Å; N1689-Y1691 PolarHBondContact O-N 3.23Å; N1689-Y1691 WeakPolarHBondContact OD1-CA 3.29Å; N1689-Y1691 WeakPolarHBondContact OD1-CB 3.33Å; N1689-Y1691 PolarHBondContact OD1-N 2.82Å; N1689-I1692 PolarHBondContact N-O 2.57Å; N1689-I1692 PolarHBondContact OD1-N 3.08Å; N1689-Q1693 WeakPolarHBondContact O-CG 3.46Å; N1689-Q1693 PolarHBondContact O-NE2 3.09Å; N1689-Q1693 VanDerWaalsContact O-NE2 3.13Å | ||
| 1690 | K | 79.1 | Confident | 84 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 30% | 0.296 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -63.8 | -19.8 | 178.6 | -66.8 | 174.4 | -174.7 | 162.4 | 0 | 112.4 | E1546 F1559 | E1546-K1690 IonicContact OE2-NZ 3.77Å; F1559-K1690 HydrophobicContact CE2-CB 4.45Å; F1559-K1690 WeakPolarHBondContact CE2-O 3.3Å |
| 1691 | Y | 88.2 | Confident | 82.4 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -113.4 | -18.5 | -173.9 | -43.6 | -69.6 | 0 | 0 | 0 | 113.3 | F1559 H1580 P1583 T1654 N1689 | F1559-Y1691 AromaticContact CE2-CD1 3.98Å; F1559-Y1691 HydrophobicContact CE2-CD1 3.98Å; F1559-Y1691 HydrophobicContact CE2-CE1 4.01Å; F1559-Y1691 HydrophobicContact CZ-CE1 4.14Å; H1580-Y1691 HydrophobicContact CB-CD1 3.91Å; H1580-Y1691 AromaticContact CD2-CD1 3.61Å; H1580-Y1691 AromaticContact CD2-CE1 4Å; H1580-Y1691 AromaticContact CG-CD1 3.52Å; H1580-Y1691 AromaticContact ND1-CD1 3.86Å; P1583-Y1691 WeakPolarHBondContact CA-O 3.26Å; P1583-Y1691 WeakPolarHBondContact CB-O 3.41Å; T1654-Y1691 HydrophobicContact CG2-CD1 3.89Å; T1654-Y1691 HydrophobicContact CG2-CD2 3.54Å; T1654-Y1691 HydrophobicContact CG2-CE1 3.97Å; T1654-Y1691 HydrophobicContact CG2-CE2 3.62Å; T1654-Y1691 HydrophobicContact CG2-CG 3.67Å; N1689-Y1691 PolarHBondContact O-N 3.23Å; N1689-Y1691 WeakPolarHBondContact OD1-CA 3.29Å; N1689-Y1691 WeakPolarHBondContact OD1-CB 3.33Å; N1689-Y1691 PolarHBondContact OD1-N 2.82Å |
| 1692 | I | 91.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -132.2 | 117.5 | -176.9 | -55.7 | 176.2 | 0 | 0 | 0 | 109.7 | P1583 L1603 L1643 E1656 V1686 Y1688 N1689 | P1583-I1692 VanDerWaalsContact O-CA 3.31Å; P1583-I1692 WeakPolarHBondContact O-CA 3.23Å; L1603-I1692 HydrophobicContact CD2-CG2 3.73Å; L1643-I1692 HydrophobicContact CB-CD1 3.79Å; L1643-I1692 HydrophobicContact CB-CG1 4.14Å; L1643-I1692 HydrophobicContact CB-CG2 4.09Å; L1643-I1692 HydrophobicContact CD1-CG2 4.26Å; E1656-I1692 HydrophobicContact CB-CD1 4.21Å; E1656-I1692 HydrophobicContact CG-CD1 4.08Å; V1686-I1692 HydrophobicContact CG1-CG2 3.5Å; Y1688-I1692 CarbonylContact C-O 3.56Å; Y1688-I1692 VanDerWaalsContact C-O 3.31Å; Y1688-I1692 WeakPolarHBondContact CA-O 3.2Å; N1689-I1692 PolarHBondContact N-O 2.57Å; N1689-I1692 PolarHBondContact OD1-N 3.08Å | ||
| 1693 | Q | 90.4 | Very high | 79.5 | Confident | 33 Ų | 33 | 56.3 Ų | 56.3 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | trans | -149.3 | 152.5 | 178.5 | -57.7 | -178 | -1.6 | 0 | 0 | 110.3 | K1556 P1583 W1584 Y1688 N1689 | K1556-Q1693 PolarHBondContact O-OE1 3.22Å; P1583-Q1693 CarbonylContact C-O 3.49Å; P1583-Q1693 HydrophobicContact CB-CB 4.03Å; P1583-Q1693 HydrophobicContact CB-CG 4.08Å; P1583-Q1693 HydrophobicContact CG-CB 3.84Å; P1583-Q1693 HydrophobicContact CG-CG 4.07Å; P1583-Q1693 PolarHBondContact O-N 2.87Å; W1584-Q1693 WeakPolarHBondContact CA-O 3.24Å; W1584-Q1693 WeakPolarHBondContact CB-O 3.42Å; W1584-Q1693 PolarHBondContact N-O 2.85Å; Y1688-Q1693 HydrophobicContact CG-CB 4.42Å; N1689-Q1693 WeakPolarHBondContact O-CG 3.46Å; N1689-Q1693 PolarHBondContact O-NE2 3.09Å; N1689-Q1693 VanDerWaalsContact O-NE2 3.13Å | ||
| 1694 | G | 91.5 | Very high | 78.3 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 142.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1554 G1555 L1603 Y1688 | C1554-G1694 WeakPolarHBondContact CA-O 3.49Å; G1555-G1694 PolarHBondContact N-O 2.86Å; L1603-G1694 WeakPolarHBondContact O-CA 3.42Å; Y1688-G1694 VanDerWaalsContact CZ-N 3.3Å |
| 1695 | I | 92.4 | Very high | 76.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 149.9 | 169 | -164.8 | 166.2 | 0 | 0 | 0 | 110.9 | W1584 L1603 I1604 D1605 A1770 F1777 L1779 | W1584-I1695 HydrophobicContact CB-CB 3.94Å; W1584-I1695 HydrophobicContact CB-CG2 4.35Å; W1584-I1695 HydrophobicContact CD2-CB 3.82Å; W1584-I1695 HydrophobicContact CD2-CD1 4.16Å; W1584-I1695 HydrophobicContact CD2-CG1 4.16Å; W1584-I1695 HydrophobicContact CE3-CB 4.09Å; W1584-I1695 HydrophobicContact CE3-CG1 4.43Å; W1584-I1695 HydrophobicContact CG-CB 3.74Å; W1584-I1695 HydrophobicContact CG-CD1 4.32Å; W1584-I1695 HydrophobicContact CG-CG1 4.44Å; W1584-I1695 HydrophobicContact CG-CG2 4.42Å; W1584-I1695 HydrophobicContact CZ2-CD1 4.4Å; L1603-I1695 PolarHBondContact O-N 3.22Å; I1604-I1695 HydrophobicContact CG2-CG2 4.28Å; D1605-I1695 PolarHBondContact N-O 3.4Å; I1695-A1770 HydrophobicContact CD1-CB 3.5Å; I1695-A1770 VanDerWaalsContact CD1-CB 3.5Å; I1695-F1777 HydrophobicContact CD1-CB 4.28Å; I1695-F1777 HydrophobicContact CG1-CB 4.33Å; I1695-F1777 VanDerWaalsContact CG1-O 3.3Å; I1695-F1777 WeakPolarHBondContact CG1-O 3.37Å; I1695-L1779 HydrophobicContact CD1-CB 3.98Å; I1695-L1779 HydrophobicContact CD1-CD1 4.41Å; I1695-L1779 HydrophobicContact CG1-CB 4.23Å; I1695-L1779 HydrophobicContact CG2-CB 3.78Å; I1695-L1779 HydrophobicContact CG2-CD2 4.14Å; I1695-L1779 HydrophobicContact CG2-CG 4.39Å |
| 1696 | C | 89 | Confident | 75.4 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 145.5 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 112 | C1554 F1777 V1778 L1779 | C1554-C1696 HydrophobicContact CB-CB 3.99Å; C1554-C1696 WeakPolarHBondContact CB-SG 3.05Å; C1554-C1696 PolarHBondContact O-SG 2.91Å; C1554-C1696 WeakPolarHBondContact SG-CA 3.18Å; C1554-C1696 WeakPolarHBondContact SG-CB 3.17Å; C1554-C1696 CovalentContact SG-SG 2.04Å; C1554-C1696 PolarHBondContact SG-SG 3.1Å; C1696-F1777 WeakPolarHBondContact CB-O 3.46Å; C1696-F1777 PolarHBondContact N-O 2.93Å; C1696-V1778 HydrophobicContact CB-CG2 4.14Å; C1696-V1778 WeakPolarHBondContact O-CA 3.04Å; C1696-L1779 PolarHBondContact O-N 3.3Å |
| 1697 | L | 83.6 | Confident | 73.9 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 144.3 | 167.5 | -69.3 | 174.3 | 0 | 0 | 0 | 111.4 | I1604 L1616 L1779 C1806 | I1604-L1697 HydrophobicContact CB-CD1 4.47Å; I1604-L1697 HydrophobicContact CB-CD2 4.48Å; I1604-L1697 HydrophobicContact CB-CG 4.44Å; I1604-L1697 HydrophobicContact CD1-CD1 4.19Å; I1604-L1697 HydrophobicContact CG2-CD2 3.97Å; I1604-L1697 HydrophobicContact CG2-CG 4.44Å; L1616-L1697 HydrophobicContact CD1-CD2 4.13Å; L1697-L1779 HydrophobicContact CD2-CD2 4.27Å; L1697-C1806 HydrophobicContact CD1-CB 4.47Å |
| 1698 | P | 75.2 | Confident | 72.7 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 154.6 | 176 | 29.7 | -34.3 | 0 | 0 | 0 | 111.3 | V1778 L1779 Y1780 A1804 | P1698-V1778 HydrophobicContact CB-CG1 3.76Å; P1698-V1778 HydrophobicContact CG-CG1 4.29Å; P1698-L1779 WeakPolarHBondContact CD-O 3.45Å; P1698-Y1780 HydrophobicContact CB-CE1 4.35Å; P1698-A1804 WeakPolarHBondContact CG-O 3.43Å |
| 1699 | S | 68 | Low | 71.8 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 57% | 0.566 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 151.4 | 175.4 | -47.8 | 0 | 0 | 0 | 0 | 111.3 | N1701 E1702 | S1699-N1701 PolarHBondContact O-N 3.35Å; S1699-E1702 PolarHBondContact N-OE2 2.95Å; S1699-E1702 VanDerWaalsContact O-CB 3.28Å; S1699-E1702 WeakPolarHBondContact O-CB 3.36Å; S1699-E1702 PolarHBondContact O-N 3.44Å; S1699-E1702 PolarHBondContact OG-OE2 3.41Å |
| 1700 | I | 54.7 | Low | 71.7 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 46% | 0.462 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -33 | -175.5 | -67.9 | 168.8 | 0 | 0 | 0 | 113.7 | V1805 | I1700-V1805 HydrophobicContact CB-CG1 4.38Å; I1700-V1805 HydrophobicContact CG1-CG1 4.15Å |
| 1701 | N | 56.8 | Low | 71.9 | Confident | 154 Ų | 154 | 60.4 Ų | 60.4 | 82% | 0.824 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 16.7 | -177.5 | -65.3 | -23.1 | 0 | 0 | 0 | 113.5 | S1699 E1703 | S1699-N1701 PolarHBondContact O-N 3.35Å; N1701-E1703 PolarHBondContact O-N 3.14Å |
| 1702 | E | 61.6 | Low | 71.9 | Confident | 32 Ų | 32 | 57 Ų | 57 | 15% | 0.15 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 124 | -176.3 | -154.9 | 171.1 | 145.9 | 0 | 0 | 111.1 | S1699 K1773 Y1780 | S1699-E1702 PolarHBondContact N-OE2 2.95Å; S1699-E1702 VanDerWaalsContact O-CB 3.28Å; S1699-E1702 WeakPolarHBondContact O-CB 3.36Å; S1699-E1702 PolarHBondContact O-N 3.44Å; S1699-E1702 PolarHBondContact OG-OE2 3.41Å; E1702-K1773 VanDerWaalsContact OE1-CD 3.22Å; E1702-K1773 WeakPolarHBondContact OE1-CD 3.44Å; E1702-K1773 WeakPolarHBondContact OE1-CE 3.28Å; E1702-K1773 IonicContact OE1-NZ 3.9Å; E1702-K1773 PolarHBondContact OE1-NZ 3.43Å; E1702-Y1780 PolarHBondContact OE1-OH 2.87Å |
| 1703 | E | 58.1 | Low | 71.6 | Confident | 174 Ų | 174 | 57.8 Ų | 57.8 | 81% | 0.813 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -65 | 147.3 | 170.1 | -75.1 | -173.6 | 163.5 | 0 | 0 | 110.2 | N1701 A1705 | N1701-E1703 PolarHBondContact O-N 3.14Å; E1703-A1705 PolarHBondContact O-N 2.71Å |
| 1704 | I | 58.1 | Low | 71.6 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 136.3 | 177.8 | -60.7 | 164.6 | 0 | 0 | 0 | 108.1 | S1706 L1735 L1751 | I1704-S1706 PolarHBondContact O-N 2.8Å; I1704-L1735 HydrophobicContact CG2-CD1 4.23Å; I1704-L1751 HydrophobicContact CD1-CD2 3.5Å; I1704-L1751 HydrophobicContact CG1-CD2 3.96Å; I1704-L1751 HydrophobicContact CG2-CD2 4.39Å |
| 1705 | A | 53.2 | Low | 71.4 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 13% | 0.132 | 32% | 0.317 | C | S | . | . | trans | -45.8 | 127.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1703 S1709 Y1780 | E1703-A1705 PolarHBondContact O-N 2.71Å; A1705-S1709 VanDerWaalsContact CB-CB 3.43Å; A1705-S1709 VanDerWaalsContact CB-OG 3.29Å; A1705-S1709 WeakPolarHBondContact CB-OG 3.38Å; A1705-Y1780 HydrophobicContact CB-CE2 4.12Å | ||
| 1706 | S | 54.6 | Low | 71.1 | Confident | 90 Ų | 90 | 56.8 Ų | 56.8 | 63% | 0.629 | 32% | 0.318 | S | S | * | . | trans | -52.5 | 148.9 | -173.6 | 36.8 | 0 | 0 | 0 | 0 | 112.1 | I1704 G1708 S1709 | I1704-S1706 PolarHBondContact O-N 2.8Å; S1706-G1708 PolarHBondContact O-N 3.47Å; S1706-S1709 PolarHBondContact N-OG 2.77Å; S1706-S1709 PolarHBondContact O-N 2.63Å; S1706-S1709 PolarHBondContact O-OG 2.72Å; S1706-S1709 VanDerWaalsContact O-OG 3.09Å | ||
| 1707 | K | 53.8 | Low | 70.3 | Confident | 181 Ų | 181 | 56.6 Ų | 56.6 | 79% | 0.787 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | 109.5 | 174.3 | -142.4 | -179.3 | -173.7 | -175.8 | 0 | 109.3 | ||
| 1708 | G | 58.7 | Low | 69.5 | Low | 77 Ų | 77 | 61.5 Ų | 61.5 | 79% | 0.794 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 117.1 | -7.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116 | S1706 | S1706-G1708 PolarHBondContact O-N 3.47Š|
| 1709 | S | 66.6 | Low | 68.9 | Low | 32 Ų | 32 | 62.7 Ų | 62.7 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | trans | -65.4 | 132.9 | 169.8 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | A1705 S1706 C1711 | A1705-S1709 VanDerWaalsContact CB-CB 3.43Å; A1705-S1709 VanDerWaalsContact CB-OG 3.29Å; A1705-S1709 WeakPolarHBondContact CB-OG 3.38Å; S1706-S1709 PolarHBondContact N-OG 2.77Å; S1706-S1709 PolarHBondContact O-N 2.63Å; S1706-S1709 PolarHBondContact O-OG 2.72Å; S1706-S1709 VanDerWaalsContact O-OG 3.09Å; S1709-C1711 PolarHBondContact O-N 3.26Å | ||
| 1710 | R | 80.7 | Confident | 68.2 | Low | 92 Ų | 92 | 61.9 Ų | 61.9 | 35% | 0.347 | 35% | 0.345 | S | S | . | . | trans | -79.8 | 111.7 | -176.7 | -59.8 | -175.4 | 66.2 | -152.9 | -7.4 | 109.9 | F1712 E1732 C1771 L1772 | R1710-F1712 HydrophobicContact CB-CE2 4.42Å; R1710-E1732 IonicContact CZ-OE1 3.51Å; R1710-E1732 IonicContact NE-OE1 2.73Å; R1710-E1732 PolarHBondContact NE-OE1 2.94Å; R1710-E1732 IonicContact NH2-OE1 3.67Å; R1710-E1732 PolarHBondContact NH2-OE1 2.71Å; R1710-E1732 IonicContact NH2-OE2 3.49Å; R1710-E1732 PolarHBondContact NH2-OE2 2.84Å; R1710-E1732 VanDerWaalsContact NH2-OE2 3.12Å; R1710-C1771 WeakPolarHBondContact O-CA 3.43Å; R1710-L1772 HydrophobicContact CB-CB 4.5Å; R1710-L1772 PolarHBondContact O-N 3Å | ||
| 1711 | C | 84.1 | Confident | 68.3 | Low | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.9 | -177.1 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | S1709 E1732 V1733 L1769 A1770 C1771 | S1709-C1711 PolarHBondContact O-N 3.26Å; C1711-E1732 CarbonylContact O-C 3.56Å; C1711-E1732 VanDerWaalsContact O-CA 3.29Å; C1711-E1732 WeakPolarHBondContact O-CA 3.3Å; C1711-V1733 HydrophobicContact CB-CG2 4.02Å; C1711-V1733 PolarHBondContact O-N 3.05Å; C1711-L1769 HydrophobicContact CB-CD1 4.15Å; C1711-A1770 CarbonylContact C-O 3.5Å; C1711-A1770 WeakPolarHBondContact CA-O 3.46Å; C1711-C1771 HydrophobicContact CB-CB 4.09Å; C1711-C1771 WeakPolarHBondContact CB-SG 3.39Å; C1711-C1771 WeakPolarHBondContact SG-CB 3.5Å; C1711-C1771 CovalentContact SG-SG 2.05Å; C1711-C1771 PolarHBondContact SG-SG 2.74Å |
| 1712 | F | 87.8 | Confident | 68.3 | Low | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 143 | 179.3 | -64.6 | -90.4 | 0 | 0 | 0 | 111.3 | R1710 L1731 E1732 A1770 F1777 | R1710-F1712 HydrophobicContact CB-CE2 4.42Å; F1712-L1731 CarbonylContact C-O 3.57Å; F1712-L1731 VanDerWaalsContact CA-O 3.3Å; F1712-L1731 WeakPolarHBondContact CA-O 3.14Å; F1712-E1732 HydrophobicContact CD1-CB 3.97Å; F1712-E1732 HydrophobicContact CD1-CG 4.41Å; F1712-E1732 HydrophobicContact CE1-CB 3.69Å; F1712-E1732 HydrophobicContact CE1-CG 3.97Å; F1712-E1732 HydrophobicContact CZ-CB 4.34Å; F1712-E1732 HydrophobicContact CZ-CG 4.1Å; F1712-A1770 PolarHBondContact N-O 2.79Å; F1712-A1770 PolarHBondContact O-N 2.82Å; F1712-F1777 AromaticContact CD2-CE1 3.88Å; F1712-F1777 HydrophobicContact CD2-CE1 3.88Å; F1712-F1777 HydrophobicContact CD2-CZ 4.49Å; F1712-F1777 HydrophobicContact CE2-CE1 4.13Å; F1712-F1777 HydrophobicContact CE2-CZ 4.4Å |
| 1713 | V | 85.5 | Confident | 68.4 | Low | 17 Ų | 17 | 65.9 Ų | 65.9 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.7 | 170.3 | -173.7 | 0 | 0 | 0 | 0 | 107.3 | Q1730 L1731 V1733 L1769 I1783 F1801 | V1713-Q1730 CarbonylContact O-C 3.6Å; V1713-Q1730 WeakPolarHBondContact O-CA 3.3Å; V1713-L1731 PolarHBondContact N-O 2.99Å; V1713-L1731 PolarHBondContact O-N 3.42Å; V1713-V1733 HydrophobicContact CG2-CB 4.46Å; V1713-V1733 HydrophobicContact CG2-CG1 3.82Å; V1713-V1733 HydrophobicContact CG2-CG2 3.74Å; V1713-L1769 HydrophobicContact CG2-CD1 3.85Å; V1713-I1783 HydrophobicContact CG1-CD1 3.4Å; V1713-I1783 HydrophobicContact CG1-CG1 4.01Å; V1713-F1801 HydrophobicContact CG1-CE1 4.36Å; V1713-F1801 HydrophobicContact CG2-CE1 3.91Å; V1713-F1801 HydrophobicContact CG2-CZ 3.83Å |
| 1714 | T | 89.1 | Confident | 68.7 | Low | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 146.2 | -175 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | H1582 Q1585 Q1729 Q1730 P1768 | H1582-T1714 HydrophobicContact CB-CG2 4.41Å; Q1585-T1714 VanDerWaalsContact OE1-CB 3.31Å; Q1585-T1714 PolarHBondContact OE1-O 3.19Å; Q1585-T1714 PolarHBondContact OE1-OG1 3.16Å; T1714-Q1729 VanDerWaalsContact CA-O 3.3Å; T1714-Q1729 WeakPolarHBondContact CA-O 3.5Å; T1714-Q1730 HydrophobicContact CG2-CB 3.68Å; T1714-P1768 WeakPolarHBondContact OG1-CG 3.37Å |
| 1715 | G | 87.6 | Confident | 69.4 | Low | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | 175.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q1729 D1764 | G1715-Q1729 PolarHBondContact N-O 3.32Å; G1715-Q1729 VanDerWaalsContact N-O 3.15Å; G1715-Q1729 PolarHBondContact O-N 3.04Å; G1715-D1764 WeakPolarHBondContact CA-OD1 3.31Å |
| 1716 | W | 86.6 | Confident | 70.6 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 2% | 0.023 | 33% | 0.326 | C | S | . | . | trans | -113 | 14.2 | 177.5 | -65.5 | -86.3 | 0 | 0 | 0 | 112.6 | Q1585 V1587 F1598 A1645 H1646 L1648 G1726 L1728 D1764 | Q1585-W1716 HydrophobicContact CB-CH2 4.43Å; Q1585-W1716 HydrophobicContact CG-CE3 4.48Å; Q1585-W1716 HydrophobicContact CG-CH2 3.41Å; Q1585-W1716 VanDerWaalsContact CG-CH2 3.41Å; Q1585-W1716 HydrophobicContact CG-CZ2 4.36Å; Q1585-W1716 HydrophobicContact CG-CZ3 3.49Å; Q1585-W1716 VanDerWaalsContact CG-CZ3 3.49Å; V1587-W1716 HydrophobicContact CB-CE3 4.25Å; V1587-W1716 HydrophobicContact CB-CZ3 3.88Å; F1598-W1716 HydrophobicContact CE2-CB 4.22Å; A1645-W1716 WeakPolarHBondContact O-CZ2 3.32Å; H1646-W1716 PolarHBondContact O-NE1 2.84Å; L1648-W1716 HydrophobicContact CD1-CB 3.77Å; L1648-W1716 HydrophobicContact CD1-CD2 3.56Å; L1648-W1716 HydrophobicContact CD1-CE3 4.07Å; L1648-W1716 HydrophobicContact CD1-CG 3.42Å; L1648-W1716 VanDerWaalsContact CD1-CG 3.42Å; L1648-W1716 HydrophobicContact CD2-CZ2 4.37Å; L1648-W1716 HydrophobicContact CG-CD2 3.96Å; L1648-W1716 HydrophobicContact CG-CG 3.93Å; L1648-W1716 HydrophobicContact CG-CZ2 4.42Å; W1716-G1726 VanDerWaalsContact CD1-O 3.32Å; W1716-L1728 HydrophobicContact CD2-CD1 3.84Å; W1716-L1728 HydrophobicContact CE3-CD1 4.09Å; W1716-L1728 HydrophobicContact CG-CD1 4.46Å; W1716-L1728 HydrophobicContact CH2-CD1 4.01Å; W1716-L1728 HydrophobicContact CZ2-CB 4.05Å; W1716-L1728 HydrophobicContact CZ2-CD1 3.73Å; W1716-L1728 HydrophobicContact CZ2-CD2 4.44Å; W1716-L1728 HydrophobicContact CZ2-CG 4.28Å; W1716-L1728 HydrophobicContact CZ3-CD1 4.17Å; W1716-D1764 PolarHBondContact N-OD1 3.07Å | ||
| 1717 | G | 72.9 | Confident | 72.1 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 173 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1719 P1725 Q1762 D1764 | G1717-T1719 PolarHBondContact O-N 2.82Å; G1717-P1725 VanDerWaalsContact O-CD 3.28Å; G1717-P1725 WeakPolarHBondContact O-CD 3.49Å; G1717-Q1762 WeakPolarHBondContact CA-O 3.31Å; G1717-D1764 VanDerWaalsContact CA-OD1 3.24Å; G1717-D1764 WeakPolarHBondContact CA-OD1 3.5Å; G1717-D1764 PolarHBondContact N-OD1 3.03Å |
| 1718 | R | 66.9 | Low | 73.8 | Confident | 139 Ų | 139 | 48 Ų | 48 | 53% | 0.525 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 129.3 | -179.4 | -76.7 | -179.8 | 175.3 | 147 | 0.3 | 111.2 | N1724 A1761 Q1762 | R1718-N1724 VanDerWaalsContact CG-OD1 3.3Å; R1718-N1724 WeakPolarHBondContact CG-OD1 3.48Å; R1718-A1761 HydrophobicContact CB-CB 4.12Å; R1718-A1761 WeakPolarHBondContact O-CB 3.4Å; R1718-Q1762 PolarHBondContact N-O 2.86Å; R1718-Q1762 VanDerWaalsContact N-O 3.14Å |
| 1719 | T | 61 | Low | 75.2 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 168.3 | 166.8 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | G1717 N1721 G1722 R1723 P1725 Q1729 | G1717-T1719 PolarHBondContact O-N 2.82Å; T1719-N1721 PolarHBondContact O-N 2.94Å; T1719-G1722 PolarHBondContact O-N 3.21Å; T1719-R1723 PolarHBondContact N-O 3.21Å; T1719-R1723 VanDerWaalsContact N-O 3.13Å; T1719-R1723 PolarHBondContact OG1-O 2.94Å; T1719-P1725 HydrophobicContact CG2-CB 4.22Å; T1719-P1725 HydrophobicContact CG2-CG 4.05Å; T1719-Q1729 HydrophobicContact CG2-CG 4.49Å |
| 1720 | G | 54.9 | Low | 76.1 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 66% | 0.66 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -16.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | G1722 | G1720-G1722 VanDerWaalsContact C-N 3.28Å; G1720-G1722 PolarHBondContact O-N 2.7Å |
| 1721 | N | 55.8 | Low | 76.1 | Confident | 118 Ų | 118 | 41.4 Ų | 41.4 | 63% | 0.631 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 6.5 | 173.2 | -64.3 | -17.7 | 0 | 0 | 0 | 113.7 | T1719 R1723 | T1719-N1721 PolarHBondContact O-N 2.94Å; N1721-R1723 PolarHBondContact O-N 2.91Å; N1721-R1723 VanDerWaalsContact O-N 3.16Å |
| 1722 | G | 56 | Low | 75.9 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 70.2 | 3.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1719 G1720 | T1719-G1722 PolarHBondContact O-N 3.21Å; G1720-G1722 VanDerWaalsContact C-N 3.28Å; G1720-G1722 PolarHBondContact O-N 2.7Å |
| 1723 | R | 63.6 | Low | 75.3 | Confident | 198 Ų | 198 | 44.8 Ų | 44.8 | 75% | 0.747 | 24% | 0.239 | S | C | * | . | trans | -99.3 | 142.2 | -179.8 | -70.1 | -176.6 | 179.1 | 174.9 | 0.2 | 111.5 | T1719 N1721 | T1719-R1723 PolarHBondContact N-O 3.21Å; T1719-R1723 VanDerWaalsContact N-O 3.13Å; T1719-R1723 PolarHBondContact OG1-O 2.94Å; N1721-R1723 PolarHBondContact O-N 2.91Å; N1721-R1723 VanDerWaalsContact O-N 3.16Å | ||
| 1724 | N | 66.2 | Low | 74.5 | Confident | 66 Ų | 66 | 47.1 Ų | 47.1 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | trans | -73 | 121 | 168 | -71.5 | 6.7 | 0 | 0 | 0 | 108.9 | K1649 R1718 G1726 | K1649-N1724 PolarHBondContact NZ-O 3.39Å; R1718-N1724 VanDerWaalsContact CG-OD1 3.3Å; R1718-N1724 WeakPolarHBondContact CG-OD1 3.48Å; N1724-G1726 PolarHBondContact O-N 2.94Å | ||
| 1725 | P | 72.6 | Confident | 73.5 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | trans | -60.9 | -35.4 | -177.3 | 22.9 | -29.5 | 0 | 0 | 0 | 110.6 | K1649 G1717 T1719 E1727 Q1729 | K1649-P1725 PolarHBondContact NZ-O 3.04Å; G1717-P1725 VanDerWaalsContact O-CD 3.28Å; G1717-P1725 WeakPolarHBondContact O-CD 3.49Å; T1719-P1725 HydrophobicContact CG2-CB 4.22Å; T1719-P1725 HydrophobicContact CG2-CG 4.05Å; P1725-E1727 WeakPolarHBondContact CG-O 3.32Å; P1725-E1727 PolarHBondContact O-N 3.23Å; P1725-Q1729 HydrophobicContact CB-CG 4.1Å; P1725-Q1729 HydrophobicContact CG-CG 3.61Å | ||
| 1726 | G | 77.2 | Confident | 72.1 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 87.3 | -43.9 | -172 | 0 | 0 | 0 | 0 | 0 | 110.7 | N1647 L1648 W1716 N1724 | N1647-G1726 CarbonylContact C-O 3.51Å; N1647-G1726 VanDerWaalsContact CA-O 3.32Å; N1647-G1726 WeakPolarHBondContact CA-O 3.34Å; L1648-G1726 PolarHBondContact N-O 3.07Å; W1716-G1726 VanDerWaalsContact CD1-O 3.32Å; N1724-G1726 PolarHBondContact O-N 2.94Å |
| 1727 | E | 85.9 | Confident | 70.3 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -81.9 | 147.4 | 170.2 | -67 | 131.7 | 178 | 0 | 0 | 112.2 | E1576 H1646 N1647 P1725 Q1729 | E1576-E1727 HydrophobicContact CG-CB 3.97Å; H1646-E1727 CarbonylContact O-C 3.58Å; H1646-E1727 WeakPolarHBondContact O-CA 3.34Å; N1647-E1727 HydrophobicContact CB-CG 4.18Å; N1647-E1727 PolarHBondContact ND2-OE1 3.23Å; P1725-E1727 WeakPolarHBondContact CG-O 3.32Å; P1725-E1727 PolarHBondContact O-N 3.23Å; E1727-Q1729 PolarHBondContact O-N 3.09Å; E1727-Q1729 PolarHBondContact O-NE2 3.35Å |
| 1728 | L | 89.6 | Confident | 68.9 | Low | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 129.7 | 177.9 | -177.8 | 64.1 | 0 | 0 | 0 | 110.4 | A1577 H1582 Q1585 H1646 W1716 | A1577-L1728 HydrophobicContact CB-CB 4.36Å; A1577-L1728 HydrophobicContact CB-CD2 4.13Å; A1577-L1728 HydrophobicContact CB-CG 4.07Å; A1577-L1728 PolarHBondContact N-O 2.05Å; H1582-L1728 HydrophobicContact CB-CD2 4.47Å; Q1585-L1728 HydrophobicContact CB-CD2 4.38Å; Q1585-L1728 HydrophobicContact CG-CD1 3.84Å; Q1585-L1728 HydrophobicContact CG-CD2 4.22Å; H1646-L1728 PolarHBondContact O-N 2.99Å; W1716-L1728 HydrophobicContact CD2-CD1 3.84Å; W1716-L1728 HydrophobicContact CE3-CD1 4.09Å; W1716-L1728 HydrophobicContact CG-CD1 4.46Å; W1716-L1728 HydrophobicContact CH2-CD1 4.01Å; W1716-L1728 HydrophobicContact CZ2-CB 4.05Å; W1716-L1728 HydrophobicContact CZ2-CD1 3.73Å; W1716-L1728 HydrophobicContact CZ2-CD2 4.44Å; W1716-L1728 HydrophobicContact CZ2-CG 4.28Å; W1716-L1728 HydrophobicContact CZ3-CD1 4.17Å |
| 1729 | Q | 87.9 | Confident | 67.7 | Low | 40 Ų | 40 | 58.8 Ų | 58.8 | 19% | 0.187 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 151.8 | 175.8 | -54.4 | -58.6 | -64.3 | 0 | 0 | 110.3 | F1575 T1714 G1715 T1719 P1725 E1727 | F1575-Q1729 WeakPolarHBondContact O-CA 3.21Å; T1714-Q1729 VanDerWaalsContact CA-O 3.3Å; T1714-Q1729 WeakPolarHBondContact CA-O 3.5Å; G1715-Q1729 PolarHBondContact N-O 3.32Å; G1715-Q1729 VanDerWaalsContact N-O 3.15Å; G1715-Q1729 PolarHBondContact O-N 3.04Å; T1719-Q1729 HydrophobicContact CG2-CG 4.49Å; P1725-Q1729 HydrophobicContact CB-CG 4.1Å; P1725-Q1729 HydrophobicContact CG-CG 3.61Å; E1727-Q1729 PolarHBondContact O-N 3.09Å; E1727-Q1729 PolarHBondContact O-NE2 3.35Å |
| 1730 | Q | 86.1 | Confident | 66.9 | Low | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.009 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.5 | 172.3 | 67.3 | 178.4 | -20.3 | 0 | 0 | 111.4 | P1561 G1574 F1575 A1577 H1582 V1713 T1714 | P1561-Q1730 PolarHBondContact O-NE2 3.4Å; G1574-Q1730 CarbonylContact C-O 3.52Å; G1574-Q1730 VanDerWaalsContact CA-O 3.3Å; G1574-Q1730 WeakPolarHBondContact CA-O 3.37Å; F1575-Q1730 HydrophobicContact CD1-CG 4.5Å; F1575-Q1730 HydrophobicContact CD2-CG 4.07Å; F1575-Q1730 HydrophobicContact CE1-CG 4.23Å; F1575-Q1730 HydrophobicContact CE2-CG 3.82Å; F1575-Q1730 HydrophobicContact CG-CG 4.42Å; F1575-Q1730 HydrophobicContact CZ-CG 3.87Å; F1575-Q1730 PolarHBondContact N-O 2.82Å; F1575-Q1730 PolarHBondContact O-N 2.98Å; A1577-Q1730 HydrophobicContact CB-CB 4.15Å; A1577-Q1730 HydrophobicContact CB-CG 4.1Å; H1582-Q1730 PolarHBondContact NE2-OE1 2.88Å; V1713-Q1730 CarbonylContact O-C 3.6Å; V1713-Q1730 WeakPolarHBondContact O-CA 3.3Å; T1714-Q1730 HydrophobicContact CG2-CB 3.68Å |
| 1731 | L | 80.7 | Confident | 66.2 | Low | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 127 | 173.5 | 169.9 | 63.7 | 0 | 0 | 0 | 109 | H1573 F1712 V1713 V1733 E1757 | H1573-L1731 VanDerWaalsContact C-CD1 3.45Å; H1573-L1731 HydrophobicContact CB-CD1 3.75Å; H1573-L1731 WeakPolarHBondContact O-CD1 3.22Å; F1712-L1731 CarbonylContact C-O 3.57Å; F1712-L1731 VanDerWaalsContact CA-O 3.3Å; F1712-L1731 WeakPolarHBondContact CA-O 3.14Å; V1713-L1731 PolarHBondContact N-O 2.99Å; V1713-L1731 PolarHBondContact O-N 3.42Å; L1731-V1733 HydrophobicContact CD2-CG1 3.75Å; L1731-V1733 HydrophobicContact CG-CG1 3.72Å; L1731-E1757 WeakPolarHBondContact CD1-O 3.45Å; L1731-E1757 WeakPolarHBondContact CD2-O 3.46Å |
| 1732 | E | 80.3 | Confident | 65.5 | Low | 72 Ų | 72 | 63 Ų | 63 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 122.9 | 170.4 | -169.4 | 165 | -173 | 0 | 0 | 108.6 | R1710 C1711 F1712 | R1710-E1732 IonicContact CZ-OE1 3.51Å; R1710-E1732 IonicContact NE-OE1 2.73Å; R1710-E1732 PolarHBondContact NE-OE1 2.94Å; R1710-E1732 IonicContact NH2-OE1 3.67Å; R1710-E1732 PolarHBondContact NH2-OE1 2.71Å; R1710-E1732 IonicContact NH2-OE2 3.49Å; R1710-E1732 PolarHBondContact NH2-OE2 2.84Å; R1710-E1732 VanDerWaalsContact NH2-OE2 3.12Å; C1711-E1732 CarbonylContact O-C 3.56Å; C1711-E1732 VanDerWaalsContact O-CA 3.29Å; C1711-E1732 WeakPolarHBondContact O-CA 3.3Å; F1712-E1732 HydrophobicContact CD1-CB 3.97Å; F1712-E1732 HydrophobicContact CD1-CG 4.41Å; F1712-E1732 HydrophobicContact CE1-CB 3.69Å; F1712-E1732 HydrophobicContact CE1-CG 3.97Å; F1712-E1732 HydrophobicContact CZ-CB 4.34Å; F1712-E1732 HydrophobicContact CZ-CG 4.1Å |
| 1733 | V | 74.7 | Confident | 64.9 | Low | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.1 | -175.3 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | C1711 V1713 L1731 L1769 | C1711-V1733 HydrophobicContact CB-CG2 4.02Å; C1711-V1733 PolarHBondContact O-N 3.05Å; V1713-V1733 HydrophobicContact CG2-CB 4.46Å; V1713-V1733 HydrophobicContact CG2-CG1 3.82Å; V1713-V1733 HydrophobicContact CG2-CG2 3.74Å; L1731-V1733 HydrophobicContact CD2-CG1 3.75Å; L1731-V1733 HydrophobicContact CG-CG1 3.72Å; V1733-L1769 HydrophobicContact CG2-CD1 3.75Å |
| 1734 | S | 70 | Confident | 64.1 | Low | 66 Ų | 66 | 59.8 Ų | 59.8 | 46% | 0.462 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -97.7 | 116.4 | 172.4 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | E1757 | S1734-E1757 PolarHBondContact N-OE2 3.05Š|
| 1735 | L | 67.6 | Low | 63.1 | Low | 25 Ų | 25 | 60.8 Ų | 60.8 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 130.4 | 176 | -62.9 | 176.7 | 0 | 0 | 0 | 111.5 | I1704 L1769 | I1704-L1735 HydrophobicContact CG2-CD1 4.23Å; L1735-L1769 HydrophobicContact CD1-CD2 4.34Å; L1735-L1769 HydrophobicContact CD2-CD1 4.41Å; L1735-L1769 HydrophobicContact CD2-CD2 3.89Å |
| 1736 | Y | 57.2 | Low | 61.9 | Low | 121 Ų | 121 | 62.1 Ų | 62.1 | 48% | 0.475 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 121.6 | 173 | -105.5 | -97.6 | 0 | 0 | 0 | 110.6 | G1738 | Y1736-G1738 PolarHBondContact O-N 3.22Š|
| 1737 | G | 49.5 | Very low | 60.7 | Low | 86 Ų | 86 | 69.3 Ų | 69.3 | 89% | 0.887 | 39% | 0.394 | S | S | * | . | trans | -72.6 | 20.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1738 | G | 42.7 | Very low | 59.4 | Low | 43 Ų | 43 | 74.7 Ų | 74.7 | 44% | 0.443 | 42% | 0.416 | S | S | . | . | trans | -92.3 | 145.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y1736 V1740 | Y1736-G1738 PolarHBondContact O-N 3.22Å; G1738-V1740 PolarHBondContact O-N 3.06Å; G1738-V1740 VanDerWaalsContact O-N 3.14Å | ||
| 1739 | I | 42.3 | Very low | 58.1 | Low | 125 Ų | 125 | 78.3 Ų | 78.3 | 64% | 0.641 | 43% | 0.432 | S | S | * | . | trans | -67.9 | 106.8 | -178.7 | -58.1 | 166.5 | 0 | 0 | 0 | 109.4 | Q1741 | I1739-Q1741 HydrophobicContact CG2-CG 4.03Å; I1739-Q1741 PolarHBondContact O-N 3.03Å | ||
| 1740 | V | 44 | Very low | 57.2 | Low | 44 Ų | 44 | 77.9 Ų | 77.9 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | trans | -78.4 | 103.8 | 164.3 | -175 | 0 | 0 | 0 | 0 | 107.3 | G1738 Y1742 C1752 V1789 | G1738-V1740 PolarHBondContact O-N 3.06Å; G1738-V1740 VanDerWaalsContact O-N 3.14Å; V1740-Y1742 PolarHBondContact O-N 3.32Å; V1740-C1752 HydrophobicContact CG2-CB 3.91Å; V1740-V1789 HydrophobicContact CG1-CB 4.4Å; V1740-V1789 HydrophobicContact CG1-CG1 3.66Å; V1740-V1789 HydrophobicContact CG1-CG2 4.15Å | ||
| 1741 | Q | 40.8 | Very low | 56.5 | Low | 148 Ų | 148 | 78.5 Ų | 78.5 | 69% | 0.692 | 43% | 0.434 | S | S | * | . | trans | -83.3 | 96.3 | 172.5 | -91.4 | -173.7 | -23.8 | 0 | 0 | 108.5 | I1739 | I1739-Q1741 HydrophobicContact CG2-CG 4.03Å; I1739-Q1741 PolarHBondContact O-N 3.03Å | ||
| 1742 | Y | 39.6 | Very low | 55.9 | Low | 118 Ų | 118 | 78.5 Ų | 78.5 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | trans | -132.6 | 136.6 | 160.6 | -145 | -92.8 | 0 | 0 | 0 | 110.6 | V1740 G1744 Y1745 V1789 | V1740-Y1742 PolarHBondContact O-N 3.32Å; Y1742-G1744 PolarHBondContact O-N 3.01Å; Y1742-Y1745 HydrophobicContact CD1-CE2 4.43Å; Y1742-V1789 HydrophobicContact CD2-CG1 3.83Å | ||
| 1743 | S | 43.7 | Very low | 55.1 | Low | 111 Ų | 111 | 75.4 Ų | 75.4 | 78% | 0.776 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 105.8 | -178.7 | 49.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1744 | G | 47.6 | Very low | 54.4 | Low | 64 Ų | 64 | 79.2 Ų | 79.2 | 66% | 0.66 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.5 | -22.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1742 | Y1742-G1744 PolarHBondContact O-N 3.01Š|
| 1745 | Y | 44.2 | Very low | 53.5 | Low | 87 Ų | 87 | 77.6 Ų | 77.6 | 34% | 0.341 | 42% | 0.42 | S | S | . | . | trans | -101.7 | 139.3 | -172.7 | -64.5 | -86.3 | 0 | 0 | 0 | 113.3 | N1672 Y1742 K1747 F1785 | N1672-Y1745 VanDerWaalsContact O-CE1 3.23Å; N1672-Y1745 WeakPolarHBondContact O-CE1 3.46Å; Y1742-Y1745 HydrophobicContact CD1-CE2 4.43Å; Y1745-K1747 PolarHBondContact O-N 2.9Å; Y1745-F1785 HydrophobicContact CD1-CZ 4.41Å; Y1745-F1785 HydrophobicContact CE1-CE1 4.34Å; Y1745-F1785 AromaticContact CE1-CZ 3.66Å; Y1745-F1785 HydrophobicContact CE1-CZ 3.66Å | ||
| 1746 | S | 48.1 | Very low | 52.8 | Low | 52 Ų | 52 | 81.3 Ų | 81.3 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | trans | -79.3 | 111.7 | 179.2 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | K1748 K1749 | S1746-K1748 PolarHBondContact O-N 3.33Å; S1746-K1749 PolarHBondContact O-N 3.15Å; S1746-K1749 VanDerWaalsContact O-N 3.09Å | ||
| 1747 | K | 51.8 | Low | 52.5 | Low | 156 Ų | 156 | 78.8 Ų | 78.8 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -20.5 | 176.6 | -68.8 | -175.6 | 178.1 | -178.1 | 0 | 115.6 | Y1745 | Y1745-K1747 PolarHBondContact O-N 2.9Š|
| 1748 | K | 58.8 | Low | 52.5 | Low | 181 Ų | 181 | 75 Ų | 75 | 79% | 0.787 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -11.1 | -175.4 | -68.1 | -173.9 | 177.3 | -178.1 | 0 | 114.3 | S1746 | S1746-K1748 PolarHBondContact O-N 3.33Š|
| 1749 | K | 63 | Low | 52.8 | Low | 80 Ų | 80 | 75 Ų | 75 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -9.2 | -169.2 | -66.7 | -165.3 | 173.4 | -163.6 | 0 | 115.3 | D1675 S1746 K1803 | D1675-K1749 VanDerWaalsContact OD1-CD 3.29Å; D1675-K1749 WeakPolarHBondContact OD1-CD 3.35Å; D1675-K1749 IonicContact OD1-NZ 3.75Å; D1675-K1749 PolarHBondContact OD1-NZ 2.88Å; D1675-K1749 IonicContact OD2-NZ 3.05Å; D1675-K1749 PolarHBondContact OD2-NZ 3.04Å; S1746-K1749 PolarHBondContact O-N 3.15Å; S1746-K1749 VanDerWaalsContact O-N 3.09Å; K1749-K1803 VanDerWaalsContact O-CB 3.24Å; K1749-K1803 WeakPolarHBondContact O-CB 3.26Å; K1749-K1803 PolarHBondContact O-N 3.01Å |
| 1750 | M | 67.8 | Low | 53.2 | Low | 31 Ų | 31 | 70.5 Ų | 70.5 | 15% | 0.153 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.1 | -178.3 | -63.1 | -59.2 | -167.8 | 0 | 0 | 111.6 | E1673 F1785 V1800 F1801 | E1673-M1750 VanDerWaalsContact O-CE 3.24Å; E1673-M1750 WeakPolarHBondContact O-CE 3.4Å; M1750-F1785 HydrophobicContact CE-CE1 4.43Å; M1750-V1800 HydrophobicContact CB-CG1 4.11Å; M1750-V1800 HydrophobicContact CG-CG1 4.24Å; M1750-V1800 HydrophobicContact SD-CG1 4.05Å; M1750-F1801 CarbonylContact C-O 3.57Å; M1750-F1801 WeakPolarHBondContact CA-O 3.23Å |
| 1751 | L | 72.4 | Confident | 53.9 | Low | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.8 | 173.7 | -59.6 | 167.5 | 0 | 0 | 0 | 109.7 | I1704 L1769 Y1780 V1800 F1801 | I1704-L1751 HydrophobicContact CD1-CD2 3.5Å; I1704-L1751 HydrophobicContact CG1-CD2 3.96Å; I1704-L1751 HydrophobicContact CG2-CD2 4.39Å; L1751-L1769 HydrophobicContact CD1-CD2 4.04Å; L1751-Y1780 WeakPolarHBondContact CD1-O 3.49Å; L1751-V1800 WeakPolarHBondContact O-CA 3.39Å; L1751-F1801 HydrophobicContact CB-CB 4.24Å; L1751-F1801 HydrophobicContact CB-CD2 4.36Å; L1751-F1801 PolarHBondContact N-O 3.2Å; L1751-F1801 PolarHBondContact O-N 3.1Å |
| 1752 | C | 67.7 | Low | 54.6 | Low | 21 Ų | 21 | 70 Ų | 70 | 14% | 0.142 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.1 | -178.2 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | V1740 F1798 G1799 | V1740-C1752 HydrophobicContact CG2-CB 3.91Å; C1752-F1798 HydrophobicContact CB-CB 4.48Å; C1752-F1798 HydrophobicContact CB-CD1 4.42Å; C1752-G1799 WeakPolarHBondContact CA-O 3.48Å |
| 1753 | H | 64.1 | Low | 55.4 | Low | 6 Ų | 6 | 64.8 Ų | 64.8 | 3% | 0.028 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.8 | 172.6 | 119.3 | 86.4 | 0 | 0 | 0 | 110.8 | G1758 F1798 G1799 F1801 | H1753-G1758 PolarHBondContact CE1-O 2.95Å; H1753-G1758 PolarHBondContact NE2-O 3.17Å; H1753-F1798 VanDerWaalsContact O-CA 3.28Å; H1753-F1798 WeakPolarHBondContact O-CA 3.32Å; H1753-F1798 WeakPolarHBondContact O-CB 2.75Å; H1753-F1798 VanDerWaalsContact O-CD1 3.31Å; H1753-F1798 WeakPolarHBondContact O-CD1 3.13Å; H1753-G1799 PolarHBondContact N-O 3.44Å; H1753-G1799 PolarHBondContact O-N 2.84Å; H1753-F1801 HydrophobicContact CB-CE2 4.43Å |
| 1754 | R | 58.9 | Low | 56.9 | Low | 82 Ų | 82 | 60.5 Ų | 60.5 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.4 | -176.9 | -74.9 | 176.2 | 86.7 | -172.8 | 3.9 | 111.6 | N1756 E1757 E1796 F1798 | R1754-N1756 PolarHBondContact O-N 2.87Å; R1754-N1756 VanDerWaalsContact O-N 3.08Å; R1754-E1757 PolarHBondContact O-N 3.4Å; R1754-E1757 VanDerWaalsContact O-N 3.1Å; R1754-E1796 IonicContact CZ-OE1 3.96Å; R1754-E1796 IonicContact CZ-OE2 2.84Å; R1754-E1796 VanDerWaalsContact CZ-OE2 3.31Å; R1754-E1796 IonicContact NE-OE1 3.87Å; R1754-E1796 IonicContact NE-OE2 3.36Å; R1754-E1796 PolarHBondContact NE-OE2 2.59Å; R1754-E1796 VanDerWaalsContact NH2-CD 3.29Å; R1754-E1796 IonicContact NH2-OE1 3.27Å; R1754-E1796 PolarHBondContact NH2-OE1 3.16Å; R1754-E1796 IonicContact NH2-OE2 3.53Å; R1754-E1796 PolarHBondContact NH2-OE2 3.4Å; R1754-E1796 VanDerWaalsContact NH2-OE2 3.07Å; R1754-F1798 HydrophobicContact CG-CD1 4.23Å; R1754-F1798 HydrophobicContact CG-CE1 3.6Å; R1754-F1798 HydrophobicContact CG-CZ 4.3Å |
| 1755 | M | 51.4 | Low | 58.4 | Low | 33 Ų | 33 | 58.6 Ų | 58.6 | 16% | 0.163 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -69.8 | -5.5 | -179.6 | -70.2 | 174.9 | 77.2 | 0 | 0 | 115.1 | E1757 G1758 E1797 | M1755-E1757 PolarHBondContact O-N 2.82Å; M1755-G1758 WeakPolarHBondContact O-CA 3.36Å; M1755-G1758 PolarHBondContact O-N 3.08Å; M1755-E1797 HydrophobicContact CB-CB 4.09Å; M1755-E1797 VanDerWaalsContact CB-O 3.29Å; M1755-E1797 WeakPolarHBondContact CB-O 3.38Å; M1755-E1797 HydrophobicContact CG-CB 4.23Å; M1755-E1797 WeakPolarHBondContact CG-O 3.23Å; M1755-E1797 PolarHBondContact N-O 3.12Å; M1755-E1797 HydrophobicContact SD-CB 3.48Å; M1755-E1797 WeakPolarHBondContact SD-CB 2.99Å |
| 1756 | N | 53.5 | Low | 60.3 | Low | 103 Ų | 103 | 54.4 Ų | 54.4 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -59.4 | -13.4 | 165.7 | -69.1 | -14.7 | 0 | 0 | 0 | 112.3 | H1573 R1754 E1796 | H1573-N1756 PolarHBondContact CE1-O 2.86Å; H1573-N1756 PolarHBondContact NE2-O 2.79Å; R1754-N1756 PolarHBondContact O-N 2.87Å; R1754-N1756 VanDerWaalsContact O-N 3.08Å; N1756-E1796 PolarHBondContact ND2-OE1 2.82Å |
| 1757 | E | 49.9 | Very low | 62.2 | Low | 68 Ų | 68 | 52 Ų | 52 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -100.9 | 13.9 | 170.2 | -64.9 | 175.8 | -166.2 | 0 | 0 | 112.9 | H1573 L1731 S1734 R1754 M1755 | H1573-E1757 WeakPolarHBondContact CB-O 3.15Å; H1573-E1757 VanDerWaalsContact CG-O 3.28Å; L1731-E1757 WeakPolarHBondContact CD1-O 3.45Å; L1731-E1757 WeakPolarHBondContact CD2-O 3.46Å; S1734-E1757 PolarHBondContact N-OE2 3.05Å; R1754-E1757 PolarHBondContact O-N 3.4Å; R1754-E1757 VanDerWaalsContact O-N 3.1Å; M1755-E1757 PolarHBondContact O-N 2.82Å |
| 1758 | G | 50.2 | Low | 64.1 | Low | 7 Ų | 7 | 44.5 Ų | 44.5 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | trans | 102.2 | 152.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1573 H1753 M1755 | H1573-G1758 PolarHBondContact CD2-N 2.91Å; H1753-G1758 PolarHBondContact CE1-O 2.95Å; H1753-G1758 PolarHBondContact NE2-O 3.17Å; M1755-G1758 WeakPolarHBondContact O-CA 3.36Å; M1755-G1758 PolarHBondContact O-N 3.08Å | ||
| 1759 | G | 48.1 | Very low | 65.5 | Low | 43 Ų | 43 | 35.9 Ų | 35.9 | 44% | 0.443 | 20% | 0.198 | S | C | . | . | trans | -123.4 | 154.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1760 | S | 52.3 | Low | 66.7 | Low | 29 Ų | 29 | 32.1 Ų | 32.1 | 20% | 0.203 | 18% | 0.181 | C | C | . | . | trans | -75 | 136.6 | 166.6 | 41.7 | 0 | 0 | 0 | 0 | 110.7 | S1786 | S1760-S1786 PolarHBondContact OG-OG 2.77Š| ||
| 1761 | A | 58 | Low | 67.7 | Low | 33 Ų | 33 | 30.6 Ų | 30.6 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | trans | -115.8 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1718 G1763 D1764 | R1718-A1761 HydrophobicContact CB-CB 4.12Å; R1718-A1761 WeakPolarHBondContact O-CB 3.4Å; A1761-G1763 PolarHBondContact O-N 3.39Å; A1761-G1763 VanDerWaalsContact O-N 3.17Å; A1761-D1764 PolarHBondContact N-OD2 3.47Å; A1761-D1764 PolarHBondContact O-N 2.98Å | ||
| 1762 | Q | 54.7 | Low | 68.4 | Low | 149 Ų | 149 | 32.2 Ų | 32.2 | 70% | 0.696 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 123.3 | 171.6 | -125.3 | 94.2 | 41.4 | 0 | 0 | 110.2 | G1717 R1718 | G1717-Q1762 WeakPolarHBondContact CA-O 3.31Å; R1718-Q1762 PolarHBondContact N-O 2.86Å; R1718-Q1762 VanDerWaalsContact N-O 3.14Å |
| 1763 | G | 58.4 | Low | 69 | Low | 9 Ų | 9 | 34.7 Ų | 34.7 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.9 | -16 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1761 | A1761-G1763 PolarHBondContact O-N 3.39Å; A1761-G1763 VanDerWaalsContact O-N 3.17Å |
| 1764 | D | 73.6 | Confident | 69.7 | Low | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.112 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -19.8 | 177 | -58.4 | -41.7 | 0 | 0 | 0 | 113 | G1715 W1716 G1717 A1761 G1766 G1767 I1783 | G1715-D1764 WeakPolarHBondContact CA-OD1 3.31Å; W1716-D1764 PolarHBondContact N-OD1 3.07Å; G1717-D1764 VanDerWaalsContact CA-OD1 3.24Å; G1717-D1764 WeakPolarHBondContact CA-OD1 3.5Å; G1717-D1764 PolarHBondContact N-OD1 3.03Å; A1761-D1764 PolarHBondContact N-OD2 3.47Å; A1761-D1764 PolarHBondContact O-N 2.98Å; D1764-G1766 PolarHBondContact O-N 2.81Å; D1764-G1767 PolarHBondContact O-N 2.82Å; D1764-I1783 HydrophobicContact CB-CD1 4.18Å; D1764-I1783 VanDerWaalsContact O-CD1 3.32Å; D1764-I1783 WeakPolarHBondContact O-CD1 3.24Å |
| 1765 | S | 80.1 | Confident | 70.7 | Confident | 23 Ų | 23 | 43.6 Ų | 43.6 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 132.7 | 176.8 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | C1599 G1600 H1620 G1767 | C1599-S1765 CarbonylContact C-O 3.41Å; C1599-S1765 WeakPolarHBondContact CA-O 3.24Å; C1599-S1765 WeakPolarHBondContact CB-O 3.38Å; G1600-S1765 PolarHBondContact N-O 2.75Å; H1620-S1765 WeakPolarHBondContact NE2-CB 3.4Å; H1620-S1765 PolarHBondContact NE2-OG 3.48Å; S1765-G1767 VanDerWaalsContact C-N 3.3Å |
| 1766 | G | 83.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -8.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | G1600 G1601 D1764 I1783 | G1600-G1766 VanDerWaalsContact C-C 3.4Å; G1600-G1766 CarbonylContact C-O 3.6Å; G1600-G1766 CarbonylContact O-C 3.55Å; G1600-G1766 VanDerWaalsContact O-C 3.23Å; G1600-G1766 WeakPolarHBondContact O-CA 3.26Å; G1601-G1766 VanDerWaalsContact CA-O 3.32Å; G1601-G1766 WeakPolarHBondContact CA-O 3.39Å; G1601-G1766 PolarHBondContact N-O 3.01Å; D1764-G1766 PolarHBondContact O-N 2.81Å; G1766-I1783 PolarHBondContact N-O 2.81Å |
| 1767 | G | 87.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -69.5 | 164.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1764 S1765 I1782 I1783 | D1764-G1767 PolarHBondContact O-N 2.82Å; S1765-G1767 VanDerWaalsContact C-N 3.3Å; G1767-I1782 WeakPolarHBondContact O-CA 3.23Å; G1767-I1783 WeakPolarHBondContact O-CG1 3.26Å; G1767-I1783 PolarHBondContact O-N 2.84Å | ||
| 1768 | P | 91.1 | Very high | 76 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 144.3 | -176.6 | 27.6 | -31.4 | 0 | 0 | 0 | 113.8 | Q1585 S1602 T1714 L1779 | Q1585-P1768 VanDerWaalsContact OE1-CD 3.23Å; S1602-P1768 VanDerWaalsContact OG-CB 3.28Å; S1602-P1768 WeakPolarHBondContact OG-CB 3.13Å; T1714-P1768 WeakPolarHBondContact OG1-CG 3.37Å; P1768-L1779 HydrophobicContact CB-CD1 3.56Å |
| 1769 | L | 88.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 97.4 | 152.3 | 175.5 | 69 | 0 | 0 | 0 | 108.5 | C1711 V1713 V1733 L1735 L1751 Y1780 G1781 F1801 | C1711-L1769 HydrophobicContact CB-CD1 4.15Å; V1713-L1769 HydrophobicContact CG2-CD1 3.85Å; V1733-L1769 HydrophobicContact CG2-CD1 3.75Å; L1735-L1769 HydrophobicContact CD1-CD2 4.34Å; L1735-L1769 HydrophobicContact CD2-CD1 4.41Å; L1735-L1769 HydrophobicContact CD2-CD2 3.89Å; L1751-L1769 HydrophobicContact CD1-CD2 4.04Å; L1769-Y1780 PolarHBondContact O-N 3.02Å; L1769-G1781 WeakPolarHBondContact CB-O 2.89Å; L1769-G1781 PolarHBondContact N-O 2.92Å; L1769-F1801 HydrophobicContact CB-CD1 3.77Å; L1769-F1801 HydrophobicContact CB-CE1 3.96Å; L1769-F1801 HydrophobicContact CB-CG 4.34Å; L1769-F1801 HydrophobicContact CD1-CE1 4.15Å; L1769-F1801 HydrophobicContact CD1-CZ 4.12Å; L1769-F1801 HydrophobicContact CD2-CB 4.31Å; L1769-F1801 HydrophobicContact CD2-CD1 4.12Å; L1769-F1801 HydrophobicContact CD2-CD2 3.97Å; L1769-F1801 HydrophobicContact CD2-CE1 4.42Å; L1769-F1801 HydrophobicContact CD2-CE2 4.31Å; L1769-F1801 HydrophobicContact CD2-CG 3.88Å; L1769-F1801 HydrophobicContact CG-CD1 4.38Å; L1769-F1801 HydrophobicContact CG-CE1 4.4Å |
| 1770 | A | 89.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W1584 I1695 C1711 F1712 F1777 | W1584-A1770 HydrophobicContact CZ2-CB 4.43Å; I1695-A1770 HydrophobicContact CD1-CB 3.5Å; I1695-A1770 VanDerWaalsContact CD1-CB 3.5Å; C1711-A1770 CarbonylContact C-O 3.5Å; C1711-A1770 WeakPolarHBondContact CA-O 3.46Å; F1712-A1770 PolarHBondContact N-O 2.79Å; F1712-A1770 PolarHBondContact O-N 2.82Å; A1770-F1777 HydrophobicContact CB-CD1 4.16Å |
| 1771 | C | 88.5 | Confident | 81 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 137 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | R1710 C1711 K1773 F1777 V1778 Y1780 | R1710-C1771 WeakPolarHBondContact O-CA 3.43Å; C1711-C1771 HydrophobicContact CB-CB 4.09Å; C1711-C1771 WeakPolarHBondContact CB-SG 3.39Å; C1711-C1771 WeakPolarHBondContact SG-CB 3.5Å; C1711-C1771 CovalentContact SG-SG 2.05Å; C1711-C1771 PolarHBondContact SG-SG 2.74Å; C1771-K1773 PolarHBondContact O-N 2.83Å; C1771-F1777 WeakPolarHBondContact O-CA 3.33Å; C1771-V1778 PolarHBondContact N-O 3.38Å; C1771-V1778 PolarHBondContact O-N 2.98Å; C1771-Y1780 HydrophobicContact CB-CD2 3.58Å; C1771-Y1780 HydrophobicContact CB-CE2 3.82Å |
| 1772 | L | 87.5 | Confident | 82.3 | Confident | 50 Ų | 50 | 32.6 Ų | 32.6 | 26% | 0.262 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120.5 | 177 | -172.7 | 66.3 | 0 | 0 | 0 | 110.8 | R1710 F1777 | R1710-L1772 HydrophobicContact CB-CB 4.5Å; R1710-L1772 PolarHBondContact O-N 3Å; L1772-F1777 HydrophobicContact CB-CD1 4.27Å; L1772-F1777 HydrophobicContact CB-CE1 3.92Å; L1772-F1777 HydrophobicContact CB-CZ 4.25Å; L1772-F1777 HydrophobicContact CD1-CD2 4.02Å; L1772-F1777 HydrophobicContact CD1-CE1 4.34Å; L1772-F1777 HydrophobicContact CD1-CE2 3.84Å; L1772-F1777 HydrophobicContact CD1-CG 4.38Å; L1772-F1777 HydrophobicContact CD1-CZ 4.02Å |
| 1773 | K | 80.2 | Confident | 83.7 | Confident | 73 Ų | 73 | 25.6 Ų | 25.6 | 32% | 0.317 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 130.6 | 174.6 | 179.5 | 177 | 173.7 | -179.7 | 0 | 110.1 | E1702 C1771 N1775 K1776 V1778 Y1780 | E1702-K1773 VanDerWaalsContact OE1-CD 3.22Å; E1702-K1773 WeakPolarHBondContact OE1-CD 3.44Å; E1702-K1773 WeakPolarHBondContact OE1-CE 3.28Å; E1702-K1773 IonicContact OE1-NZ 3.9Å; E1702-K1773 PolarHBondContact OE1-NZ 3.43Å; C1771-K1773 PolarHBondContact O-N 2.83Å; K1773-N1775 PolarHBondContact O-N 3.32Å; K1773-N1775 VanDerWaalsContact O-N 3.17Å; K1773-K1776 PolarHBondContact N-O 2.99Å; K1773-K1776 CarbonylContact O-C 3.33Å; K1773-K1776 PolarHBondContact O-N 2.98Å; K1773-V1778 HydrophobicContact CB-CG2 4.34Å; K1773-Y1780 WeakPolarHBondContact CD-OH 3.1Å |
| 1774 | D | 78.1 | Confident | 84.4 | Confident | 141 Ų | 141 | 25.3 Ų | 25.3 | 75% | 0.754 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 40.6 | 179 | -55.9 | -38.2 | 0 | 0 | 0 | 113.6 | K1776 | D1774-K1776 PolarHBondContact O-N 2.98Š|
| 1775 | N | 79.9 | Confident | 83.9 | Confident | 134 Ų | 134 | 25.5 Ų | 25.5 | 72% | 0.717 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 26 | -174.5 | -94.6 | 8.7 | 0 | 0 | 0 | 114.9 | K1773 | K1773-N1775 PolarHBondContact O-N 3.32Å; K1773-N1775 VanDerWaalsContact O-N 3.17Å |
| 1776 | K | 86.9 | Confident | 82.6 | Confident | 54 Ų | 54 | 27 Ų | 27 | 24% | 0.235 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.4 | 168.9 | -57.6 | -171.5 | -171.2 | -169.3 | 0 | 110.5 | V1553 G1555 K1556 D1608 K1773 D1774 | V1553-K1776 HydrophobicContact CG1-CD 3.87Å; G1555-K1776 CarbonylContact O-C 3.57Å; K1556-K1776 HydrophobicContact CG-CG 4.18Å; D1608-K1776 IonicContact OD1-NZ 2.77Å; D1608-K1776 PolarHBondContact OD1-NZ 3.3Å; D1608-K1776 IonicContact OD2-NZ 3.5Å; K1773-K1776 PolarHBondContact N-O 2.99Å; K1773-K1776 CarbonylContact O-C 3.33Å; K1773-K1776 PolarHBondContact O-N 2.98Å; D1774-K1776 PolarHBondContact O-N 2.98Å |
| 1777 | F | 90.5 | Very high | 81.1 | Confident | 13 Ų | 13 | 29.1 Ų | 29.1 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 127.9 | 170.3 | -75.4 | -84.6 | 0 | 0 | 0 | 110.7 | G1555 P1557 P1561 W1584 I1695 C1696 F1712 A1770 C1771 L1772 | G1555-F1777 WeakPolarHBondContact CA-O 3.49Å; G1555-F1777 PolarHBondContact O-N 3.14Å; P1557-F1777 HydrophobicContact CG-CD2 4.18Å; P1557-F1777 HydrophobicContact CG-CE2 4.08Å; P1561-F1777 HydrophobicContact CG-CE2 4.39Å; P1561-F1777 HydrophobicContact CG-CZ 4.01Å; W1584-F1777 HydrophobicContact CH2-CB 3.57Å; W1584-F1777 AromaticContact CH2-CD2 3.62Å; W1584-F1777 HydrophobicContact CH2-CD2 3.62Å; W1584-F1777 HydrophobicContact CH2-CE2 4.46Å; W1584-F1777 AromaticContact CH2-CG 3.69Å; W1584-F1777 HydrophobicContact CH2-CG 3.69Å; W1584-F1777 HydrophobicContact CZ2-CB 3.83Å; W1584-F1777 HydrophobicContact CZ2-CD1 4.44Å; W1584-F1777 HydrophobicContact CZ2-CD2 4.2Å; W1584-F1777 AromaticContact CZ2-CG 3.91Å; W1584-F1777 HydrophobicContact CZ2-CG 3.91Å; W1584-F1777 HydrophobicContact CZ3-CB 4.3Å; I1695-F1777 HydrophobicContact CD1-CB 4.28Å; I1695-F1777 HydrophobicContact CG1-CB 4.33Å; I1695-F1777 VanDerWaalsContact CG1-O 3.3Å; I1695-F1777 WeakPolarHBondContact CG1-O 3.37Å; C1696-F1777 WeakPolarHBondContact CB-O 3.46Å; C1696-F1777 PolarHBondContact N-O 2.93Å; F1712-F1777 AromaticContact CD2-CE1 3.88Å; F1712-F1777 HydrophobicContact CD2-CE1 3.88Å; F1712-F1777 HydrophobicContact CD2-CZ 4.49Å; F1712-F1777 HydrophobicContact CE2-CE1 4.13Å; F1712-F1777 HydrophobicContact CE2-CZ 4.4Å; A1770-F1777 HydrophobicContact CB-CD1 4.16Å; C1771-F1777 WeakPolarHBondContact O-CA 3.33Å; L1772-F1777 HydrophobicContact CB-CD1 4.27Å; L1772-F1777 HydrophobicContact CB-CE1 3.92Å; L1772-F1777 HydrophobicContact CB-CZ 4.25Å; L1772-F1777 HydrophobicContact CD1-CD2 4.02Å; L1772-F1777 HydrophobicContact CD1-CE1 4.34Å; L1772-F1777 HydrophobicContact CD1-CE2 3.84Å; L1772-F1777 HydrophobicContact CD1-CG 4.38Å; L1772-F1777 HydrophobicContact CD1-CZ 4.02Å |
| 1778 | V | 88.9 | Confident | 78.8 | Confident | 12 Ų | 12 | 32.6 Ų | 32.6 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.5 | -179.6 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | C1696 P1698 C1771 K1773 Y1780 | C1696-V1778 HydrophobicContact CB-CG2 4.14Å; C1696-V1778 WeakPolarHBondContact O-CA 3.04Å; P1698-V1778 HydrophobicContact CB-CG1 3.76Å; P1698-V1778 HydrophobicContact CG-CG1 4.29Å; C1771-V1778 PolarHBondContact N-O 3.38Å; C1771-V1778 PolarHBondContact O-N 2.98Å; K1773-V1778 HydrophobicContact CB-CG2 4.34Å; V1778-Y1780 HydrophobicContact CB-CD2 4.2Å; V1778-Y1780 HydrophobicContact CB-CE2 3.79Å; V1778-Y1780 HydrophobicContact CG1-CD2 4.21Å; V1778-Y1780 HydrophobicContact CG1-CE2 3.9Å; V1778-Y1780 PolarHBondContact O-N 3.49Å |
| 1779 | L | 90.2 | Very high | 76.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 97.1 | 179.1 | -175.8 | 67.2 | 0 | 0 | 0 | 110.6 | I1604 L1616 I1695 C1696 L1697 P1698 P1768 G1781 A1804 | I1604-L1779 HydrophobicContact CG2-CD2 3.93Å; L1616-L1779 HydrophobicContact CD1-CD2 3.87Å; I1695-L1779 HydrophobicContact CD1-CB 3.98Å; I1695-L1779 HydrophobicContact CD1-CD1 4.41Å; I1695-L1779 HydrophobicContact CG1-CB 4.23Å; I1695-L1779 HydrophobicContact CG2-CB 3.78Å; I1695-L1779 HydrophobicContact CG2-CD2 4.14Å; I1695-L1779 HydrophobicContact CG2-CG 4.39Å; C1696-L1779 PolarHBondContact O-N 3.3Å; L1697-L1779 HydrophobicContact CD2-CD2 4.27Å; P1698-L1779 WeakPolarHBondContact CD-O 3.45Å; P1768-L1779 HydrophobicContact CB-CD1 3.56Å; L1779-G1781 VanDerWaalsContact CD1-O 3.3Å; L1779-G1781 WeakPolarHBondContact CD1-O 3.46Å; L1779-A1804 HydrophobicContact CD2-CB 4.42Å; L1779-A1804 HydrophobicContact CG-CB 4.39Å |
| 1780 | Y | 83.5 | Confident | 74 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -24.5 | 179.9 | -81.6 | -86 | 0 | 0 | 0 | 113.3 | P1698 E1702 A1705 L1751 L1769 C1771 K1773 V1778 A1804 | P1698-Y1780 HydrophobicContact CB-CE1 4.35Å; E1702-Y1780 PolarHBondContact OE1-OH 2.87Å; A1705-Y1780 HydrophobicContact CB-CE2 4.12Å; L1751-Y1780 WeakPolarHBondContact CD1-O 3.49Å; L1769-Y1780 PolarHBondContact O-N 3.02Å; C1771-Y1780 HydrophobicContact CB-CD2 3.58Å; C1771-Y1780 HydrophobicContact CB-CE2 3.82Å; K1773-Y1780 WeakPolarHBondContact CD-OH 3.1Å; V1778-Y1780 HydrophobicContact CB-CD2 4.2Å; V1778-Y1780 HydrophobicContact CB-CE2 3.79Å; V1778-Y1780 HydrophobicContact CG1-CD2 4.21Å; V1778-Y1780 HydrophobicContact CG1-CE2 3.9Å; V1778-Y1780 PolarHBondContact O-N 3.49Å; Y1780-A1804 PolarHBondContact O-N 3.49Å |
| 1781 | G | 82 | Confident | 71.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 166.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1769 L1779 T1802 | L1769-G1781 WeakPolarHBondContact CB-O 2.89Å; L1769-G1781 PolarHBondContact N-O 2.92Å; L1779-G1781 VanDerWaalsContact CD1-O 3.3Å; L1779-G1781 WeakPolarHBondContact CD1-O 3.46Å; G1781-T1802 CarbonylContact C-O 3.55Å; G1781-T1802 WeakPolarHBondContact CA-O 3.49Å |
| 1782 | I | 83.9 | Confident | 68.8 | Low | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.6 | 175.9 | -60.1 | 168 | 0 | 0 | 0 | 107.6 | L1616 I1677 G1767 S1784 F1801 T1802 | L1616-I1782 HydrophobicContact CB-CD1 3.91Å; L1616-I1782 HydrophobicContact CD1-CD1 4.2Å; L1616-I1782 HydrophobicContact CD2-CD1 4.19Å; L1616-I1782 HydrophobicContact CG-CD1 4.34Å; I1677-I1782 HydrophobicContact CB-CD1 4.35Å; I1677-I1782 HydrophobicContact CD1-CD1 3.5Å; I1677-I1782 VanDerWaalsContact CD1-CD1 3.5Å; I1677-I1782 HydrophobicContact CG1-CD1 3.52Å; G1767-I1782 WeakPolarHBondContact O-CA 3.23Å; I1782-S1784 PolarHBondContact O-N 3.28Å; I1782-F1801 CarbonylContact O-C 3.48Å; I1782-F1801 WeakPolarHBondContact O-CA 3.31Å; I1782-T1802 PolarHBondContact N-O 3.32Å; I1782-T1802 PolarHBondContact O-N 3.46Å |
| 1783 | I | 84.8 | Confident | 66.5 | Low | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 121 | 179.8 | -61.1 | 163.4 | 0 | 0 | 0 | 109.3 | V1713 D1764 G1766 G1767 F1801 | V1713-I1783 HydrophobicContact CG1-CD1 3.4Å; V1713-I1783 HydrophobicContact CG1-CG1 4.01Å; D1764-I1783 HydrophobicContact CB-CD1 4.18Å; D1764-I1783 VanDerWaalsContact O-CD1 3.32Å; D1764-I1783 WeakPolarHBondContact O-CD1 3.24Å; G1766-I1783 PolarHBondContact N-O 2.81Å; G1767-I1783 WeakPolarHBondContact O-CG1 3.26Å; G1767-I1783 PolarHBondContact O-N 2.84Å; I1783-F1801 HydrophobicContact CG1-CD1 3.89Å; I1783-F1801 HydrophobicContact CG1-CE1 3.7Å |
| 1784 | S | 72.3 | Confident | 64.4 | Low | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -70.9 | -176.3 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | H1620 D1676 I1782 V1800 | H1620-S1784 PolarHBondContact CE1-O 2.77Å; D1676-S1784 WeakPolarHBondContact CB-OG 3.2Å; D1676-S1784 WeakPolarHBondContact OD2-CB 3.4Å; D1676-S1784 PolarHBondContact OD2-OG 2.96Å; I1782-S1784 PolarHBondContact O-N 3.28Å; S1784-V1800 PolarHBondContact N-O 2.88Å; S1784-V1800 VanDerWaalsContact N-O 3.11Å |
| 1785 | F | 65 | Low | 62.3 | Low | 26 Ų | 26 | 58.4 Ų | 58.4 | 11% | 0.114 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 172.9 | -178.7 | 57.9 | -92.8 | 0 | 0 | 0 | 112.5 | E1673 Y1745 M1750 V1787 V1800 | E1673-F1785 HydrophobicContact CB-CD1 4.28Å; E1673-F1785 HydrophobicContact CB-CE1 3.85Å; E1673-F1785 WeakPolarHBondContact OE2-CD1 3.45Å; E1673-F1785 WeakPolarHBondContact OE2-CE1 3.46Å; E1673-F1785 WeakPolarHBondContact OE2-CG 3.08Å; E1673-F1785 WeakPolarHBondContact OE2-CZ 3.35Å; Y1745-F1785 HydrophobicContact CD1-CZ 4.41Å; Y1745-F1785 HydrophobicContact CE1-CE1 4.34Å; Y1745-F1785 AromaticContact CE1-CZ 3.66Å; Y1745-F1785 HydrophobicContact CE1-CZ 3.66Å; M1750-F1785 HydrophobicContact CE-CE1 4.43Å; F1785-V1787 HydrophobicContact CD2-CB 4.36Å; F1785-V1787 HydrophobicContact CD2-CG1 3.63Å; F1785-V1787 HydrophobicContact CD2-CG2 4.15Å; F1785-V1787 HydrophobicContact CE2-CB 4.19Å; F1785-V1787 HydrophobicContact CE2-CG1 3.47Å; F1785-V1787 VanDerWaalsContact CE2-CG1 3.47Å; F1785-V1787 HydrophobicContact CE2-CG2 3.72Å; F1785-V1800 HydrophobicContact CD2-CB 4.2Å; F1785-V1800 HydrophobicContact CD2-CG2 4.17Å; F1785-V1800 HydrophobicContact CE1-CB 4.45Å; F1785-V1800 HydrophobicContact CE1-CG1 4.19Å; F1785-V1800 HydrophobicContact CE2-CB 3.92Å; F1785-V1800 HydrophobicContact CE2-CG1 4.21Å; F1785-V1800 HydrophobicContact CE2-CG2 3.73Å; F1785-V1800 HydrophobicContact CZ-CB 4.05Å; F1785-V1800 HydrophobicContact CZ-CG1 3.84Å; F1785-V1800 HydrophobicContact CZ-CG2 4.21Å; F1785-V1800 WeakPolarHBondContact O-CB 3.32Å; F1785-V1800 PolarHBondContact O-N 3.26Å |
| 1786 | S | 52.8 | Low | 60.5 | Low | 55 Ų | 55 | 53.4 Ų | 53.4 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.4 | 170.1 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | S1760 | S1760-S1786 PolarHBondContact OG-OG 2.77Å |
| 1787 | V | 50.4 | Low | 58.5 | Low | 43 Ų | 43 | 56 Ų | 56 | 26% | 0.261 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.2 | 175.7 | -87.1 | 0 | 0 | 0 | 0 | 111.6 | F1785 V1789 F1798 V1800 | F1785-V1787 HydrophobicContact CD2-CB 4.36Å; F1785-V1787 HydrophobicContact CD2-CG1 3.63Å; F1785-V1787 HydrophobicContact CD2-CG2 4.15Å; F1785-V1787 HydrophobicContact CE2-CB 4.19Å; F1785-V1787 HydrophobicContact CE2-CG1 3.47Å; F1785-V1787 VanDerWaalsContact CE2-CG1 3.47Å; F1785-V1787 HydrophobicContact CE2-CG2 3.72Å; V1787-V1789 HydrophobicContact CB-CG2 4.17Å; V1787-V1789 HydrophobicContact CG2-CG2 3.63Å; V1787-V1789 PolarHBondContact O-N 2.84Å; V1787-F1798 PolarHBondContact N-O 3.11Å; V1787-F1798 PolarHBondContact O-N 2.73Å; V1787-V1800 HydrophobicContact CG2-CG2 3.57Å |
| 1788 | D | 41.3 | Very low | 56.4 | Low | 73 Ų | 73 | 56.1 Ų | 56.1 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 105.9 | 161.9 | -116.6 | -1.8 | 0 | 0 | 0 | 107.6 | K1795 | D1788-K1795 IonicContact OD2-NZ 2.69Å; D1788-K1795 PolarHBondContact OD2-NZ 2.86Å |
| 1789 | V | 42.4 | Very low | 54.7 | Low | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.5 | 176.7 | -165.8 | 0 | 0 | 0 | 0 | 109.9 | V1740 Y1742 V1787 C1791 E1796 F1798 | V1740-V1789 HydrophobicContact CG1-CB 4.4Å; V1740-V1789 HydrophobicContact CG1-CG1 3.66Å; V1740-V1789 HydrophobicContact CG1-CG2 4.15Å; Y1742-V1789 HydrophobicContact CD2-CG1 3.83Å; V1787-V1789 HydrophobicContact CB-CG2 4.17Å; V1787-V1789 HydrophobicContact CG2-CG2 3.63Å; V1787-V1789 PolarHBondContact O-N 2.84Å; V1789-C1791 VanDerWaalsContact C-N 3.27Å; V1789-C1791 PolarHBondContact O-N 3.02Å; V1789-E1796 PolarHBondContact N-O 3.11Å; V1789-F1798 HydrophobicContact CB-CD2 3.81Å; V1789-F1798 HydrophobicContact CB-CE2 4.1Å; V1789-F1798 HydrophobicContact CG2-CD2 3.92Å |
| 1790 | F | 35 | Very low | 53.2 | Low | 136 Ų | 136 | 55.9 Ų | 55.9 | 60% | 0.596 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 80.7 | 167.1 | -74.3 | -87.9 | 0 | 0 | 0 | 110.2 | K1795 | F1790-K1795 HydrophobicContact CD1-CG 4.36Å; F1790-K1795 HydrophobicContact CE1-CG 3.86Å; F1790-K1795 HydrophobicContact CZ-CD 4.48Å; F1790-K1795 HydrophobicContact CZ-CG 4.09Å |
| 1791 | C | 32.6 | Very low | 52.2 | Low | 35 Ų | 35 | 55.8 Ų | 55.8 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 98.7 | 168 | -82.3 | 0 | 0 | 0 | 0 | 108.7 | V1789 F1798 | V1789-C1791 VanDerWaalsContact C-N 3.27Å; V1789-C1791 PolarHBondContact O-N 3.02Å; C1791-F1798 HydrophobicContact CB-CE2 4.25Å; C1791-F1798 HydrophobicContact CB-CZ 4.23Å |
| 1792 | L | 36.4 | Very low | 51.4 | Low | 157 Ų | 157 | 56 Ų | 56 | 82% | 0.822 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 83.3 | 165.6 | -63.3 | 166.1 | 0 | 0 | 0 | 114 | E1794 | L1792-E1794 PolarHBondContact O-N 2.81Š|
| 1793 | H | 39.4 | Very low | 50.3 | Low | 199 Ų | 199 | 59 Ų | 59 | 92% | 0.921 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | -4.9 | 165.5 | -78 | -74.7 | 0 | 0 | 0 | 120.5 | ||
| 1794 | E | 35.2 | Very low | 48.8 | Very low | 138 Ų | 138 | 59 Ų | 59 | 65% | 0.645 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 136.8 | 166.4 | -67.6 | -176.2 | 174.1 | 0 | 0 | 110.3 | L1792 E1796 | L1792-E1794 PolarHBondContact O-N 2.81Å; E1794-E1796 PolarHBondContact O-N 2.96Å |
| 1795 | K | 34.2 | Very low | 48 | Very low | 138 Ų | 138 | 62.1 Ų | 62.1 | 60% | 0.6 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 111.2 | 170.3 | -92.9 | -170.2 | 167 | -150.5 | 0 | 107.2 | D1788 F1790 | D1788-K1795 IonicContact OD2-NZ 2.69Å; D1788-K1795 PolarHBondContact OD2-NZ 2.86Å; F1790-K1795 HydrophobicContact CD1-CG 4.36Å; F1790-K1795 HydrophobicContact CE1-CG 3.86Å; F1790-K1795 HydrophobicContact CZ-CD 4.48Å; F1790-K1795 HydrophobicContact CZ-CG 4.09Å |
| 1796 | E | 42.7 | Very low | 47 | Very low | 29 Ų | 29 | 63.4 Ų | 63.4 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.3 | 172.4 | -64.5 | -162.1 | 151.4 | 0 | 0 | 110 | R1754 N1756 V1789 E1794 F1798 | R1754-E1796 IonicContact CZ-OE1 3.96Å; R1754-E1796 IonicContact CZ-OE2 2.84Å; R1754-E1796 VanDerWaalsContact CZ-OE2 3.31Å; R1754-E1796 IonicContact NE-OE1 3.87Å; R1754-E1796 IonicContact NE-OE2 3.36Å; R1754-E1796 PolarHBondContact NE-OE2 2.59Å; R1754-E1796 VanDerWaalsContact NH2-CD 3.29Å; R1754-E1796 IonicContact NH2-OE1 3.27Å; R1754-E1796 PolarHBondContact NH2-OE1 3.16Å; R1754-E1796 IonicContact NH2-OE2 3.53Å; R1754-E1796 PolarHBondContact NH2-OE2 3.4Å; R1754-E1796 VanDerWaalsContact NH2-OE2 3.07Å; N1756-E1796 PolarHBondContact ND2-OE1 2.82Å; V1789-E1796 PolarHBondContact N-O 3.11Å; E1794-E1796 PolarHBondContact O-N 2.96Å; E1796-F1798 HydrophobicContact CB-CE2 3.89Å; E1796-F1798 HydrophobicContact CB-CZ 4.22Å; E1796-F1798 VanDerWaalsContact O-CD2 3.25Å; E1796-F1798 WeakPolarHBondContact O-CD2 3.32Å; E1796-F1798 WeakPolarHBondContact O-CE2 3.44Å |
| 1797 | E | 44.7 | Very low | 46.4 | Very low | 107 Ų | 107 | 63 Ų | 63 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 136.4 | 174.6 | -65.1 | -179.1 | 166.4 | 0 | 0 | 110.1 | M1755 | M1755-E1797 HydrophobicContact CB-CB 4.09Å; M1755-E1797 VanDerWaalsContact CB-O 3.29Å; M1755-E1797 WeakPolarHBondContact CB-O 3.38Å; M1755-E1797 HydrophobicContact CG-CB 4.23Å; M1755-E1797 WeakPolarHBondContact CG-O 3.23Å; M1755-E1797 PolarHBondContact N-O 3.12Å; M1755-E1797 HydrophobicContact SD-CB 3.48Å; M1755-E1797 WeakPolarHBondContact SD-CB 2.99Å |
| 1798 | F | 46.8 | Very low | 46.1 | Very low | 16 Ų | 16 | 67.1 Ų | 67.1 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 139.4 | 176.2 | -63.9 | -96.8 | 0 | 0 | 0 | 110.6 | C1752 H1753 R1754 V1787 V1789 C1791 E1796 | C1752-F1798 HydrophobicContact CB-CB 4.48Å; C1752-F1798 HydrophobicContact CB-CD1 4.42Å; H1753-F1798 VanDerWaalsContact O-CA 3.28Å; H1753-F1798 WeakPolarHBondContact O-CA 3.32Å; H1753-F1798 WeakPolarHBondContact O-CB 2.75Å; H1753-F1798 VanDerWaalsContact O-CD1 3.31Å; H1753-F1798 WeakPolarHBondContact O-CD1 3.13Å; R1754-F1798 HydrophobicContact CG-CD1 4.23Å; R1754-F1798 HydrophobicContact CG-CE1 3.6Å; R1754-F1798 HydrophobicContact CG-CZ 4.3Å; V1787-F1798 PolarHBondContact N-O 3.11Å; V1787-F1798 PolarHBondContact O-N 2.73Å; V1789-F1798 HydrophobicContact CB-CD2 3.81Å; V1789-F1798 HydrophobicContact CB-CE2 4.1Å; V1789-F1798 HydrophobicContact CG2-CD2 3.92Å; C1791-F1798 HydrophobicContact CB-CE2 4.25Å; C1791-F1798 HydrophobicContact CB-CZ 4.23Å; E1796-F1798 HydrophobicContact CB-CE2 3.89Å; E1796-F1798 HydrophobicContact CB-CZ 4.22Å; E1796-F1798 VanDerWaalsContact O-CD2 3.25Å; E1796-F1798 WeakPolarHBondContact O-CD2 3.32Å; E1796-F1798 WeakPolarHBondContact O-CE2 3.44Å |
| 1799 | G | 53.9 | Low | 46.3 | Very low | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 130.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | C1752 H1753 | C1752-G1799 WeakPolarHBondContact CA-O 3.48Å; H1753-G1799 PolarHBondContact N-O 3.44Å; H1753-G1799 PolarHBondContact O-N 2.84Å |
| 1800 | V | 57.8 | Low | 46.6 | Very low | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.9 | -177.8 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | M1750 L1751 S1784 F1785 V1787 | M1750-V1800 HydrophobicContact CB-CG1 4.11Å; M1750-V1800 HydrophobicContact CG-CG1 4.24Å; M1750-V1800 HydrophobicContact SD-CG1 4.05Å; L1751-V1800 WeakPolarHBondContact O-CA 3.39Å; S1784-V1800 PolarHBondContact N-O 2.88Å; S1784-V1800 VanDerWaalsContact N-O 3.11Å; F1785-V1800 HydrophobicContact CD2-CB 4.2Å; F1785-V1800 HydrophobicContact CD2-CG2 4.17Å; F1785-V1800 HydrophobicContact CE1-CB 4.45Å; F1785-V1800 HydrophobicContact CE1-CG1 4.19Å; F1785-V1800 HydrophobicContact CE2-CB 3.92Å; F1785-V1800 HydrophobicContact CE2-CG1 4.21Å; F1785-V1800 HydrophobicContact CE2-CG2 3.73Å; F1785-V1800 HydrophobicContact CZ-CB 4.05Å; F1785-V1800 HydrophobicContact CZ-CG1 3.84Å; F1785-V1800 HydrophobicContact CZ-CG2 4.21Å; F1785-V1800 WeakPolarHBondContact O-CB 3.32Å; F1785-V1800 PolarHBondContact O-N 3.26Å; V1787-V1800 HydrophobicContact CG2-CG2 3.57Å |
| 1801 | F | 62.6 | Low | 47.2 | Very low | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.6 | 177.5 | -46.5 | -97 | 0 | 0 | 0 | 111.8 | V1713 M1750 L1751 H1753 L1769 I1782 I1783 | V1713-F1801 HydrophobicContact CG1-CE1 4.36Å; V1713-F1801 HydrophobicContact CG2-CE1 3.91Å; V1713-F1801 HydrophobicContact CG2-CZ 3.83Å; M1750-F1801 CarbonylContact C-O 3.57Å; M1750-F1801 WeakPolarHBondContact CA-O 3.23Å; L1751-F1801 HydrophobicContact CB-CB 4.24Å; L1751-F1801 HydrophobicContact CB-CD2 4.36Å; L1751-F1801 PolarHBondContact N-O 3.2Å; L1751-F1801 PolarHBondContact O-N 3.1Å; H1753-F1801 HydrophobicContact CB-CE2 4.43Å; L1769-F1801 HydrophobicContact CB-CD1 3.77Å; L1769-F1801 HydrophobicContact CB-CE1 3.96Å; L1769-F1801 HydrophobicContact CB-CG 4.34Å; L1769-F1801 HydrophobicContact CD1-CE1 4.15Å; L1769-F1801 HydrophobicContact CD1-CZ 4.12Å; L1769-F1801 HydrophobicContact CD2-CB 4.31Å; L1769-F1801 HydrophobicContact CD2-CD1 4.12Å; L1769-F1801 HydrophobicContact CD2-CD2 3.97Å; L1769-F1801 HydrophobicContact CD2-CE1 4.42Å; L1769-F1801 HydrophobicContact CD2-CE2 4.31Å; L1769-F1801 HydrophobicContact CD2-CG 3.88Å; L1769-F1801 HydrophobicContact CG-CD1 4.38Å; L1769-F1801 HydrophobicContact CG-CE1 4.4Å; I1782-F1801 CarbonylContact O-C 3.48Å; I1782-F1801 WeakPolarHBondContact O-CA 3.31Å; I1783-F1801 HydrophobicContact CG1-CD1 3.89Å; I1783-F1801 HydrophobicContact CG1-CE1 3.7Å |
| 1802 | T | 65 | Low | 48.1 | Very low | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.9 | 170.7 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | D1676 I1677 G1781 I1782 A1804 | D1676-T1802 WeakPolarHBondContact O-CB 3.13Å; D1676-T1802 PolarHBondContact O-OG1 2.68Å; I1677-T1802 HydrophobicContact CB-CG2 4.11Å; I1677-T1802 HydrophobicContact CG2-CG2 4.45Å; G1781-T1802 CarbonylContact C-O 3.55Å; G1781-T1802 WeakPolarHBondContact CA-O 3.49Å; I1782-T1802 PolarHBondContact N-O 3.32Å; I1782-T1802 PolarHBondContact O-N 3.46Å; T1802-A1804 PolarHBondContact O-N 3.34Å |
| 1803 | K | 60.2 | Low | 48.7 | Very low | 65 Ų | 65 | 64.2 Ų | 64.2 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 123.8 | -178.7 | -170.6 | -177.1 | 179.9 | 176 | 0 | 111.3 | K1749 V1805 | K1749-K1803 VanDerWaalsContact O-CB 3.24Å; K1749-K1803 WeakPolarHBondContact O-CB 3.26Å; K1749-K1803 PolarHBondContact O-N 3.01Å; K1803-V1805 HydrophobicContact CD-CG2 3.84Å; K1803-V1805 HydrophobicContact CG-CG2 3.83Å; K1803-V1805 PolarHBondContact O-N 3.16Å |
| 1804 | A | 54.5 | Low | 49.2 | Very low | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | trans | -82.8 | 105.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P1698 L1779 Y1780 T1802 | P1698-A1804 WeakPolarHBondContact CG-O 3.43Å; L1779-A1804 HydrophobicContact CD2-CB 4.42Å; L1779-A1804 HydrophobicContact CG-CB 4.39Å; Y1780-A1804 PolarHBondContact O-N 3.49Å; T1802-A1804 PolarHBondContact O-N 3.34Å | ||
| 1805 | V | 54.6 | Low | 49.8 | Very low | 67 Ų | 67 | 55.6 Ų | 55.6 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | trans | -134.4 | 121.3 | 170.4 | -162.4 | 0 | 0 | 0 | 0 | 108.9 | I1700 K1803 | I1700-V1805 HydrophobicContact CB-CG1 4.38Å; I1700-V1805 HydrophobicContact CG1-CG1 4.15Å; K1803-V1805 HydrophobicContact CD-CG2 3.84Å; K1803-V1805 HydrophobicContact CG-CG2 3.83Å; K1803-V1805 PolarHBondContact O-N 3.16Å | ||
| 1806 | C | 44 | Very low | 50.4 | Low | 52 Ų | 52 | 53 Ų | 53 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | trans | -105.3 | 155.2 | 179.2 | 68.4 | 0 | 0 | 0 | 0 | 112.1 | L1697 | L1697-C1806 HydrophobicContact CD1-CB 4.47Š| ||
| 1807 | G | 41.4 | Very low | 50.5 | Low | 46 Ų | 46 | 59.3 Ų | 59.3 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | trans | 126.8 | 6.7 | 172 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1808 | K | 43.7 | Very low | 50.4 | Low | 131 Ų | 131 | 55.8 Ų | 55.8 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -104.1 | 147.5 | 168.7 | -91.5 | -171.9 | 160.5 | -137 | 0 | 110.9 | D1812 | K1808-D1812 VanDerWaalsContact NZ-CG 3.32Å; K1808-D1812 IonicContact NZ-OD1 3.82Å; K1808-D1812 PolarHBondContact NZ-OD1 3.33Å; K1808-D1812 IonicContact NZ-OD2 2.68Å; K1808-D1812 PolarHBondContact NZ-OD2 2.9Å |
| 1809 | P | 46 | Very low | 50.2 | Low | 29 Ų | 29 | 67 Ų | 67 | 19% | 0.188 | 35% | 0.354 | C | S | . | . | trans | -54.6 | 146.5 | 167.9 | 23.5 | -31.5 | 0 | 0 | 0 | 110.6 | F1811 F2018 | P1809-F1811 VanDerWaalsContact C-N 3.27Å; P1809-F1811 PolarHBondContact O-N 3.23Å; P1809-F2018 HydrophobicContact CG-CD2 4.45Å; P1809-F2018 HydrophobicContact CG-CE2 3.94Å | ||
| 1810 | Y | 47.7 | Very low | 49.7 | Very low | 98 Ų | 98 | 74.7 Ų | 74.7 | 38% | 0.384 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -57.2 | -35.5 | -169.4 | -175.8 | -112.7 | 0 | 0 | 0 | 113.9 | I1664 P1665 | I1664-Y1810 HydrophobicContact CB-CE2 4.4Å; I1664-Y1810 HydrophobicContact CG2-CD2 3.58Å; I1664-Y1810 HydrophobicContact CG2-CE2 3.13Å; P1665-Y1810 WeakPolarHBondContact CD-OH 3.38Å; P1665-Y1810 VanDerWaalsContact CG-OH 3.27Å; P1665-Y1810 WeakPolarHBondContact CG-OH 3.49Å; P1665-Y1810 WeakPolarHBondContact O-CE2 3.49Å; P1665-Y1810 PolarHBondContact O-OH 3.12Å |
| 1811 | F | 48.2 | Very low | 48.9 | Very low | 76 Ų | 76 | 76.9 Ų | 76.9 | 33% | 0.333 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -115.6 | 125.9 | 164 | -61.3 | -76.6 | 0 | 0 | 0 | 107.6 | P1809 V1830 P1831 H1832 | P1809-F1811 VanDerWaalsContact C-N 3.27Å; P1809-F1811 PolarHBondContact O-N 3.23Å; F1811-V1830 HydrophobicContact CB-CB 4.37Å; F1811-V1830 HydrophobicContact CB-CG1 3.88Å; F1811-V1830 HydrophobicContact CD1-CG1 3.98Å; F1811-V1830 HydrophobicContact CD2-CG1 3.89Å; F1811-V1830 HydrophobicContact CE2-CG1 4.41Å; F1811-V1830 HydrophobicContact CG-CG1 3.64Å; F1811-P1831 WeakPolarHBondContact CD2-O 3.35Å; F1811-P1831 VanDerWaalsContact CE2-O 3.25Å; F1811-P1831 WeakPolarHBondContact CE2-O 3.38Å; F1811-H1832 HydrophobicContact CD2-CB 4.44Å; F1811-H1832 HydrophobicContact CE2-CB 4.38Å |
| 1812 | D | 50.8 | Low | 48.2 | Very low | 83 Ų | 83 | 83.3 Ų | 83.3 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | trans | -55.1 | 133.5 | 162.7 | -91.9 | -29.4 | 0 | 0 | 0 | 105.9 | K1808 V1814 | K1808-D1812 VanDerWaalsContact NZ-CG 3.32Å; K1808-D1812 IonicContact NZ-OD1 3.82Å; K1808-D1812 PolarHBondContact NZ-OD1 3.33Å; K1808-D1812 IonicContact NZ-OD2 2.68Å; K1808-D1812 PolarHBondContact NZ-OD2 2.9Å; D1812-V1814 HydrophobicContact CB-CG2 4.11Å; D1812-V1814 PolarHBondContact O-N 3.44Å | ||
| 1813 | P | 49.3 | Very low | 47.5 | Very low | 57 Ų | 57 | 86.6 Ų | 86.6 | 37% | 0.37 | 45% | 0.447 | S | S | . | . | trans | -66.5 | 83.6 | 175.3 | 25.4 | -31.6 | 0 | 0 | 0 | 108.5 | F2018 | P1813-F2018 HydrophobicContact CG-CZ 4.06Š| ||
| 1814 | V | 49.6 | Very low | 47.2 | Very low | 95 Ų | 95 | 86.4 Ų | 86.4 | 58% | 0.576 | 45% | 0.45 | S | S | * | . | trans | -91.9 | 126.9 | 172.4 | -169.8 | 0 | 0 | 0 | 0 | 106.6 | D1812 V1816 | D1812-V1814 HydrophobicContact CB-CG2 4.11Å; D1812-V1814 PolarHBondContact O-N 3.44Å; V1814-V1816 PolarHBondContact O-N 3.27Å; V1814-V1816 VanDerWaalsContact O-N 3.14Å | ||
| 1815 | P | 47.9 | Very low | 46.9 | Very low | 62 Ų | 62 | 92.3 Ų | 92.3 | 40% | 0.403 | 48% | 0.478 | S | S | . | . | trans | -61.6 | 117.3 | 178.6 | 21.8 | -30.3 | 0 | 0 | 0 | 110.3 | H1817 F1827 | P1815-H1817 PolarHBondContact O-N 3.12Å; P1815-F1827 HydrophobicContact CB-CB 4.19Å; P1815-F1827 HydrophobicContact CB-CD1 3.79Å; P1815-F1827 HydrophobicContact CB-CD2 3.65Å; P1815-F1827 HydrophobicContact CB-CE1 4.06Å; P1815-F1827 HydrophobicContact CB-CE2 3.93Å; P1815-F1827 HydrophobicContact CB-CG 3.58Å; P1815-F1827 HydrophobicContact CB-CZ 4.13Å | ||
| 1816 | V | 46.5 | Very low | 47 | Very low | 83 Ų | 83 | 89.8 Ų | 89.8 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | B | Isolated β-bridge | trans | -81.9 | 114.1 | 167.1 | -174 | 0 | 0 | 0 | 0 | 106.6 | V1814 G1818 V1830 | V1814-V1816 PolarHBondContact O-N 3.27Å; V1814-V1816 VanDerWaalsContact O-N 3.14Å; V1816-G1818 PolarHBondContact O-N 3.11Å; V1816-V1830 HydrophobicContact CG2-CG2 3.69Å |
| 1817 | H | 44.5 | Very low | 47.9 | Very low | 162 Ų | 162 | 92.1 Ų | 92.1 | 75% | 0.75 | 47% | 0.469 | S | S | * | . | trans | -72.1 | 74.4 | 178.5 | -74.4 | -57.3 | 0 | 0 | 0 | 111.1 | P1815 F1827 | P1815-H1817 PolarHBondContact O-N 3.12Å; H1817-F1827 AromaticContact CE1-CE1 3.85Å; H1817-F1827 AromaticContact ND1-CE1 3.72Å | ||
| 1818 | G | 42.7 | Very low | 48.8 | Very low | 32 Ų | 32 | 95.3 Ų | 95.3 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | trans | -92 | 139.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1816 N1820 N1821 | V1816-G1818 PolarHBondContact O-N 3.11Å; G1818-N1820 VanDerWaalsContact C-N 3.3Å; G1818-N1820 PolarHBondContact O-N 2.95Å; G1818-N1821 PolarHBondContact O-ND2 2.84Å; G1818-N1821 VanDerWaalsContact O-ND2 3.11Å; G1818-N1821 PolarHBondContact O-OD1 3.26Å | ||
| 1819 | R | 44.4 | Very low | 49.6 | Very low | 253 Ų | 253 | 91.3 Ų | 91.3 | 96% | 0.955 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -80.3 | 7.8 | -174.2 | -75.8 | -174.5 | 179.3 | 179.8 | 0.1 | 115.6 | ||
| 1820 | N | 43.1 | Very low | 50.5 | Low | 161 Ų | 161 | 91.3 Ų | 91.3 | 86% | 0.861 | 46% | 0.463 | S | S | * | . | trans | -134.8 | 71.1 | -177.1 | -89.9 | -16.8 | 0 | 0 | 0 | 111.2 | G1818 | G1818-N1820 VanDerWaalsContact C-N 3.3Å; G1818-N1820 PolarHBondContact O-N 2.95Å | ||
| 1821 | N | 41.2 | Very low | 51 | Low | 53 Ų | 53 | 89.5 Ų | 89.5 | 28% | 0.283 | 46% | 0.463 | S | S | . | . | trans | -92.3 | 129.1 | -178.4 | -59.7 | -35.6 | 0 | 0 | 0 | 110.7 | G1818 G1826 E1828 | G1818-N1821 PolarHBondContact O-ND2 2.84Å; G1818-N1821 VanDerWaalsContact O-ND2 3.11Å; G1818-N1821 PolarHBondContact O-OD1 3.26Å; N1821-G1826 WeakPolarHBondContact CB-O 3.4Å; N1821-G1826 PolarHBondContact ND2-O 2.89Å; N1821-E1828 PolarHBondContact OD1-N 3.07Å | ||
| 1822 | R | 47.1 | Very low | 51.6 | Low | 140 Ų | 140 | 91.1 Ų | 91.1 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -73 | -32.8 | 178.7 | -174.3 | -177 | 179.5 | 154.9 | -1.1 | 112.7 | A2002 E2003 | R1822-A2002 VanDerWaalsContact O-CB 3.26Å; R1822-A2002 WeakPolarHBondContact O-CB 3.47Å; R1822-E2003 PolarHBondContact NE-O 3.14Å; R1822-E2003 PolarHBondContact NH2-O 3.26Å |
| 1823 | I | 50.5 | Low | 52.3 | Low | 72 Ų | 72 | 87.3 Ų | 87.3 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -80.2 | 123.4 | 168 | -57.5 | -179.8 | 0 | 0 | 0 | 106.1 | H1825 G1826 G2000 | I1823-H1825 PolarHBondContact O-N 2.91Å; I1823-H1825 VanDerWaalsContact O-N 3.14Å; I1823-G1826 PolarHBondContact O-N 3.31Å; I1823-G2000 WeakPolarHBondContact CG2-O 3.39Å |
| 1824 | V | 53.3 | Low | 53.5 | Low | 60 Ų | 60 | 87.8 Ų | 87.8 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -58.5 | 120.2 | 179 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | G1826 G1999 G2000 | V1824-G1826 PolarHBondContact O-N 2.79Å; V1824-G1826 VanDerWaalsContact O-N 3.08Å; V1824-G1999 CarbonylContact O-C 3.47Å; V1824-G1999 WeakPolarHBondContact O-CA 3.44Å; V1824-G2000 PolarHBondContact N-O 2.97Å; V1824-G2000 VanDerWaalsContact N-O 3.12Å; V1824-G2000 PolarHBondContact O-N 2.95Å |
| 1825 | H | 49.6 | Very low | 54.5 | Low | 127 Ų | 127 | 86.9 Ų | 86.9 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 3.1 | -168.7 | -51.9 | -123.8 | 0 | 0 | 0 | 117.8 | I1823 | I1823-H1825 PolarHBondContact O-N 2.91Å; I1823-H1825 VanDerWaalsContact O-N 3.14Å |
| 1826 | G | 56.6 | Low | 55.9 | Low | 14 Ų | 14 | 86.5 Ų | 86.5 | 14% | 0.144 | 44% | 0.435 | C | S | . | . | trans | -73 | 179.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N1821 I1823 V1824 | N1821-G1826 WeakPolarHBondContact CB-O 3.4Å; N1821-G1826 PolarHBondContact ND2-O 2.89Å; I1823-G1826 PolarHBondContact O-N 3.31Å; V1824-G1826 PolarHBondContact O-N 2.79Å; V1824-G1826 VanDerWaalsContact O-N 3.08Å | ||
| 1827 | F | 61.8 | Low | 57.8 | Low | 100 Ų | 100 | 85.3 Ų | 85.3 | 44% | 0.439 | 42% | 0.424 | S | S | . | . | trans | -123.1 | 149.6 | 174.7 | -48.2 | -85.8 | 0 | 0 | 0 | 108.8 | P1815 H1817 A1829 | P1815-F1827 HydrophobicContact CB-CB 4.19Å; P1815-F1827 HydrophobicContact CB-CD1 3.79Å; P1815-F1827 HydrophobicContact CB-CD2 3.65Å; P1815-F1827 HydrophobicContact CB-CE1 4.06Å; P1815-F1827 HydrophobicContact CB-CE2 3.93Å; P1815-F1827 HydrophobicContact CB-CG 3.58Å; P1815-F1827 HydrophobicContact CB-CZ 4.13Å; H1817-F1827 AromaticContact CE1-CE1 3.85Å; H1817-F1827 AromaticContact ND1-CE1 3.72Å; F1827-A1829 PolarHBondContact O-N 3.27Å | ||
| 1828 | E | 60.4 | Low | 59.6 | Low | 113 Ų | 113 | 77.6 Ų | 77.6 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -59.1 | 123.2 | 168.5 | -170.2 | 171.6 | -170.5 | 0 | 0 | 109.1 | N1821 V1830 | N1821-E1828 PolarHBondContact OD1-N 3.07Å; E1828-V1830 PolarHBondContact O-N 3.02Å |
| 1829 | A | 60.2 | Low | 61.7 | Low | 47 Ų | 47 | 77 Ų | 77 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 135 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | F1827 | F1827-A1829 PolarHBondContact O-N 3.27Š|
| 1830 | V | 64.6 | Low | 63.6 | Low | 30 Ų | 30 | 65.2 Ų | 65.2 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 128.2 | 169.7 | 180 | 0 | 0 | 0 | 0 | 107.9 | F1811 V1816 E1828 H1832 S1833 | F1811-V1830 HydrophobicContact CB-CB 4.37Å; F1811-V1830 HydrophobicContact CB-CG1 3.88Å; F1811-V1830 HydrophobicContact CD1-CG1 3.98Å; F1811-V1830 HydrophobicContact CD2-CG1 3.89Å; F1811-V1830 HydrophobicContact CE2-CG1 4.41Å; F1811-V1830 HydrophobicContact CG-CG1 3.64Å; V1816-V1830 HydrophobicContact CG2-CG2 3.69Å; E1828-V1830 PolarHBondContact O-N 3.02Å; V1830-H1832 PolarHBondContact O-N 2.89Å; V1830-S1833 VanDerWaalsContact O-CB 3.22Å; V1830-S1833 WeakPolarHBondContact O-CB 3.44Å; V1830-S1833 PolarHBondContact O-N 2.87Å; V1830-S1833 PolarHBondContact O-OG 2.79Å |
| 1831 | P | 59.7 | Low | 65.6 | Low | 59 Ų | 59 | 59 Ų | 59 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.6 | 132.6 | 176.6 | -32.7 | 37.4 | 0 | 0 | 0 | 111.7 | F1811 S1833 | F1811-P1831 WeakPolarHBondContact CD2-O 3.35Å; F1811-P1831 VanDerWaalsContact CE2-O 3.25Å; F1811-P1831 WeakPolarHBondContact CE2-O 3.38Å; P1831-S1833 PolarHBondContact O-N 3.34Å |
| 1832 | H | 60.5 | Low | 67.3 | Low | 110 Ų | 110 | 56.6 Ų | 56.6 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 3.2 | -179.7 | -46.3 | -81.7 | 0 | 0 | 0 | 117 | F1811 V1830 H1834 H1921 | F1811-H1832 HydrophobicContact CD2-CB 4.44Å; F1811-H1832 HydrophobicContact CE2-CB 4.38Å; V1830-H1832 PolarHBondContact O-N 2.89Å; H1832-H1834 VanDerWaalsContact C-N 3.28Å; H1832-H1834 PolarHBondContact O-N 3.14Å; H1832-H1921 AromaticContact CE1-CE1 3.88Å; H1832-H1921 AromaticContact NE2-CE1 3.57Å |
| 1833 | S | 65.5 | Low | 68.7 | Low | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -67.7 | -24 | 175.4 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | V1830 P1831 P1835 | V1830-S1833 VanDerWaalsContact O-CB 3.22Å; V1830-S1833 WeakPolarHBondContact O-CB 3.44Å; V1830-S1833 PolarHBondContact O-N 2.87Å; V1830-S1833 PolarHBondContact O-OG 2.79Å; P1831-S1833 PolarHBondContact O-N 3.34Å; S1833-P1835 WeakPolarHBondContact O-CD 3.26Å |
| 1834 | H | 73.9 | Confident | 69.3 | Low | 68 Ų | 68 | 50.7 Ų | 50.7 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | trans | -122.3 | 74.1 | -178.8 | -63.2 | 74.7 | 0 | 0 | 0 | 110.7 | H1832 W1836 Q1837 | H1832-H1834 VanDerWaalsContact C-N 3.28Å; H1832-H1834 PolarHBondContact O-N 3.14Å; H1834-W1836 PolarHBondContact O-N 3.32Å; H1834-Q1837 HydrophobicContact CB-CB 4.45Å; H1834-Q1837 WeakPolarHBondContact O-CB 3.2Å; H1834-Q1837 PolarHBondContact O-N 2.82Å; H1834-Q1837 VanDerWaalsContact O-N 3.16Å | ||
| 1835 | P | 71 | Confident | 69.6 | Low | 75 Ų | 75 | 54.2 Ų | 54.2 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.2 | -169.7 | 25.6 | -34.7 | 0 | 0 | 0 | 114.6 | S1833 Q1837 | S1833-P1835 WeakPolarHBondContact O-CD 3.26Å; P1835-Q1837 VanDerWaalsContact C-N 3.3Å |
| 1836 | W | 77 | Confident | 70.2 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 21% | 0.205 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6.8 | 177.1 | 48.7 | 79.9 | 0 | 0 | 0 | 114.1 | H1834 A1838 S1854 L1855 A2011 F2018 | H1834-W1836 PolarHBondContact O-N 3.32Å; W1836-A1838 PolarHBondContact O-N 3.14Å; W1836-S1854 WeakPolarHBondContact O-CA 3.44Å; W1836-L1855 PolarHBondContact O-N 2.8Å; W1836-A2011 HydrophobicContact CZ2-CB 4.41Å; W1836-F2018 HydrophobicContact CH2-CB 3.57Å; W1836-F2018 HydrophobicContact CH2-CD1 4.16Å; W1836-F2018 AromaticContact CH2-CD2 3.55Å; W1836-F2018 HydrophobicContact CH2-CD2 3.55Å; W1836-F2018 HydrophobicContact CH2-CE2 4.26Å; W1836-F2018 AromaticContact CH2-CG 3.48Å; W1836-F2018 HydrophobicContact CH2-CG 3.48Å; W1836-F2018 VanDerWaalsContact CH2-CG 3.48Å; W1836-F2018 HydrophobicContact CZ2-CB 3.9Å; W1836-F2018 HydrophobicContact CZ2-CD1 4.09Å; W1836-F2018 HydrophobicContact CZ2-CD2 4.3Å; W1836-F2018 AromaticContact CZ2-CG 3.84Å; W1836-F2018 HydrophobicContact CZ2-CG 3.84Å; W1836-F2018 HydrophobicContact CZ3-CB 4.1Å; W1836-F2018 HydrophobicContact CZ3-CD2 4.36Å; W1836-F2018 HydrophobicContact CZ3-CG 4.4Å |
| 1837 | Q | 85.5 | Confident | 70.3 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 128.6 | -177.6 | -171.2 | 66.9 | 13.4 | 0 | 0 | 111.7 | H1834 P1835 G1919 P2009 | H1834-Q1837 HydrophobicContact CB-CB 4.45Å; H1834-Q1837 WeakPolarHBondContact O-CB 3.2Å; H1834-Q1837 PolarHBondContact O-N 2.82Å; H1834-Q1837 VanDerWaalsContact O-N 3.16Å; P1835-Q1837 VanDerWaalsContact C-N 3.3Å; Q1837-G1919 PolarHBondContact O-N 2.89Å; Q1837-P2009 VanDerWaalsContact OE1-CG 3.25Å |
| 1838 | A | 83.7 | Confident | 70.5 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | W1836 G1852 G1853 V1867 V1916 Y1917 L1918 | W1836-A1838 PolarHBondContact O-N 3.14Å; A1838-G1852 CarbonylContact O-C 3.46Å; A1838-G1853 PolarHBondContact N-O 3.25Å; A1838-G1853 PolarHBondContact O-N 3.44Å; A1838-V1867 HydrophobicContact CB-CG1 3.97Å; A1838-V1916 HydrophobicContact CB-CG1 4.18Å; A1838-Y1917 WeakPolarHBondContact CA-O 3.41Å; A1838-L1918 HydrophobicContact CB-CD2 3.75Å |
| 1839 | L | 85.6 | Confident | 71.1 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.2 | 171.7 | 172.4 | 68.1 | 0 | 0 | 0 | 108.7 | Y1841 V1916 Y1917 A1920 L1923 V1926 | L1839-Y1841 HydrophobicContact CD2-CD2 4.22Å; L1839-Y1841 HydrophobicContact CD2-CE2 3.58Å; L1839-Y1841 HydrophobicContact CG-CD2 4.21Å; L1839-Y1841 HydrophobicContact CG-CE2 4.03Å; L1839-V1916 CarbonylContact O-C 3.45Å; L1839-V1916 WeakPolarHBondContact O-CA 3.21Å; L1839-Y1917 PolarHBondContact N-O 2.98Å; L1839-Y1917 PolarHBondContact O-N 3.35Å; L1839-A1920 HydrophobicContact CB-CB 3.79Å; L1839-A1920 HydrophobicContact CD2-CB 4.2Å; L1839-L1923 HydrophobicContact CD1-CD2 4.25Å; L1839-L1923 HydrophobicContact CD2-CD2 3.51Å; L1839-V1926 HydrophobicContact CD2-CG2 4.22Å |
| 1840 | I | 84.5 | Confident | 71.8 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.3 | -177.9 | -51.9 | -179.2 | 0 | 0 | 0 | 108.6 | V1842 K1850 C1851 V1867 T1869 V1914 V1916 | I1840-V1842 HydrophobicContact CG2-CG2 4.03Å; I1840-K1850 WeakPolarHBondContact O-CA 3.41Å; I1840-C1851 HydrophobicContact CB-CB 4.3Å; I1840-C1851 PolarHBondContact N-O 3.11Å; I1840-C1851 PolarHBondContact O-N 3.27Å; I1840-V1867 HydrophobicContact CD1-CG1 4.15Å; I1840-T1869 HydrophobicContact CD1-CG2 3.66Å; I1840-V1914 HydrophobicContact CG2-CG1 3.65Å; I1840-V1916 HydrophobicContact CG1-CG2 4.27Å |
| 1841 | Y | 84.7 | Confident | 72.6 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.3 | 171.1 | -85.6 | -77.7 | 0 | 0 | 0 | 109.5 | L1839 L1848 S1849 K1850 V1914 T1915 Y1917 | L1839-Y1841 HydrophobicContact CD2-CD2 4.22Å; L1839-Y1841 HydrophobicContact CD2-CE2 3.58Å; L1839-Y1841 HydrophobicContact CG-CD2 4.21Å; L1839-Y1841 HydrophobicContact CG-CE2 4.03Å; Y1841-L1848 HydrophobicContact CD1-CD1 3.63Å; Y1841-L1848 HydrophobicContact CD1-CD2 3.56Å; Y1841-L1848 HydrophobicContact CD1-CG 3.48Å; Y1841-L1848 VanDerWaalsContact CD1-CG 3.48Å; Y1841-L1848 HydrophobicContact CE1-CD1 4.36Å; Y1841-L1848 HydrophobicContact CE1-CD2 3.39Å; Y1841-L1848 HydrophobicContact CE1-CG 3.81Å; Y1841-L1848 HydrophobicContact CG-CD1 4.34Å; Y1841-S1849 WeakPolarHBondContact CA-O 3.46Å; Y1841-K1850 HydrophobicContact CD1-CG 3.88Å; Y1841-K1850 HydrophobicContact CE1-CD 3.93Å; Y1841-K1850 VanDerWaalsContact CE1-CE 3.41Å; Y1841-K1850 HydrophobicContact CE1-CG 3.47Å; Y1841-K1850 VanDerWaalsContact CE1-CG 3.47Å; Y1841-K1850 WeakPolarHBondContact OH-CE 3.31Å; Y1841-V1914 WeakPolarHBondContact O-CA 3.27Å; Y1841-T1915 PolarHBondContact N-O 2.77Å; Y1841-T1915 PolarHBondContact O-N 2.84Å; Y1841-Y1917 AromaticContact CD2-CD2 3.67Å; Y1841-Y1917 HydrophobicContact CD2-CD2 3.67Å; Y1841-Y1917 AromaticContact CD2-CE2 3.41Å; Y1841-Y1917 HydrophobicContact CD2-CE2 3.41Å; Y1841-Y1917 VanDerWaalsContact CD2-CE2 3.41Å; Y1841-Y1917 HydrophobicContact CE2-CD2 4.11Å; Y1841-Y1917 AromaticContact CE2-CE2 3.91Å; Y1841-Y1917 HydrophobicContact CE2-CE2 3.91Å; Y1841-Y1917 HydrophobicContact CG-CE2 4.4Å |
| 1842 | V | 77.6 | Confident | 73.8 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 113.8 | 176 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | I1840 I1844 S1849 C1873 V1874 A1909 V1914 | I1840-V1842 HydrophobicContact CG2-CG2 4.03Å; V1842-I1844 HydrophobicContact CG1-CD1 3.63Å; V1842-I1844 HydrophobicContact CG1-CG1 3.86Å; V1842-S1849 PolarHBondContact N-O 2.67Å; V1842-S1849 PolarHBondContact O-N 2.94Å; V1842-C1873 VanDerWaalsContact CG2-O 3.26Å; V1842-C1873 WeakPolarHBondContact CG2-O 3.38Å; V1842-V1874 HydrophobicContact CG2-CG1 4.47Å; V1842-A1909 HydrophobicContact CG1-CB 3.86Å; V1842-V1914 HydrophobicContact CG1-CG2 4.2Å; V1842-V1914 HydrophobicContact CG2-CG1 4.14Å; V1842-V1914 HydrophobicContact CG2-CG2 4.01Å |
| 1843 | N | 77.2 | Confident | 75.1 | Confident | 72 Ų | 72 | 43.6 Ų | 43.6 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 104.6 | 177.9 | -176.7 | -1.9 | 0 | 0 | 0 | 109.6 | G1846 L1848 N1913 | N1843-G1846 WeakPolarHBondContact OD1-CA 3.15Å; N1843-G1846 PolarHBondContact OD1-N 3.32Å; N1843-G1846 VanDerWaalsContact OD1-N 3.13Å; N1843-L1848 HydrophobicContact CB-CD1 4.14Å; N1843-N1913 PolarHBondContact N-O 3.16Å; N1843-N1913 VanDerWaalsContact O-CB 3.28Å; N1843-N1913 WeakPolarHBondContact O-CB 3.35Å; N1843-N1913 PolarHBondContact O-ND2 2.9Å |
| 1844 | I | 62.8 | Low | 76.1 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 111.7 | 176.1 | -70.4 | 158.9 | 0 | 0 | 0 | 107.5 | V1842 G1846 S1847 Y1876 D1878 A1909 | V1842-I1844 HydrophobicContact CG1-CD1 3.63Å; V1842-I1844 HydrophobicContact CG1-CG1 3.86Å; I1844-G1846 PolarHBondContact O-N 3.33Å; I1844-G1846 VanDerWaalsContact O-N 3.11Å; I1844-S1847 PolarHBondContact N-O 2.82Å; I1844-S1847 WeakPolarHBondContact O-CB 3.44Å; I1844-S1847 PolarHBondContact O-N 3.07Å; I1844-Y1876 HydrophobicContact CB-CD2 4.5Å; I1844-Y1876 HydrophobicContact CB-CE2 4.22Å; I1844-Y1876 HydrophobicContact CD1-CD2 4.16Å; I1844-Y1876 HydrophobicContact CD1-CG 4.5Å; I1844-Y1876 HydrophobicContact CG1-CD2 3.91Å; I1844-Y1876 HydrophobicContact CG1-CE2 4.01Å; I1844-Y1876 HydrophobicContact CG2-CD1 4.18Å; I1844-Y1876 HydrophobicContact CG2-CD2 3.79Å; I1844-Y1876 HydrophobicContact CG2-CE1 3.75Å; I1844-Y1876 HydrophobicContact CG2-CE2 3.36Å; I1844-Y1876 HydrophobicContact CG2-CG 4.19Å; I1844-D1878 HydrophobicContact CG2-CB 3.85Å; I1844-A1909 HydrophobicContact CD1-CB 4.46Å |
| 1845 | N | 59.1 | Low | 76.6 | Confident | 135 Ų | 135 | 43.1 Ų | 43.1 | 72% | 0.722 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 35.4 | 177.7 | -71.3 | -14.8 | 0 | 0 | 0 | 115 | S1847 Y1876 | N1845-S1847 VanDerWaalsContact C-N 3.31Å; N1845-Y1876 PolarHBondContact ND2-OH 3.25Å; N1845-Y1876 PolarHBondContact OD1-OH 2.94Å; N1845-Y1876 VanDerWaalsContact OD1-OH 3.12Å |
| 1846 | G | 63.3 | Low | 77 | Confident | 67 Ų | 67 | 40.8 Ų | 40.8 | 69% | 0.691 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -6.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1843 I1844 | N1843-G1846 WeakPolarHBondContact OD1-CA 3.15Å; N1843-G1846 PolarHBondContact OD1-N 3.32Å; N1843-G1846 VanDerWaalsContact OD1-N 3.13Å; I1844-G1846 PolarHBondContact O-N 3.33Å; I1844-G1846 VanDerWaalsContact O-N 3.11Å |
| 1847 | S | 57.8 | Low | 76.6 | Confident | 51 Ų | 51 | 42 Ų | 42 | 36% | 0.357 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 115.3 | 171.4 | -161.6 | 0 | 0 | 0 | 0 | 109.5 | I1844 N1845 D1878 | I1844-S1847 PolarHBondContact N-O 2.82Å; I1844-S1847 WeakPolarHBondContact O-CB 3.44Å; I1844-S1847 PolarHBondContact O-N 3.07Å; N1845-S1847 VanDerWaalsContact C-N 3.31Å; S1847-D1878 WeakPolarHBondContact CB-OD2 3.13Å |
| 1848 | L | 66.3 | Low | 75.6 | Confident | 99 Ų | 99 | 42.6 Ų | 42.6 | 52% | 0.518 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 104.9 | -173.6 | -170.3 | 73.1 | 0 | 0 | 0 | 110.4 | Y1841 N1843 | Y1841-L1848 HydrophobicContact CD1-CD1 3.63Å; Y1841-L1848 HydrophobicContact CD1-CD2 3.56Å; Y1841-L1848 HydrophobicContact CD1-CG 3.48Å; Y1841-L1848 VanDerWaalsContact CD1-CG 3.48Å; Y1841-L1848 HydrophobicContact CE1-CD1 4.36Å; Y1841-L1848 HydrophobicContact CE1-CD2 3.39Å; Y1841-L1848 HydrophobicContact CE1-CG 3.81Å; Y1841-L1848 HydrophobicContact CG-CD1 4.34Å; N1843-L1848 HydrophobicContact CB-CD1 4.14Å |
| 1849 | S | 72.3 | Confident | 74.5 | Confident | 65 Ų | 65 | 47.5 Ų | 47.5 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 145.4 | 176.7 | -152.8 | 0 | 0 | 0 | 0 | 111.5 | Y1841 V1842 | Y1841-S1849 WeakPolarHBondContact CA-O 3.46Å; V1842-S1849 PolarHBondContact N-O 2.67Å; V1842-S1849 PolarHBondContact O-N 2.94Å |
| 1850 | K | 76.4 | Confident | 73 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.6 | -178 | -64.8 | 176.4 | -172.3 | 176.5 | 0 | 110.4 | I1840 Y1841 L1923 | I1840-K1850 WeakPolarHBondContact O-CA 3.41Å; Y1841-K1850 HydrophobicContact CD1-CG 3.88Å; Y1841-K1850 HydrophobicContact CE1-CD 3.93Å; Y1841-K1850 VanDerWaalsContact CE1-CE 3.41Å; Y1841-K1850 HydrophobicContact CE1-CG 3.47Å; Y1841-K1850 VanDerWaalsContact CE1-CG 3.47Å; Y1841-K1850 WeakPolarHBondContact OH-CE 3.31Å; K1850-L1923 HydrophobicContact CD-CD2 4.31Å |
| 1851 | C | 81.4 | Confident | 71.3 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 5% | 0.054 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 157.9 | 175.7 | -85.9 | 0 | 0 | 0 | 0 | 112.2 | I1840 C1873 S2006 | I1840-C1851 HydrophobicContact CB-CB 4.3Å; I1840-C1851 PolarHBondContact N-O 3.11Å; I1840-C1851 PolarHBondContact O-N 3.27Å; C1851-C1873 HydrophobicContact CB-CB 3.59Å; C1851-C1873 WeakPolarHBondContact CB-SG 3.29Å; C1851-C1873 VanDerWaalsContact SG-CA 3.57Å; C1851-C1873 WeakPolarHBondContact SG-CB 3.29Å; C1851-C1873 CovalentContact SG-SG 2.04Å; C1851-C1873 PolarHBondContact SG-SG 2.94Å; C1851-S2006 WeakPolarHBondContact CB-O 3.45Å |
| 1852 | G | 83.7 | Confident | 69.4 | Low | 4 Ų | 4 | 55.7 Ų | 55.7 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 164.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1838 T1869 G2004 S2006 G2007 | A1838-G1852 CarbonylContact O-C 3.46Å; G1852-T1869 PolarHBondContact O-OG1 3.13Å; G1852-G2004 PolarHBondContact N-O 3.22Å; G1852-S2006 PolarHBondContact N-O 3.14Å; G1852-G2007 VanDerWaalsContact C-C 3.44Å; G1852-G2007 CarbonylContact C-O 3.55Å; G1852-G2007 CarbonylContact O-C 3.53Å; G1852-G2007 VanDerWaalsContact O-C 3.23Å; G1852-G2007 WeakPolarHBondContact O-CA 3.1Å |
| 1853 | G | 87.2 | Confident | 68.2 | Low | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 167.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | A1838 L1868 G2007 | A1838-G1853 PolarHBondContact N-O 3.25Å; A1838-G1853 PolarHBondContact O-N 3.44Å; G1853-L1868 WeakPolarHBondContact CA-O 3.42Å; G1853-G2007 WeakPolarHBondContact CA-O 3.31Å |
| 1854 | S | 88.2 | Confident | 67.7 | Low | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.028 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 126.8 | 175.3 | -166.2 | 0 | 0 | 0 | 0 | 110.3 | W1836 I1856 V1867 L1868 | W1836-S1854 WeakPolarHBondContact O-CA 3.44Å; S1854-I1856 PolarHBondContact O-N 2.91Å; S1854-V1867 CarbonylContact O-C 3.49Å; S1854-V1867 WeakPolarHBondContact O-CA 3.47Å; S1854-L1868 PolarHBondContact N-O 3.18Å; S1854-L1868 PolarHBondContact O-N 3.38Å |
| 1855 | L | 83.1 | Confident | 68.2 | Low | 56 Ų | 56 | 62.9 Ų | 62.9 | 29% | 0.293 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 128.2 | 165.5 | -171 | 69.2 | 0 | 0 | 0 | 108.7 | W1836 V1867 L1918 | W1836-L1855 PolarHBondContact O-N 2.8Å; L1855-V1867 HydrophobicContact CD1-CG2 4.25Å; L1855-L1918 HydrophobicContact CB-CD2 4.46Å; L1855-L1918 HydrophobicContact CD1-CD1 4.24Å; L1855-L1918 HydrophobicContact CD1-CD2 4.27Å; L1855-L1918 HydrophobicContact CD2-CD1 4.48Å |
| 1856 | I | 79.3 | Confident | 69.4 | Low | 26 Ų | 26 | 58.6 Ų | 58.6 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | trans | -125.8 | 129.2 | -176.5 | 52.5 | 157.3 | 0 | 0 | 0 | 112 | S1854 S1864 L1866 L1868 L2020 M2052 | S1854-I1856 PolarHBondContact O-N 2.91Å; I1856-S1864 WeakPolarHBondContact O-CB 3.45Å; I1856-S1864 PolarHBondContact O-OG 3.11Å; I1856-L1866 HydrophobicContact CD1-CB 4.2Å; I1856-L1866 HydrophobicContact CG1-CB 3.84Å; I1856-L1866 WeakPolarHBondContact CG1-O 3.34Å; I1856-L1866 PolarHBondContact N-O 3.06Å; I1856-L1868 HydrophobicContact CD1-CB 4.12Å; I1856-L1868 HydrophobicContact CG1-CB 4.35Å; I1856-L1868 HydrophobicContact CG2-CB 4.12Å; I1856-L2020 HydrophobicContact CG2-CD2 3.91Å; I1856-M2052 HydrophobicContact CD1-CE 3.6Å | ||
| 1857 | D | 69.7 | Low | 70.5 | Confident | 81 Ų | 81 | 57.8 Ų | 57.8 | 43% | 0.433 | 33% | 0.333 | S | S | . | . | trans | -101.2 | 109.2 | 172 | 174.3 | 15.8 | 0 | 0 | 0 | 110.3 | N1859 G1860 H1861 | D1857-N1859 PolarHBondContact OD1-N 2.84Å; D1857-G1860 PolarHBondContact OD1-N 3.14Å; D1857-G1860 WeakPolarHBondContact OD2-CA 3.49Å; D1857-G1860 PolarHBondContact OD2-N 3.28Å; D1857-H1861 PolarHBondContact OD1-N 2.99Å; D1857-H1861 PolarHBondContact OD2-N 2.56Å | ||
| 1858 | W | 64.5 | Low | 71.9 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 27% | 0.265 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -80.1 | -28 | -174.5 | -178.4 | -109 | 0 | 0 | 0 | 113.9 | L2049 M2052 R2053 I2056 | W1858-L2049 HydrophobicContact CH2-CD2 4.34Å; W1858-L2049 HydrophobicContact CZ3-CD2 4.02Å; W1858-M2052 HydrophobicContact CE3-CB 4.39Å; W1858-M2052 HydrophobicContact CE3-CE 3.79Å; W1858-M2052 HydrophobicContact CH2-CB 3.64Å; W1858-M2052 HydrophobicContact CZ2-CB 4.25Å; W1858-M2052 HydrophobicContact CZ3-CB 3.72Å; W1858-M2052 HydrophobicContact CZ3-CE 3.76Å; W1858-M2052 HydrophobicContact CZ3-CG 4.5Å; W1858-M2052 HydrophobicContact CZ3-SD 4.07Å; W1858-R2053 HydrophobicContact CH2-CG 3.85Å; W1858-R2053 HydrophobicContact CZ2-CB 4.21Å; W1858-R2053 HydrophobicContact CZ2-CG 3.41Å; W1858-R2053 VanDerWaalsContact CZ2-CG 3.41Å; W1858-I2056 HydrophobicContact CB-CD1 4.11Å; W1858-I2056 HydrophobicContact CD2-CD1 3.53Å; W1858-I2056 HydrophobicContact CE3-CD1 3.88Å; W1858-I2056 HydrophobicContact CG-CD1 3.62Å; W1858-I2056 HydrophobicContact CG-CG2 4.18Å |
| 1859 | N | 59.8 | Low | 72.9 | Confident | 104 Ų | 104 | 53.7 Ų | 53.7 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -122.3 | 8.7 | -169.4 | -73.6 | -30.6 | 0 | 0 | 0 | 113.6 | D1857 H1861 | D1857-N1859 PolarHBondContact OD1-N 2.84Å; N1859-H1861 WeakPolarHBondContact CB-NE2 3.42Å |
| 1860 | G | 53.3 | Low | 73.2 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 63% | 0.629 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 73.2 | 32.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1857 | D1857-G1860 PolarHBondContact OD1-N 3.14Å; D1857-G1860 WeakPolarHBondContact OD2-CA 3.49Å; D1857-G1860 PolarHBondContact OD2-N 3.28Å |
| 1861 | H | 48.8 | Very low | 73 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 26% | 0.255 | 29% | 0.285 | S | S | . | . | trans | -90.5 | 131.5 | 175.3 | -62.4 | -18.3 | 0 | 0 | 0 | 111.1 | K1528 D1857 N1859 S1863 | K1528-H1861 PolarHBondContact NZ-CE1 2.96Å; K1528-H1861 PolarHBondContact NZ-NE2 3.06Å; D1857-H1861 PolarHBondContact OD1-N 2.99Å; D1857-H1861 PolarHBondContact OD2-N 2.56Å; N1859-H1861 WeakPolarHBondContact CB-NE2 3.42Å; H1861-S1863 PolarHBondContact O-N 3.19Å | ||
| 1862 | N | 46.1 | Very low | 72.5 | Confident | 110 Ų | 110 | 51 Ų | 51 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -58.5 | 3.6 | 172.8 | -80.6 | 10.8 | 0 | 0 | 0 | 114.9 | R1530 | R1530-N1862 VanDerWaalsContact NH1-CB 3.3Å; R1530-N1862 PolarHBondContact NH1-ND2 3.47Å; R1530-N1862 VanDerWaalsContact NH1-ND2 3.14Å |
| 1863 | S | 52.1 | Low | 72.1 | Confident | 83 Ų | 83 | 51.2 Ų | 51.2 | 58% | 0.58 | 30% | 0.296 | S | S | * | . | trans | -142.2 | 131.5 | 175.9 | 56.2 | 0 | 0 | 0 | 0 | 108.1 | H1861 | H1861-S1863 PolarHBondContact O-N 3.19Š| ||
| 1864 | S | 65.5 | Low | 71.5 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | trans | -124.9 | 137.3 | 170.6 | 173.6 | 0 | 0 | 0 | 0 | 109.2 | I1856 L1866 | I1856-S1864 WeakPolarHBondContact O-CB 3.45Å; I1856-S1864 PolarHBondContact O-OG 3.11Å; S1864-L1866 PolarHBondContact OG-N 3.3Å; S1864-L1866 PolarHBondContact OG-O 3.03Å | ||
| 1865 | D | 74 | Confident | 70.4 | Confident | 125 Ų | 125 | 52.6 Ų | 52.6 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | trans | -101.5 | 6.5 | 169.6 | 54.9 | -17 | 0 | 0 | 0 | 111.9 | ||||
| 1866 | L | 83.6 | Confident | 69 | Low | 46 Ų | 46 | 52.8 Ų | 52.8 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | trans | -109.2 | 124.7 | -173.3 | -61.3 | 176 | 0 | 0 | 0 | 111.9 | I1856 S1864 I2056 | I1856-L1866 HydrophobicContact CD1-CB 4.2Å; I1856-L1866 HydrophobicContact CG1-CB 3.84Å; I1856-L1866 WeakPolarHBondContact CG1-O 3.34Å; I1856-L1866 PolarHBondContact N-O 3.06Å; S1864-L1866 PolarHBondContact OG-N 3.3Å; S1864-L1866 PolarHBondContact OG-O 3.03Å; L1866-I2056 HydrophobicContact CD1-CD1 4.2Å; L1866-I2056 HydrophobicContact CD1-CG1 4.26Å; L1866-I2056 HydrophobicContact CD1-CG2 4.03Å | ||
| 1867 | V | 87 | Confident | 67.7 | Low | 50 Ų | 50 | 55 Ų | 55 | 30% | 0.303 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.2 | 171.5 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | A1838 I1840 S1854 L1855 V1916 L1918 | A1838-V1867 HydrophobicContact CB-CG1 3.97Å; I1840-V1867 HydrophobicContact CD1-CG1 4.15Å; S1854-V1867 CarbonylContact O-C 3.49Å; S1854-V1867 WeakPolarHBondContact O-CA 3.47Å; L1855-V1867 HydrophobicContact CD1-CG2 4.25Å; V1867-V1916 HydrophobicContact CG2-CG1 4.24Å; V1867-L1918 HydrophobicContact CG2-CD2 4.31Å |
| 1868 | L | 86.8 | Confident | 66.4 | Low | 27 Ų | 27 | 53.3 Ų | 53.3 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.5 | 174.5 | -166.7 | 67.2 | 0 | 0 | 0 | 109.8 | G1853 S1854 I1856 L2020 I2023 V2045 W2051 | G1853-L1868 WeakPolarHBondContact CA-O 3.42Å; S1854-L1868 PolarHBondContact N-O 3.18Å; S1854-L1868 PolarHBondContact O-N 3.38Å; I1856-L1868 HydrophobicContact CD1-CB 4.12Å; I1856-L1868 HydrophobicContact CG1-CB 4.35Å; I1856-L1868 HydrophobicContact CG2-CB 4.12Å; L1868-L2020 HydrophobicContact CD2-CD2 4.1Å; L1868-I2023 HydrophobicContact CD2-CD1 4.06Å; L1868-I2023 HydrophobicContact CD2-CG1 4.05Å; L1868-I2023 HydrophobicContact CG-CD1 4.17Å; L1868-I2023 HydrophobicContact CG-CG1 4.28Å; L1868-V2045 HydrophobicContact CD2-CG1 4.43Å; L1868-V2045 HydrophobicContact CD2-CG2 4.21Å; L1868-W2051 HydrophobicContact CD1-CZ3 4.46Å |
| 1869 | T | 87.8 | Confident | 65.1 | Low | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | trans | -146.6 | 174.4 | 179.3 | -170.4 | 0 | 0 | 0 | 0 | 111 | I1840 G1852 G2007 | I1840-T1869 HydrophobicContact CD1-CG2 3.66Å; G1852-T1869 PolarHBondContact O-OG1 3.13Å; T1869-G2007 WeakPolarHBondContact OG1-CA 3.32Å | ||
| 1870 | A | 79.8 | Confident | 64.2 | Low | 7 Ų | 7 | 57 Ų | 57 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | trans | -76 | 137.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | H1872 C1873 I2023 | A1870-H1872 VanDerWaalsContact C-N 3.29Å; A1870-H1872 PolarHBondContact O-N 3.19Å; A1870-C1873 WeakPolarHBondContact O-CB 3.48Å; A1870-C1873 PolarHBondContact O-N 2.8Å; A1870-I2023 HydrophobicContact CB-CG2 4.17Å | ||
| 1871 | A | 71.5 | Confident | 63.5 | Low | 32 Ų | 32 | 62.9 Ų | 62.9 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -63.8 | -31 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1873 V1874 I1875 Y1943 | A1871-C1873 PolarHBondContact O-N 3.2Å; A1871-C1873 VanDerWaalsContact O-N 3.16Å; A1871-V1874 VanDerWaalsContact O-CG2 3.28Å; A1871-V1874 WeakPolarHBondContact O-CG2 3.06Å; A1871-V1874 PolarHBondContact O-N 3.06Å; A1871-V1874 VanDerWaalsContact O-N 3.16Å; A1871-I1875 WeakPolarHBondContact O-CG1 3.2Å; A1871-Y1943 HydrophobicContact CB-CD2 4.17Å; A1871-Y1943 HydrophobicContact CB-CE2 3.46Å; A1871-Y1943 VanDerWaalsContact CB-CE2 3.46Å |
| 1872 | H | 71.8 | Confident | 63.1 | Low | 61 Ų | 61 | 67.9 Ų | 67.9 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -64.5 | -16.8 | 175.6 | 72.7 | -99.5 | 0 | 0 | 0 | 113.5 | A1870 V1874 S2006 S2025 | A1870-H1872 VanDerWaalsContact C-N 3.29Å; A1870-H1872 PolarHBondContact O-N 3.19Å; H1872-V1874 PolarHBondContact O-N 3.33Å; H1872-S2006 VanDerWaalsContact NE2-CB 3.32Å; H1872-S2006 WeakPolarHBondContact NE2-CB 3.43Å; H1872-S2025 PolarHBondContact CE1-O 3.16Å |
| 1873 | C | 74.5 | Confident | 62.6 | Low | 8 Ų | 8 | 64.3 Ų | 64.3 | 5% | 0.054 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -68.1 | -24.2 | 175.4 | -73.7 | 0 | 0 | 0 | 0 | 113.1 | V1842 C1851 A1870 A1871 | V1842-C1873 VanDerWaalsContact CG2-O 3.26Å; V1842-C1873 WeakPolarHBondContact CG2-O 3.38Å; C1851-C1873 HydrophobicContact CB-CB 3.59Å; C1851-C1873 WeakPolarHBondContact CB-SG 3.29Å; C1851-C1873 VanDerWaalsContact SG-CA 3.57Å; C1851-C1873 WeakPolarHBondContact SG-CB 3.29Å; C1851-C1873 CovalentContact SG-SG 2.04Å; C1851-C1873 PolarHBondContact SG-SG 2.94Å; A1870-C1873 WeakPolarHBondContact O-CB 3.48Å; A1870-C1873 PolarHBondContact O-N 2.8Å; A1871-C1873 PolarHBondContact O-N 3.2Å; A1871-C1873 VanDerWaalsContact O-N 3.16Å |
| 1874 | V | 73.6 | Confident | 61.9 | Low | 13 Ų | 13 | 65.2 Ų | 65.2 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -116.8 | 11 | -176.6 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | V1842 A1871 H1872 L1908 A1909 I1938 | V1842-V1874 HydrophobicContact CG2-CG1 4.47Å; A1871-V1874 VanDerWaalsContact O-CG2 3.28Å; A1871-V1874 WeakPolarHBondContact O-CG2 3.06Å; A1871-V1874 PolarHBondContact O-N 3.06Å; A1871-V1874 VanDerWaalsContact O-N 3.16Å; H1872-V1874 PolarHBondContact O-N 3.33Å; V1874-L1908 HydrophobicContact CG2-CD2 4.23Å; V1874-A1909 PolarHBondContact O-N 3.37Å; V1874-I1938 HydrophobicContact CB-CD1 4.49Å; V1874-I1938 HydrophobicContact CB-CG2 4.07Å; V1874-I1938 HydrophobicContact CG1-CG2 4.47Å; V1874-I1938 HydrophobicContact CG2-CG2 3.74Å |
| 1875 | I | 65.6 | Low | 60.7 | Low | 20 Ų | 20 | 67.5 Ų | 67.5 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 138.2 | 176.5 | -71.7 | 167.4 | 0 | 0 | 0 | 110.5 | A1871 I1877 V1906 L1908 Y1943 | A1871-I1875 WeakPolarHBondContact O-CG1 3.2Å; I1875-I1877 HydrophobicContact CB-CG1 4.41Å; I1875-I1877 HydrophobicContact CG2-CD1 4.34Å; I1875-I1877 HydrophobicContact CG2-CG1 3.78Å; I1875-I1877 PolarHBondContact O-N 3.26Å; I1875-I1877 VanDerWaalsContact O-N 3.14Å; I1875-V1906 HydrophobicContact CB-CG1 4.35Å; I1875-V1906 HydrophobicContact CD1-CG1 3.85Å; I1875-V1906 HydrophobicContact CG1-CG1 3.88Å; I1875-V1906 HydrophobicContact CG2-CG1 3.49Å; I1875-V1906 VanDerWaalsContact CG2-CG1 3.49Å; I1875-L1908 HydrophobicContact CG1-CD2 4.02Å; I1875-Y1943 HydrophobicContact CD1-CD2 4.27Å; I1875-Y1943 HydrophobicContact CD1-CE2 3.37Å |
| 1876 | Y | 55.1 | Low | 58.9 | Low | 61 Ų | 61 | 65 Ų | 65 | 24% | 0.239 | 33% | 0.326 | C | S | . | . | trans | -79.5 | 88 | -178.2 | -155.3 | -80 | 0 | 0 | 0 | 111.3 | I1844 N1845 P1907 | I1844-Y1876 HydrophobicContact CB-CD2 4.5Å; I1844-Y1876 HydrophobicContact CB-CE2 4.22Å; I1844-Y1876 HydrophobicContact CD1-CD2 4.16Å; I1844-Y1876 HydrophobicContact CD1-CG 4.5Å; I1844-Y1876 HydrophobicContact CG1-CD2 3.91Å; I1844-Y1876 HydrophobicContact CG1-CE2 4.01Å; I1844-Y1876 HydrophobicContact CG2-CD1 4.18Å; I1844-Y1876 HydrophobicContact CG2-CD2 3.79Å; I1844-Y1876 HydrophobicContact CG2-CE1 3.75Å; I1844-Y1876 HydrophobicContact CG2-CE2 3.36Å; I1844-Y1876 HydrophobicContact CG2-CG 4.19Å; N1845-Y1876 PolarHBondContact ND2-OH 3.25Å; N1845-Y1876 PolarHBondContact OD1-OH 2.94Å; N1845-Y1876 VanDerWaalsContact OD1-OH 3.12Å; Y1876-P1907 VanDerWaalsContact CB-O 3.27Å; Y1876-P1907 WeakPolarHBondContact CB-O 3.38Å; Y1876-P1907 PolarHBondContact N-O 3.27Å | ||
| 1877 | I | 50.5 | Low | 56.8 | Low | 71 Ų | 71 | 65 Ų | 65 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | trans | -95.9 | -9.6 | -175.3 | -55 | 178.8 | 0 | 0 | 0 | 113 | I1875 R1879 F1880 | I1875-I1877 HydrophobicContact CB-CG1 4.41Å; I1875-I1877 HydrophobicContact CG2-CD1 4.34Å; I1875-I1877 HydrophobicContact CG2-CG1 3.78Å; I1875-I1877 PolarHBondContact O-N 3.26Å; I1875-I1877 VanDerWaalsContact O-N 3.14Å; I1877-R1879 VanDerWaalsContact C-N 3.27Å; I1877-R1879 PolarHBondContact O-N 2.99Å; I1877-F1880 PolarHBondContact O-N 2.95Å; I1877-F1880 VanDerWaalsContact O-N 3.08Å | ||
| 1878 | D | 43.9 | Very low | 54.5 | Low | 47 Ų | 47 | 69.6 Ų | 69.6 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -69.8 | -15.4 | -161.4 | -137.6 | 23.6 | 0 | 0 | 0 | 115.5 | I1844 S1847 F1880 | I1844-D1878 HydrophobicContact CG2-CB 3.85Å; S1847-D1878 WeakPolarHBondContact CB-OD2 3.13Å; D1878-F1880 PolarHBondContact O-N 3.39Å; D1878-F1880 VanDerWaalsContact O-N 3.11Å |
| 1879 | R | 37.1 | Very low | 52.3 | Low | 187 Ų | 187 | 73.4 Ų | 73.4 | 71% | 0.706 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -66.2 | -10.8 | 172.3 | -100.7 | -167.9 | -168.4 | -174.3 | 5.7 | 114 | I1877 | I1877-R1879 VanDerWaalsContact C-N 3.27Å; I1877-R1879 PolarHBondContact O-N 2.99Å |
| 1880 | F | 41.1 | Very low | 49.9 | Very low | 64 Ų | 64 | 74.6 Ų | 74.6 | 28% | 0.281 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -103.6 | -10.5 | -174.4 | -59.6 | -58 | 0 | 0 | 0 | 115.2 | I1877 D1878 F1887 L1890 | I1877-F1880 PolarHBondContact O-N 2.95Å; I1877-F1880 VanDerWaalsContact O-N 3.08Å; D1878-F1880 PolarHBondContact O-N 3.39Å; D1878-F1880 VanDerWaalsContact O-N 3.11Å; F1880-F1887 HydrophobicContact CB-CD2 3.89Å; F1880-F1887 HydrophobicContact CB-CE2 4.38Å; F1880-F1887 HydrophobicContact CD1-CB 4.48Å; F1880-F1887 AromaticContact CD1-CD2 3.56Å; F1880-F1887 HydrophobicContact CD1-CD2 3.56Å; F1880-F1887 HydrophobicContact CD1-CE2 4.3Å; F1880-F1887 HydrophobicContact CD1-CG 4.49Å; F1880-F1887 HydrophobicContact CE1-CD2 4.41Å; F1880-F1887 AromaticContact CG-CD2 3.85Å; F1880-F1887 HydrophobicContact CG-CD2 3.85Å; F1880-F1887 HydrophobicContact CG-CE2 4.29Å; F1880-L1890 HydrophobicContact CD1-CD2 4.18Å; F1880-L1890 HydrophobicContact CE1-CB 3.82Å; F1880-L1890 HydrophobicContact CE1-CD1 4.26Å; F1880-L1890 HydrophobicContact CE1-CD2 3.27Å; F1880-L1890 HydrophobicContact CE1-CG 3.93Å; F1880-L1890 HydrophobicContact CE2-CD2 3.92Å; F1880-L1890 HydrophobicContact CZ-CB 4.39Å; F1880-L1890 HydrophobicContact CZ-CD1 4.04Å; F1880-L1890 HydrophobicContact CZ-CD2 3.11Å; F1880-L1890 HydrophobicContact CZ-CG 3.99Å |
| 1881 | R | 38 | Very low | 48.1 | Very low | 184 Ų | 184 | 77.2 Ų | 77.2 | 69% | 0.694 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -72.3 | -33.1 | -177.4 | -93.5 | -179.1 | 170.4 | 171.4 | -4.2 | 114.1 | ||
| 1882 | N | 39.5 | Very low | 46.8 | Very low | 160 Ų | 160 | 80.8 Ų | 80.8 | 86% | 0.856 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -114.8 | 4.6 | -165.4 | -67.6 | -16.7 | 0 | 0 | 0 | 116.2 | ||
| 1883 | S | 35.6 | Very low | 45.3 | Very low | 35 Ų | 35 | 82.9 Ų | 82.9 | 25% | 0.245 | 39% | 0.393 | C | S | . | . | trans | -142.9 | 101.7 | 176.4 | 177.5 | 0 | 0 | 0 | 0 | 112.3 | S1885 L1886 F1887 | S1883-S1885 PolarHBondContact O-N 3.45Å; S1883-S1885 PolarHBondContact OG-N 3.32Å; S1883-S1885 PolarHBondContact OG-OG 2.99Å; S1883-S1885 VanDerWaalsContact OG-OG 3.04Å; S1883-L1886 PolarHBondContact O-N 2.93Å; S1883-L1886 PolarHBondContact OG-N 2.58Å; S1883-F1887 PolarHBondContact O-N 2.71Å | ||
| 1884 | I | 38 | Very low | 43.6 | Very low | 103 Ų | 103 | 84 Ų | 84 | 53% | 0.528 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.5 | -30.7 | 169.6 | -70.9 | 169.9 | 0 | 0 | 0 | 110.8 | K1888 | I1884-K1888 WeakPolarHBondContact O-CB 3.27Å; I1884-K1888 PolarHBondContact O-N 2.87Å |
| 1885 | S | 40.5 | Very low | 42 | Very low | 80 Ų | 80 | 88.6 Ų | 88.6 | 56% | 0.559 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -71.3 | -42.4 | 178.2 | 77.5 | 0 | 0 | 0 | 0 | 111.7 | S1883 K1888 E1889 | S1883-S1885 PolarHBondContact O-N 3.45Å; S1883-S1885 PolarHBondContact OG-N 3.32Å; S1883-S1885 PolarHBondContact OG-OG 2.99Å; S1883-S1885 VanDerWaalsContact OG-OG 3.04Å; S1885-K1888 PolarHBondContact O-N 3.29Å; S1885-E1889 WeakPolarHBondContact O-CB 3.4Å; S1885-E1889 PolarHBondContact O-N 3.41Å |
| 1886 | L | 35.8 | Very low | 40.9 | Very low | 73 Ų | 73 | 91.8 Ų | 91.8 | 38% | 0.382 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.8 | -30.9 | 177.1 | -121.1 | 92.4 | 0 | 0 | 0 | 112.1 | S1883 E1889 L1890 | S1883-L1886 PolarHBondContact O-N 2.93Å; S1883-L1886 PolarHBondContact OG-N 2.58Å; L1886-E1889 PolarHBondContact O-N 3.46Å; L1886-L1890 WeakPolarHBondContact O-CB 3.42Å; L1886-L1890 PolarHBondContact O-N 2.61Å |
| 1887 | F | 39.1 | Very low | 40 | Very low | 47 Ų | 47 | 90.6 Ų | 90.6 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.2 | -39 | 173 | -166.6 | -94.9 | 0 | 0 | 0 | 111.4 | F1880 S1883 E1889 L1890 M1891 L1955 Y1959 | F1880-F1887 HydrophobicContact CB-CD2 3.89Å; F1880-F1887 HydrophobicContact CB-CE2 4.38Å; F1880-F1887 HydrophobicContact CD1-CB 4.48Å; F1880-F1887 AromaticContact CD1-CD2 3.56Å; F1880-F1887 HydrophobicContact CD1-CD2 3.56Å; F1880-F1887 HydrophobicContact CD1-CE2 4.3Å; F1880-F1887 HydrophobicContact CD1-CG 4.49Å; F1880-F1887 HydrophobicContact CE1-CD2 4.41Å; F1880-F1887 AromaticContact CG-CD2 3.85Å; F1880-F1887 HydrophobicContact CG-CD2 3.85Å; F1880-F1887 HydrophobicContact CG-CE2 4.29Å; S1883-F1887 PolarHBondContact O-N 2.71Å; F1887-E1889 VanDerWaalsContact C-N 3.27Å; F1887-E1889 PolarHBondContact O-N 2.84Å; F1887-L1890 PolarHBondContact O-N 2.95Å; F1887-M1891 HydrophobicContact CD1-CG 3.66Å; F1887-M1891 HydrophobicContact CE1-CG 3.35Å; F1887-M1891 HydrophobicContact CE1-SD 3.88Å; F1887-M1891 HydrophobicContact CG-CG 4.45Å; F1887-M1891 HydrophobicContact CZ-CG 3.92Å; F1887-M1891 HydrophobicContact CZ-SD 3.92Å; F1887-M1891 VanDerWaalsContact O-CB 3.29Å; F1887-M1891 WeakPolarHBondContact O-CB 3.39Å; F1887-M1891 VanDerWaalsContact O-CG 3.25Å; F1887-M1891 WeakPolarHBondContact O-CG 3.38Å; F1887-M1891 PolarHBondContact O-N 2.98Å; F1887-L1955 HydrophobicContact CZ-CD2 4.28Å; F1887-Y1959 HydrophobicContact CE1-CE2 4.36Å |
| 1888 | K | 39 | Very low | 39.4 | Very low | 146 Ų | 146 | 91.1 Ų | 91.1 | 64% | 0.635 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61 | -38 | 169.3 | -82.1 | -175.7 | 176.8 | -178.8 | 0 | 111.7 | I1884 S1885 M1891 F1892 | I1884-K1888 WeakPolarHBondContact O-CB 3.27Å; I1884-K1888 PolarHBondContact O-N 2.87Å; S1885-K1888 PolarHBondContact O-N 3.29Å; K1888-M1891 PolarHBondContact O-N 2.79Å; K1888-F1892 WeakPolarHBondContact O-CB 3.49Å; K1888-F1892 PolarHBondContact O-N 3.04Å |
| 1889 | E | 40.1 | Very low | 39.3 | Very low | 107 Ų | 107 | 97.2 Ų | 97.2 | 50% | 0.5 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.4 | -40.3 | 178.6 | -149.6 | 168.6 | -150.5 | 0 | 0 | 111.9 | S1885 L1886 F1887 F1892 H1893 | S1885-E1889 WeakPolarHBondContact O-CB 3.4Å; S1885-E1889 PolarHBondContact O-N 3.41Å; L1886-E1889 PolarHBondContact O-N 3.46Å; F1887-E1889 VanDerWaalsContact C-N 3.27Å; F1887-E1889 PolarHBondContact O-N 2.84Å; E1889-F1892 CarbonylContact O-C 3.55Å; E1889-F1892 PolarHBondContact O-N 3.14Å; E1889-H1893 WeakPolarHBondContact O-CB 3.44Å; E1889-H1893 PolarHBondContact O-CD2 2.91Å; E1889-H1893 PolarHBondContact O-N 3.15Å |
| 1890 | L | 38.9 | Very low | 39.6 | Very low | 60 Ų | 60 | 97.7 Ų | 97.7 | 31% | 0.314 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 170.9 | -170.2 | 84.8 | 0 | 0 | 0 | 110.8 | F1880 L1886 F1887 F1892 H1893 L1894 | F1880-L1890 HydrophobicContact CD1-CD2 4.18Å; F1880-L1890 HydrophobicContact CE1-CB 3.82Å; F1880-L1890 HydrophobicContact CE1-CD1 4.26Å; F1880-L1890 HydrophobicContact CE1-CD2 3.27Å; F1880-L1890 HydrophobicContact CE1-CG 3.93Å; F1880-L1890 HydrophobicContact CE2-CD2 3.92Å; F1880-L1890 HydrophobicContact CZ-CB 4.39Å; F1880-L1890 HydrophobicContact CZ-CD1 4.04Å; F1880-L1890 HydrophobicContact CZ-CD2 3.11Å; F1880-L1890 HydrophobicContact CZ-CG 3.99Å; L1886-L1890 WeakPolarHBondContact O-CB 3.42Å; L1886-L1890 PolarHBondContact O-N 2.61Å; F1887-L1890 PolarHBondContact O-N 2.95Å; L1890-F1892 VanDerWaalsContact C-N 3.26Å; L1890-F1892 PolarHBondContact O-N 3.27Å; L1890-H1893 CarbonylContact O-C 3.4Å; L1890-H1893 WeakPolarHBondContact O-CA 3.3Å; L1890-H1893 PolarHBondContact O-N 3.23Å; L1890-L1894 HydrophobicContact CD2-CD1 3.59Å; L1890-L1894 HydrophobicContact CG-CD1 3.83Å; L1890-L1894 HydrophobicContact CG-CG 4.38Å; L1890-L1894 WeakPolarHBondContact O-CA 3.42Å; L1890-L1894 VanDerWaalsContact O-CB 3.26Å; L1890-L1894 WeakPolarHBondContact O-CB 3.45Å; L1890-L1894 PolarHBondContact O-N 2.81Å |
| 1891 | M | 40.6 | Very low | 39.3 | Very low | 62 Ų | 62 | 103.1 Ų | 103.1 | 31% | 0.305 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 175.6 | -74.2 | -60.4 | -70.6 | 0 | 0 | 110.7 | F1887 K1888 L1894 E1895 | F1887-M1891 HydrophobicContact CD1-CG 3.66Å; F1887-M1891 HydrophobicContact CE1-CG 3.35Å; F1887-M1891 HydrophobicContact CE1-SD 3.88Å; F1887-M1891 HydrophobicContact CG-CG 4.45Å; F1887-M1891 HydrophobicContact CZ-CG 3.92Å; F1887-M1891 HydrophobicContact CZ-SD 3.92Å; F1887-M1891 VanDerWaalsContact O-CB 3.29Å; F1887-M1891 WeakPolarHBondContact O-CB 3.39Å; F1887-M1891 VanDerWaalsContact O-CG 3.25Å; F1887-M1891 WeakPolarHBondContact O-CG 3.38Å; F1887-M1891 PolarHBondContact O-N 2.98Å; K1888-M1891 PolarHBondContact O-N 2.79Å; M1891-L1894 PolarHBondContact O-N 2.94Å; M1891-E1895 WeakPolarHBondContact O-CA 3.48Å; M1891-E1895 WeakPolarHBondContact O-CB 3.38Å; M1891-E1895 WeakPolarHBondContact O-CG 2.98Å; M1891-E1895 PolarHBondContact O-N 3.2Å |
| 1892 | F | 44.4 | Very low | 39.3 | Very low | 108 Ų | 108 | 97 Ų | 97 | 47% | 0.474 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.8 | -35.8 | 172 | -172.8 | -106.9 | 0 | 0 | 0 | 112 | K1888 E1889 L1890 K1896 | K1888-F1892 WeakPolarHBondContact O-CB 3.49Å; K1888-F1892 PolarHBondContact O-N 3.04Å; E1889-F1892 CarbonylContact O-C 3.55Å; E1889-F1892 PolarHBondContact O-N 3.14Å; L1890-F1892 VanDerWaalsContact C-N 3.26Å; L1890-F1892 PolarHBondContact O-N 3.27Å; F1892-K1896 HydrophobicContact CD1-CD 4.33Å; F1892-K1896 HydrophobicContact CE1-CD 3.93Å; F1892-K1896 VanDerWaalsContact CE1-NZ 3.3Å; F1892-K1896 HydrophobicContact CZ-CD 4.3Å; F1892-K1896 WeakPolarHBondContact O-CB 3.45Å; F1892-K1896 WeakPolarHBondContact O-CG 3.22Å; F1892-K1896 PolarHBondContact O-N 3.17Å |
| 1893 | H | 41 | Very low | 39.1 | Very low | 105 Ų | 105 | 99.3 Ų | 99.3 | 49% | 0.486 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.8 | -29.8 | 174.9 | -83.8 | -64.1 | 0 | 0 | 0 | 113.8 | E1889 L1890 S1897 | E1889-H1893 WeakPolarHBondContact O-CB 3.44Å; E1889-H1893 PolarHBondContact O-CD2 2.91Å; E1889-H1893 PolarHBondContact O-N 3.15Å; L1890-H1893 CarbonylContact O-C 3.4Å; L1890-H1893 WeakPolarHBondContact O-CA 3.3Å; L1890-H1893 PolarHBondContact O-N 3.23Å; H1893-S1897 WeakPolarHBondContact O-CA 3.24Å; H1893-S1897 WeakPolarHBondContact O-CB 3.31Å; H1893-S1897 PolarHBondContact O-N 3.32Å; H1893-S1897 PolarHBondContact O-OG 2.86Å |
| 1894 | L | 38.1 | Very low | 39.3 | Very low | 31 Ų | 31 | 101.1 Ų | 101.1 | 16% | 0.162 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -78.4 | -45.5 | 174.5 | -96.6 | 161.8 | 0 | 0 | 0 | 108.5 | L1890 M1891 K1896 S1897 I1898 V1904 | L1890-L1894 HydrophobicContact CD2-CD1 3.59Å; L1890-L1894 HydrophobicContact CG-CD1 3.83Å; L1890-L1894 HydrophobicContact CG-CG 4.38Å; L1890-L1894 WeakPolarHBondContact O-CA 3.42Å; L1890-L1894 VanDerWaalsContact O-CB 3.26Å; L1890-L1894 WeakPolarHBondContact O-CB 3.45Å; L1890-L1894 PolarHBondContact O-N 2.81Å; M1891-L1894 PolarHBondContact O-N 2.94Å; L1894-K1896 VanDerWaalsContact C-N 3.28Å; L1894-K1896 PolarHBondContact O-N 3.08Å; L1894-S1897 CarbonylContact O-C 3.59Å; L1894-S1897 PolarHBondContact O-N 2.83Å; L1894-S1897 VanDerWaalsContact O-N 3.15Å; L1894-I1898 HydrophobicContact CB-CD1 4.4Å; L1894-I1898 HydrophobicContact CD2-CD1 4.24Å; L1894-I1898 HydrophobicContact CD2-CG1 4.49Å; L1894-I1898 WeakPolarHBondContact O-CA 3.41Å; L1894-I1898 WeakPolarHBondContact O-CB 3.35Å; L1894-I1898 WeakPolarHBondContact O-CD1 3.37Å; L1894-I1898 WeakPolarHBondContact O-CG1 3.4Å; L1894-I1898 PolarHBondContact O-N 3.01Å; L1894-V1904 HydrophobicContact CD2-CG2 4Å |
| 1895 | E | 40.4 | Very low | 39.4 | Very low | 109 Ų | 109 | 104.7 Ų | 104.7 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 168.7 | -82.8 | -167.5 | 141.3 | 0 | 0 | 110.6 | M1891 K1899 | M1891-E1895 WeakPolarHBondContact O-CA 3.48Å; M1891-E1895 WeakPolarHBondContact O-CB 3.38Å; M1891-E1895 WeakPolarHBondContact O-CG 2.98Å; M1891-E1895 PolarHBondContact O-N 3.2Å; E1895-K1899 WeakPolarHBondContact O-CB 3.09Å; E1895-K1899 VanDerWaalsContact O-CG 3.25Å; E1895-K1899 WeakPolarHBondContact O-CG 2.99Å; E1895-K1899 PolarHBondContact O-N 2.86Å |
| 1896 | K | 42.3 | Very low | 40 | Very low | 87 Ų | 87 | 103.5 Ų | 103.5 | 38% | 0.378 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 173.5 | -89.5 | -176.7 | 174.2 | 172 | 0 | 112.9 | F1892 L1894 K1899 R1900 | F1892-K1896 HydrophobicContact CD1-CD 4.33Å; F1892-K1896 HydrophobicContact CE1-CD 3.93Å; F1892-K1896 VanDerWaalsContact CE1-NZ 3.3Å; F1892-K1896 HydrophobicContact CZ-CD 4.3Å; F1892-K1896 WeakPolarHBondContact O-CB 3.45Å; F1892-K1896 WeakPolarHBondContact O-CG 3.22Å; F1892-K1896 PolarHBondContact O-N 3.17Å; L1894-K1896 VanDerWaalsContact C-N 3.28Å; L1894-K1896 PolarHBondContact O-N 3.08Å; K1896-K1899 CarbonylContact O-C 3.53Å; K1896-R1900 WeakPolarHBondContact O-CB 3.4Å; K1896-R1900 WeakPolarHBondContact O-CG 3.36Å; K1896-R1900 PolarHBondContact O-N 2.82Å |
| 1897 | S | 37.1 | Very low | 41 | Very low | 37 Ų | 37 | 103.7 Ų | 103.7 | 26% | 0.259 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -78.8 | -29.3 | -178.7 | -74.4 | 0 | 0 | 0 | 0 | 112.6 | H1893 L1894 R1900 K1901 A1902 | H1893-S1897 WeakPolarHBondContact O-CA 3.24Å; H1893-S1897 WeakPolarHBondContact O-CB 3.31Å; H1893-S1897 PolarHBondContact O-N 3.32Å; H1893-S1897 PolarHBondContact O-OG 2.86Å; L1894-S1897 CarbonylContact O-C 3.59Å; L1894-S1897 PolarHBondContact O-N 2.83Å; L1894-S1897 VanDerWaalsContact O-N 3.15Å; S1897-R1900 CarbonylContact O-C 3.53Å; S1897-R1900 VanDerWaalsContact O-C 3.25Å; S1897-R1900 PolarHBondContact O-N 3.02Å; S1897-K1901 WeakPolarHBondContact O-CA 3.19Å; S1897-K1901 PolarHBondContact O-N 3.05Å; S1897-A1902 PolarHBondContact O-N 3.21Å |
| 1898 | I | 37.5 | Very low | 42.4 | Very low | 82 Ų | 82 | 104.3 Ų | 104.3 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.3 | -47.1 | 168.6 | -68.3 | 165.7 | 0 | 0 | 0 | 107.7 | L1894 R1900 K1901 | L1894-I1898 HydrophobicContact CB-CD1 4.4Å; L1894-I1898 HydrophobicContact CD2-CD1 4.24Å; L1894-I1898 HydrophobicContact CD2-CG1 4.49Å; L1894-I1898 WeakPolarHBondContact O-CA 3.41Å; L1894-I1898 WeakPolarHBondContact O-CB 3.35Å; L1894-I1898 WeakPolarHBondContact O-CD1 3.37Å; L1894-I1898 WeakPolarHBondContact O-CG1 3.4Å; L1894-I1898 PolarHBondContact O-N 3.01Å; I1898-R1900 PolarHBondContact O-N 2.92Å; I1898-K1901 PolarHBondContact O-N 2.88Å |
| 1899 | K | 42.2 | Very low | 43.9 | Very low | 175 Ų | 175 | 97.5 Ų | 97.5 | 76% | 0.761 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.2 | -22.6 | 169.1 | -77.2 | 178.7 | 175.3 | 169.7 | 0 | 113.3 | E1895 K1896 | E1895-K1899 WeakPolarHBondContact O-CB 3.09Å; E1895-K1899 VanDerWaalsContact O-CG 3.25Å; E1895-K1899 WeakPolarHBondContact O-CG 2.99Å; E1895-K1899 PolarHBondContact O-N 2.86Å; K1896-K1899 CarbonylContact O-C 3.53Å |
| 1900 | R | 41.5 | Very low | 45.8 | Very low | 197 Ų | 197 | 96.9 Ų | 96.9 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 6.5 | 177.7 | -70.8 | 178.7 | 175.4 | -173 | -1.9 | 114.5 | K1896 S1897 I1898 A1902 | K1896-R1900 WeakPolarHBondContact O-CB 3.4Å; K1896-R1900 WeakPolarHBondContact O-CG 3.36Å; K1896-R1900 PolarHBondContact O-N 2.82Å; S1897-R1900 CarbonylContact O-C 3.53Å; S1897-R1900 VanDerWaalsContact O-C 3.25Å; S1897-R1900 PolarHBondContact O-N 3.02Å; I1898-R1900 PolarHBondContact O-N 2.92Å; R1900-A1902 VanDerWaalsContact C-N 3.32Å; R1900-A1902 PolarHBondContact O-N 3.23Å |
| 1901 | K | 35.8 | Very low | 47.8 | Very low | 177 Ų | 177 | 95.4 Ų | 95.4 | 77% | 0.77 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 40.1 | 178.8 | -61.7 | -175.1 | 175.4 | -176.6 | 0 | 115.6 | S1897 I1898 | S1897-K1901 WeakPolarHBondContact O-CA 3.19Å; S1897-K1901 PolarHBondContact O-N 3.05Å; I1898-K1901 PolarHBondContact O-N 2.88Å |
| 1902 | A | 37.1 | Very low | 49.7 | Very low | 56 Ų | 56 | 100.4 Ų | 100.4 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | trans | -87.6 | 136.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1897 R1900 V1904 | S1897-A1902 PolarHBondContact O-N 3.21Å; R1900-A1902 VanDerWaalsContact C-N 3.32Å; R1900-A1902 PolarHBondContact O-N 3.23Å; A1902-V1904 PolarHBondContact O-N 3.13Å | ||
| 1903 | K | 35.7 | Very low | 51.5 | Low | 208 Ų | 208 | 98.1 Ų | 98.1 | 90% | 0.904 | 48% | 0.481 | S | S | * | . | trans | -58.6 | 118.1 | 172 | -86.5 | -177.1 | 174 | -178.7 | 0 | 109.3 | ||||
| 1904 | V | 40.2 | Very low | 53.6 | Low | 73 Ų | 73 | 93.3 Ų | 93.3 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | trans | -92.3 | 107.4 | 169.4 | -178 | 0 | 0 | 0 | 0 | 107.1 | L1894 A1902 V1906 | L1894-V1904 HydrophobicContact CD2-CG2 4Å; A1902-V1904 PolarHBondContact O-N 3.13Å; V1904-V1906 PolarHBondContact O-N 2.89Å | ||
| 1905 | E | 40.7 | Very low | 55.8 | Low | 179 Ų | 179 | 93 Ų | 93 | 84% | 0.836 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 122.2 | 165.4 | -77.9 | -179.6 | 166.3 | 0 | 0 | 108.2 | P1907 | E1905-P1907 WeakPolarHBondContact O-CD 3.36Š|
| 1906 | V | 51.5 | Low | 58 | Low | 54 Ų | 54 | 88.5 Ų | 88.5 | 33% | 0.327 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 119.6 | 174.1 | -176.5 | 0 | 0 | 0 | 0 | 107.1 | I1875 V1904 L1908 | I1875-V1906 HydrophobicContact CB-CG1 4.35Å; I1875-V1906 HydrophobicContact CD1-CG1 3.85Å; I1875-V1906 HydrophobicContact CG1-CG1 3.88Å; I1875-V1906 HydrophobicContact CG2-CG1 3.49Å; I1875-V1906 VanDerWaalsContact CG2-CG1 3.49Å; V1904-V1906 PolarHBondContact O-N 2.89Å; V1906-L1908 PolarHBondContact O-N 2.04Å; V1906-L1908 VanDerWaalsContact O-N 3.17Å |
| 1907 | P | 58.4 | Low | 59.9 | Low | 77 Ų | 77 | 86.2 Ų | 86.2 | 50% | 0.5 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 116.2 | -178.6 | 25.8 | -31.8 | 0 | 0 | 0 | 109.6 | Y1876 E1905 | Y1876-P1907 VanDerWaalsContact CB-O 3.27Å; Y1876-P1907 WeakPolarHBondContact CB-O 3.38Å; Y1876-P1907 PolarHBondContact N-O 3.27Å; E1905-P1907 WeakPolarHBondContact O-CD 3.36Å |
| 1908 | L | 67.5 | Low | 61.7 | Low | 60 Ų | 60 | 86.6 Ų | 86.6 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -81.3 | 151.8 | 170.6 | -66.1 | 168.8 | 0 | 0 | 0 | 109.7 | V1874 I1875 V1906 I1938 P1940 | V1874-L1908 HydrophobicContact CG2-CD2 4.23Å; I1875-L1908 HydrophobicContact CG1-CD2 4.02Å; V1906-L1908 PolarHBondContact O-N 2.04Å; V1906-L1908 VanDerWaalsContact O-N 3.17Å; L1908-I1938 HydrophobicContact CD1-CG2 4.36Å; L1908-I1938 HydrophobicContact CD2-CG2 4.43Å; L1908-P1940 HydrophobicContact CD1-CB 4.06Å; L1908-P1940 HydrophobicContact CD1-CG 3.78Å; L1908-P1940 HydrophobicContact CD2-CB 4.4Å |
| 1909 | A | 71.2 | Confident | 62.9 | Low | 3 Ų | 3 | 83.9 Ų | 83.9 | 3% | 0.025 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 143.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V1842 I1844 V1874 V1914 I1938 | V1842-A1909 HydrophobicContact CG1-CB 3.86Å; I1844-A1909 HydrophobicContact CD1-CB 4.46Å; V1874-A1909 PolarHBondContact O-N 3.37Å; A1909-V1914 HydrophobicContact CB-CG2 4.04Å; A1909-I1938 VanDerWaalsContact O-CD1 3.25Å; A1909-I1938 WeakPolarHBondContact O-CD1 3.41Å |
| 1910 | N | 79.6 | Confident | 63.8 | Low | 95 Ų | 95 | 76.4 Ų | 76.4 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 137.2 | 172.9 | -144.5 | 6.4 | 0 | 0 | 0 | 108.5 | E1912 N1913 | N1910-E1912 PolarHBondContact O-N 2.88Å; N1910-E1912 VanDerWaalsContact O-N 3.11Å; N1910-N1913 WeakPolarHBondContact O-CB 3.38Å; N1910-N1913 PolarHBondContact O-N 3.46Å |
| 1911 | P | 80.7 | Confident | 64.5 | Low | 29 Ų | 29 | 70 Ų | 70 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -53.4 | -34.8 | -177.2 | -28.3 | 35.6 | 0 | 0 | 0 | 114.1 | N1913 V1914 V1935 I1938 | P1911-N1913 PolarHBondContact O-N 3.18Å; P1911-V1914 PolarHBondContact O-N 3.39Å; P1911-V1935 CarbonylContact C-O 3.49Å; P1911-V1935 HydrophobicContact CB-CG1 4.35Å; P1911-V1935 WeakPolarHBondContact CB-O 3.49Å; P1911-I1938 HydrophobicContact CB-CD1 4.42Å; P1911-I1938 HydrophobicContact CB-CG1 4.5Å; P1911-I1938 HydrophobicContact CG-CD1 4.25Å; P1911-I1938 HydrophobicContact CG-CG1 4.31Å |
| 1912 | E | 81.2 | Confident | 65.6 | Low | 167 Ų | 167 | 64.1 Ų | 64.1 | 78% | 0.78 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -60.2 | -25.2 | 176.2 | -60.3 | 178.8 | 175.2 | 0 | 0 | 113.8 | N1910 V1914 | N1910-E1912 PolarHBondContact O-N 2.88Å; N1910-E1912 VanDerWaalsContact O-N 3.11Å; E1912-V1914 VanDerWaalsContact C-N 3.31Å |
| 1913 | N | 82.5 | Confident | 66.4 | Low | 59 Ų | 59 | 64.3 Ų | 64.3 | 32% | 0.316 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -87.4 | -1.2 | 178.5 | -72.9 | -7.1 | 0 | 0 | 0 | 113 | N1843 N1910 P1911 | N1843-N1913 PolarHBondContact N-O 3.16Å; N1843-N1913 VanDerWaalsContact O-CB 3.28Å; N1843-N1913 WeakPolarHBondContact O-CB 3.35Å; N1843-N1913 PolarHBondContact O-ND2 2.9Å; N1910-N1913 WeakPolarHBondContact O-CB 3.38Å; N1910-N1913 PolarHBondContact O-N 3.46Å; P1911-N1913 PolarHBondContact O-N 3.18Å |
| 1914 | V | 84.5 | Confident | 67.2 | Low | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.4 | -178.5 | -175.5 | 0 | 0 | 0 | 0 | 110 | I1840 Y1841 V1842 A1909 P1911 E1912 V1935 I1938 | I1840-V1914 HydrophobicContact CG2-CG1 3.65Å; Y1841-V1914 WeakPolarHBondContact O-CA 3.27Å; V1842-V1914 HydrophobicContact CG1-CG2 4.2Å; V1842-V1914 HydrophobicContact CG2-CG1 4.14Å; V1842-V1914 HydrophobicContact CG2-CG2 4.01Å; A1909-V1914 HydrophobicContact CB-CG2 4.04Å; P1911-V1914 PolarHBondContact O-N 3.39Å; E1912-V1914 VanDerWaalsContact C-N 3.31Å; V1914-V1935 HydrophobicContact CB-CB 4.22Å; V1914-V1935 HydrophobicContact CB-CG2 4Å; V1914-V1935 HydrophobicContact CG1-CB 4.39Å; V1914-V1935 HydrophobicContact CG1-CG2 3.68Å; V1914-I1938 HydrophobicContact CB-CD1 4.45Å; V1914-I1938 HydrophobicContact CG2-CD1 3.71Å |
| 1915 | T | 84.7 | Confident | 67.6 | Low | 26 Ų | 26 | 68.7 Ų | 68.7 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.3 | 178.4 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | Y1841 Y1917 K1932 | Y1841-T1915 PolarHBondContact N-O 2.77Å; Y1841-T1915 PolarHBondContact O-N 2.84Å; T1915-Y1917 HydrophobicContact CG2-CD2 4.17Å; T1915-Y1917 HydrophobicContact CG2-CE2 3.48Å; T1915-Y1917 VanDerWaalsContact CG2-CE2 3.48Å; T1915-K1932 HydrophobicContact CG2-CD 3.86Å; T1915-K1932 VanDerWaalsContact CG2-CE 3.41Å; T1915-K1932 HydrophobicContact CG2-CG 3.39Å |
| 1916 | V | 85.6 | Confident | 67.9 | Low | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.4 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | A1838 L1839 I1840 V1867 L1918 Y1933 V1935 | A1838-V1916 HydrophobicContact CB-CG1 4.18Å; L1839-V1916 CarbonylContact O-C 3.45Å; L1839-V1916 WeakPolarHBondContact O-CA 3.21Å; I1840-V1916 HydrophobicContact CG1-CG2 4.27Å; V1867-V1916 HydrophobicContact CG2-CG1 4.24Å; V1916-L1918 HydrophobicContact CG1-CD2 4.19Å; V1916-Y1933 PolarHBondContact N-O 2.81Å; V1916-Y1933 PolarHBondContact O-N 2.88Å; V1916-V1935 HydrophobicContact CG2-CG2 3.65Å |
| 1917 | Y | 82 | Confident | 67.6 | Low | 40 Ų | 40 | 67.4 Ų | 67.4 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123.4 | 172.7 | -61.9 | -95.1 | 0 | 0 | 0 | 109.4 | A1838 L1839 Y1841 T1915 V1926 K1932 | A1838-Y1917 WeakPolarHBondContact CA-O 3.41Å; L1839-Y1917 PolarHBondContact N-O 2.98Å; L1839-Y1917 PolarHBondContact O-N 3.35Å; Y1841-Y1917 AromaticContact CD2-CD2 3.67Å; Y1841-Y1917 HydrophobicContact CD2-CD2 3.67Å; Y1841-Y1917 AromaticContact CD2-CE2 3.41Å; Y1841-Y1917 HydrophobicContact CD2-CE2 3.41Å; Y1841-Y1917 VanDerWaalsContact CD2-CE2 3.41Å; Y1841-Y1917 HydrophobicContact CE2-CD2 4.11Å; Y1841-Y1917 AromaticContact CE2-CE2 3.91Å; Y1841-Y1917 HydrophobicContact CE2-CE2 3.91Å; Y1841-Y1917 HydrophobicContact CG-CE2 4.4Å; T1915-Y1917 HydrophobicContact CG2-CD2 4.17Å; T1915-Y1917 HydrophobicContact CG2-CE2 3.48Å; T1915-Y1917 VanDerWaalsContact CG2-CE2 3.48Å; Y1917-V1926 HydrophobicContact CD1-CG1 3.6Å; Y1917-V1926 HydrophobicContact CD2-CG1 4.31Å; Y1917-V1926 HydrophobicContact CE1-CG1 3.69Å; Y1917-V1926 HydrophobicContact CE2-CG1 4.39Å; Y1917-V1926 HydrophobicContact CG-CG1 3.92Å; Y1917-K1932 HydrophobicContact CD1-CB 4.39Å; Y1917-K1932 HydrophobicContact CE1-CB 3.91Å; Y1917-K1932 HydrophobicContact CE1-CG 4.05Å |
| 1918 | L | 76 | Confident | 67.1 | Low | 45 Ų | 45 | 69.2 Ų | 69.2 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 147.8 | 178.5 | -61.4 | 178.3 | 0 | 0 | 0 | 111.5 | A1838 L1855 V1867 V1916 A1920 Y1933 | A1838-L1918 HydrophobicContact CB-CD2 3.75Å; L1855-L1918 HydrophobicContact CB-CD2 4.46Å; L1855-L1918 HydrophobicContact CD1-CD1 4.24Å; L1855-L1918 HydrophobicContact CD1-CD2 4.27Å; L1855-L1918 HydrophobicContact CD2-CD1 4.48Å; V1867-L1918 HydrophobicContact CG2-CD2 4.31Å; V1916-L1918 HydrophobicContact CG1-CD2 4.19Å; L1918-A1920 VanDerWaalsContact C-N 3.28Å; L1918-A1920 PolarHBondContact O-N 3.14Å; L1918-Y1933 HydrophobicContact CD1-CD2 4.13Å; L1918-Y1933 HydrophobicContact CD1-CE2 3.71Å; L1918-Y1933 HydrophobicContact CG-CD2 4.21Å; L1918-Y1933 HydrophobicContact CG-CE2 4.09Å |
| 1919 | G | 63.1 | Low | 65.9 | Low | 25 Ų | 25 | 71.4 Ų | 71.4 | 26% | 0.258 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 69.7 | 21.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q1837 H1921 | Q1837-G1919 PolarHBondContact O-N 2.89Å; G1919-H1921 PolarHBondContact O-N 3.45Å; G1919-H1921 VanDerWaalsContact O-N 3.1Å |
| 1920 | A | 59.7 | Low | 65.1 | Low | 18 Ų | 18 | 73.8 Ų | 73.8 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | trans | -76.2 | 97.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1839 L1918 R1930 | L1839-A1920 HydrophobicContact CB-CB 3.79Å; L1839-A1920 HydrophobicContact CD2-CB 4.2Å; L1918-A1920 VanDerWaalsContact C-N 3.28Å; L1918-A1920 PolarHBondContact O-N 3.14Å; A1920-R1930 VanDerWaalsContact CA-NH1 3.32Å | ||
| 1921 | H | 57 | Low | 64.1 | Low | 63 Ų | 63 | 75.9 Ų | 75.9 | 29% | 0.292 | 38% | 0.378 | S | S | . | . | trans | -95.8 | -24.4 | 178.9 | 58.6 | -101.6 | 0 | 0 | 0 | 114.3 | H1832 G1919 R1930 | H1832-H1921 AromaticContact CE1-CE1 3.88Å; H1832-H1921 AromaticContact NE2-CE1 3.57Å; G1919-H1921 PolarHBondContact O-N 3.45Å; G1919-H1921 VanDerWaalsContact O-N 3.1Å; H1921-R1930 PolarHBondContact CE1-NH2 3.41Å; H1921-R1930 PolarHBondContact ND1-NH2 3.23Å; H1921-R1930 PolarHBondContact NE2-NH2 2.9Å | ||
| 1922 | N | 58.1 | Low | 63.7 | Low | 53 Ų | 53 | 81 Ų | 81 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | trans | -137.9 | 120.3 | 179.1 | -171.8 | -22.4 | 0 | 0 | 0 | 110.2 | K1924 R1925 R1930 | N1922-K1924 VanDerWaalsContact C-N 3.29Å; N1922-K1924 PolarHBondContact O-N 3.42Å; N1922-K1924 WeakPolarHBondContact OD1-CB 3.28Å; N1922-K1924 PolarHBondContact OD1-N 3Å; N1922-R1925 PolarHBondContact O-N 2.82Å; N1922-R1930 PolarHBondContact O-NH1 3.22Å | ||
| 1923 | L | 54.2 | Low | 63.4 | Low | 60 Ų | 60 | 77.9 Ų | 77.9 | 31% | 0.314 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -66.6 | -25.6 | -179.8 | -85.5 | 159.1 | 0 | 0 | 0 | 113.3 | L1839 K1850 R1925 V1926 | L1839-L1923 HydrophobicContact CD1-CD2 4.25Å; L1839-L1923 HydrophobicContact CD2-CD2 3.51Å; K1850-L1923 HydrophobicContact CD-CD2 4.31Å; L1923-R1925 PolarHBondContact O-N 2.85Å; L1923-V1926 HydrophobicContact CD2-CG2 4.47Å |
| 1924 | K | 53.6 | Low | 63.3 | Low | 203 Ų | 203 | 79.3 Ų | 79.3 | 88% | 0.883 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -71.9 | -13.1 | 179.2 | -70.1 | -172.9 | 175.9 | -178.4 | 0 | 113.7 | N1922 | N1922-K1924 VanDerWaalsContact C-N 3.29Å; N1922-K1924 PolarHBondContact O-N 3.42Å; N1922-K1924 WeakPolarHBondContact OD1-CB 3.28Å; N1922-K1924 PolarHBondContact OD1-N 3Å |
| 1925 | R | 46.9 | Very low | 63.1 | Low | 170 Ų | 170 | 80.7 Ų | 80.7 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -116.9 | 11.7 | -176.3 | -90.2 | -173.2 | 177.5 | 175.6 | -0.3 | 114.5 | N1922 L1923 E1927 | N1922-R1925 PolarHBondContact O-N 2.82Å; L1923-R1925 PolarHBondContact O-N 2.85Å; R1925-E1927 VanDerWaalsContact C-N 3.27Å; R1925-E1927 PolarHBondContact O-N 3.25Å |
| 1926 | V | 47.6 | Very low | 62.8 | Low | 11 Ų | 11 | 84.6 Ų | 84.6 | 7% | 0.067 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -27.7 | -173.3 | 179.5 | 0 | 0 | 0 | 0 | 112.5 | L1839 Y1917 L1923 T1928 | L1839-V1926 HydrophobicContact CD2-CG2 4.22Å; Y1917-V1926 HydrophobicContact CD1-CG1 3.6Å; Y1917-V1926 HydrophobicContact CD2-CG1 4.31Å; Y1917-V1926 HydrophobicContact CE1-CG1 3.69Å; Y1917-V1926 HydrophobicContact CE2-CG1 4.39Å; Y1917-V1926 HydrophobicContact CG-CG1 3.92Å; L1923-V1926 HydrophobicContact CD2-CG2 4.47Å; V1926-T1928 PolarHBondContact O-N 2.92Å |
| 1927 | E | 45.7 | Very low | 62.6 | Low | 194 Ų | 194 | 89.2 Ų | 89.2 | 91% | 0.907 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -19.1 | -172.9 | -72.2 | -176.2 | 168.2 | 0 | 0 | 115.4 | R1925 | R1925-E1927 VanDerWaalsContact C-N 3.27Å; R1925-E1927 PolarHBondContact O-N 3.25Å |
| 1928 | T | 46.7 | Very low | 62.3 | Low | 115 Ų | 115 | 88.9 Ų | 88.9 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -14 | -166.9 | 56.1 | 0 | 0 | 0 | 0 | 116.6 | V1926 | V1926-T1928 PolarHBondContact O-N 2.92Š|
| 1929 | T | 44.1 | Very low | 62.3 | Low | 107 Ų | 107 | 90.2 Ų | 90.2 | 66% | 0.656 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -150.2 | 30.3 | -170.1 | 63.7 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1930 | R | 52.6 | Low | 62.4 | Low | 52 Ų | 52 | 91.9 Ų | 91.9 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | trans | -138.6 | 146.5 | -176.5 | -66.2 | -170.4 | -178.8 | 131.9 | 8.9 | 115 | A1920 H1921 N1922 K1932 | A1920-R1930 VanDerWaalsContact CA-NH1 3.32Å; H1921-R1930 PolarHBondContact CE1-NH2 3.41Å; H1921-R1930 PolarHBondContact ND1-NH2 3.23Å; H1921-R1930 PolarHBondContact NE2-NH2 2.9Å; N1922-R1930 PolarHBondContact O-NH1 3.22Å; R1930-K1932 PolarHBondContact O-N 3.23Å | ||
| 1931 | E | 59.8 | Low | 62.4 | Low | 139 Ų | 139 | 92 Ų | 92 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | trans | -66.6 | 109.2 | 176 | -67.1 | 177.2 | 150.2 | 0 | 0 | 110 | Y1933 | E1931-Y1933 HydrophobicContact CB-CD2 4.34Å; E1931-Y1933 HydrophobicContact CB-CE2 3.53Å; E1931-Y1933 WeakPolarHBondContact O-CD2 3.5Å; E1931-Y1933 PolarHBondContact OE2-OH 3.41Å | ||
| 1932 | K | 71.1 | Confident | 62 | Low | 137 Ų | 137 | 93.1 Ų | 93.1 | 60% | 0.596 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.9 | 172.5 | 178.5 | -176.1 | 168.3 | -179.5 | 0 | 108.2 | T1915 Y1917 R1930 | T1915-K1932 HydrophobicContact CG2-CD 3.86Å; T1915-K1932 VanDerWaalsContact CG2-CE 3.41Å; T1915-K1932 HydrophobicContact CG2-CG 3.39Å; Y1917-K1932 HydrophobicContact CD1-CB 4.39Å; Y1917-K1932 HydrophobicContact CE1-CB 3.91Å; Y1917-K1932 HydrophobicContact CE1-CG 4.05Å; R1930-K1932 PolarHBondContact O-N 3.23Å |
| 1933 | Y | 76.8 | Confident | 61.2 | Low | 101 Ų | 101 | 96.9 Ų | 96.9 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.1 | 176.7 | -65.1 | -88.8 | 0 | 0 | 0 | 110.9 | V1916 L1918 E1931 | V1916-Y1933 PolarHBondContact N-O 2.81Å; V1916-Y1933 PolarHBondContact O-N 2.88Å; L1918-Y1933 HydrophobicContact CD1-CD2 4.13Å; L1918-Y1933 HydrophobicContact CD1-CE2 3.71Å; L1918-Y1933 HydrophobicContact CG-CD2 4.21Å; L1918-Y1933 HydrophobicContact CG-CE2 4.09Å; E1931-Y1933 HydrophobicContact CB-CD2 4.34Å; E1931-Y1933 HydrophobicContact CB-CE2 3.53Å; E1931-Y1933 WeakPolarHBondContact O-CD2 3.5Å; E1931-Y1933 PolarHBondContact OE2-OH 3.41Å |
| 1934 | A | 79.7 | Confident | 60.5 | Low | 89 Ų | 89 | 100.9 Ų | 100.9 | 74% | 0.736 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 140.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1935 | V | 80.4 | Confident | 59.8 | Low | 33 Ų | 33 | 95.6 Ų | 95.6 | 20% | 0.2 | 49% | 0.485 | C | S | . | . | trans | -88 | 126.8 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | P1911 V1914 V1916 H1937 I1938 | P1911-V1935 CarbonylContact C-O 3.49Å; P1911-V1935 HydrophobicContact CB-CG1 4.35Å; P1911-V1935 WeakPolarHBondContact CB-O 3.49Å; V1914-V1935 HydrophobicContact CB-CB 4.22Å; V1914-V1935 HydrophobicContact CB-CG2 4Å; V1914-V1935 HydrophobicContact CG1-CB 4.39Å; V1914-V1935 HydrophobicContact CG1-CG2 3.68Å; V1916-V1935 HydrophobicContact CG2-CG2 3.65Å; V1935-H1937 WeakPolarHBondContact CG1-O 3.4Å; V1935-I1938 HydrophobicContact CG1-CG1 3.89Å | ||
| 1936 | T | 78.9 | Confident | 59.2 | Low | 108 Ų | 108 | 93 Ų | 93 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -88.2 | -36.9 | 178.5 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1937 | H | 79.9 | Confident | 58.7 | Low | 110 Ų | 110 | 96.9 Ų | 96.9 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | trans | -141.7 | 140.6 | -178.3 | -67.5 | 79.9 | 0 | 0 | 0 | 110.8 | V1935 | V1935-H1937 WeakPolarHBondContact CG1-O 3.4Š| ||
| 1938 | I | 76.9 | Confident | 58.3 | Low | 33 Ų | 33 | 94.6 Ų | 94.6 | 17% | 0.169 | 49% | 0.488 | C | S | . | . | trans | -113.1 | 113.1 | 170.1 | -64.2 | 165.1 | 0 | 0 | 0 | 106.7 | V1874 L1908 A1909 P1911 V1914 V1935 P1940 | V1874-I1938 HydrophobicContact CB-CD1 4.49Å; V1874-I1938 HydrophobicContact CB-CG2 4.07Å; V1874-I1938 HydrophobicContact CG1-CG2 4.47Å; V1874-I1938 HydrophobicContact CG2-CG2 3.74Å; L1908-I1938 HydrophobicContact CD1-CG2 4.36Å; L1908-I1938 HydrophobicContact CD2-CG2 4.43Å; A1909-I1938 VanDerWaalsContact O-CD1 3.25Å; A1909-I1938 WeakPolarHBondContact O-CD1 3.41Å; P1911-I1938 HydrophobicContact CB-CD1 4.42Å; P1911-I1938 HydrophobicContact CB-CG1 4.5Å; P1911-I1938 HydrophobicContact CG-CD1 4.25Å; P1911-I1938 HydrophobicContact CG-CG1 4.31Å; V1914-I1938 HydrophobicContact CB-CD1 4.45Å; V1914-I1938 HydrophobicContact CG2-CD1 3.71Å; V1935-I1938 HydrophobicContact CG1-CG1 3.89Å; I1938-P1940 WeakPolarHBondContact O-CD 3.36Å | ||
| 1939 | I | 75.1 | Confident | 57.8 | Low | 73 Ų | 73 | 97.9 Ų | 97.9 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | trans | -103.1 | 106.1 | -179.9 | -46.3 | 168.1 | 0 | 0 | 0 | 107.9 | G1941 W2051 V2055 T2059 | I1939-G1941 PolarHBondContact O-N 2.91Å; I1939-W2051 HydrophobicContact CG2-CZ2 4.34Å; I1939-V2055 HydrophobicContact CB-CG1 4.44Å; I1939-V2055 HydrophobicContact CD1-CG1 3.81Å; I1939-V2055 HydrophobicContact CG2-CG1 3.57Å; I1939-T2059 HydrophobicContact CD1-CG2 3.81Å | ||
| 1940 | P | 65.8 | Low | 57.5 | Low | 61 Ų | 61 | 95.1 Ų | 95.1 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | trans | -65.2 | 132.7 | 175.9 | 29.4 | -35.1 | 0 | 0 | 0 | 108.8 | L1908 I1938 T1942 | L1908-P1940 HydrophobicContact CD1-CB 4.06Å; L1908-P1940 HydrophobicContact CD1-CG 3.78Å; L1908-P1940 HydrophobicContact CD2-CB 4.4Å; I1938-P1940 WeakPolarHBondContact O-CD 3.36Å; P1940-T1942 PolarHBondContact O-N 3.05Å | ||
| 1941 | G | 58.7 | Low | 56.7 | Low | 20 Ų | 20 | 94.3 Ų | 94.3 | 21% | 0.206 | 47% | 0.473 | C | S | . | . | trans | -54.5 | 138.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | I1939 Y1943 | I1939-G1941 PolarHBondContact O-N 2.91Å; G1941-Y1943 PolarHBondContact O-N 2.85Å | ||
| 1942 | T | 50.2 | Low | 55.7 | Low | 87 Ų | 87 | 92 Ų | 92 | 53% | 0.534 | 47% | 0.465 | S | S | . | . | trans | -50.9 | 104.7 | 173.6 | 44 | 0 | 0 | 0 | 0 | 108.4 | P1940 H1944 | P1940-T1942 PolarHBondContact O-N 3.05Å; T1942-H1944 VanDerWaalsContact C-N 3.27Å; T1942-H1944 PolarHBondContact O-N 3.19Å | ||
| 1943 | Y | 40.9 | Very low | 54 | Low | 131 Ų | 131 | 87.4 Ų | 87.4 | 51% | 0.514 | 45% | 0.452 | S | S | . | . | trans | -61.9 | 100.4 | 169.8 | -115.1 | -93.7 | 0 | 0 | 0 | 104.5 | A1871 I1875 G1941 K1945 | A1871-Y1943 HydrophobicContact CB-CD2 4.17Å; A1871-Y1943 HydrophobicContact CB-CE2 3.46Å; A1871-Y1943 VanDerWaalsContact CB-CE2 3.46Å; I1875-Y1943 HydrophobicContact CD1-CD2 4.27Å; I1875-Y1943 HydrophobicContact CD1-CE2 3.37Å; G1941-Y1943 PolarHBondContact O-N 2.85Å; Y1943-K1945 PolarHBondContact O-N 3.19Å | ||
| 1944 | H | 39.5 | Very low | 52.1 | Low | 144 Ų | 144 | 85.7 Ų | 85.7 | 67% | 0.667 | 45% | 0.449 | S | S | * | . | trans | -54.3 | 130.2 | 176.2 | -90.7 | -81.7 | 0 | 0 | 0 | 107.3 | T1942 | T1942-H1944 VanDerWaalsContact C-N 3.27Å; T1942-H1944 PolarHBondContact O-N 3.19Å | ||
| 1945 | K | 38.6 | Very low | 50.1 | Low | 92 Ų | 92 | 84.1 Ų | 84.1 | 40% | 0.4 | 43% | 0.428 | S | S | . | . | trans | -29.5 | 137.9 | -179.3 | -66.4 | 166.8 | -166.8 | 154.4 | 0 | 113.3 | F126 Y1943 N1947 | F126-K1945 HydrophobicContact CB-CD 4.02Å; F126-K1945 VanDerWaalsContact CB-NZ 3.26Å; F126-K1945 HydrophobicContact CD1-CD 4.25Å; F126-K1945 HydrophobicContact CD2-CD 3.71Å; F126-K1945 HydrophobicContact CE2-CD 4.19Å; F126-K1945 HydrophobicContact CG-CD 3.73Å; Y1943-K1945 PolarHBondContact O-N 3.19Å; K1945-N1947 PolarHBondContact O-N 2.04Å | ||
| 1946 | F | 34.1 | Very low | 48.1 | Very low | 115 Ų | 115 | 86.5 Ų | 86.5 | 50% | 0.504 | 44% | 0.44 | S | S | . | . | trans | -49.4 | 110.2 | 169.9 | -73.8 | -89.7 | 0 | 0 | 0 | 110.4 | D1951 | F1946-D1951 WeakPolarHBondContact CA-OD2 3.32Å; F1946-D1951 HydrophobicContact CD1-CB 4.03Å | ||
| 1947 | N | 37.2 | Very low | 46.1 | Very low | 93 Ų | 93 | 83.6 Ų | 83.6 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | trans | -90.8 | 114.4 | 169.2 | -87.3 | -2.6 | 0 | 0 | 0 | 105.9 | K1945 K1949 D1950 D1951 | K1945-N1947 PolarHBondContact O-N 2.04Å; N1947-K1949 PolarHBondContact O-N 3.41Å; N1947-D1950 HydrophobicContact CB-CB 4.17Å; N1947-D1950 PolarHBondContact ND2-OD2 2.92Å; N1947-D1950 PolarHBondContact O-N 2.76Å; N1947-D1951 PolarHBondContact N-OD2 2.94Å; N1947-D1951 PolarHBondContact O-N 2.85Å | ||
| 1948 | E | 37.6 | Very low | 44 | Very low | 146 Ų | 146 | 85 Ų | 85 | 68% | 0.682 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -47.6 | -30.7 | -172.7 | -131.7 | 174.4 | -166 | 0 | 0 | 114.2 | I1952 | E1948-I1952 WeakPolarHBondContact O-CD1 3.39Å; E1948-I1952 WeakPolarHBondContact O-CG1 3.27Å |
| 1949 | K | 36.9 | Very low | 42.1 | Very low | 184 Ų | 184 | 90.4 Ų | 90.4 | 80% | 0.8 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -88.6 | -33.3 | 178 | -79.4 | -174 | 173.5 | -177.8 | 0 | 115 | N1947 | N1947-K1949 PolarHBondContact O-N 3.41Å |
| 1950 | D | 36.3 | Very low | 40.2 | Very low | 50 Ų | 50 | 91.4 Ų | 91.4 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -82.1 | -32.6 | -175.6 | -58.5 | -20.1 | 0 | 0 | 0 | 110.1 | N1947 A1953 I1954 | N1947-D1950 HydrophobicContact CB-CB 4.17Å; N1947-D1950 PolarHBondContact ND2-OD2 2.92Å; N1947-D1950 PolarHBondContact O-N 2.76Å; D1950-A1953 WeakPolarHBondContact O-CB 3.26Å; D1950-A1953 PolarHBondContact O-N 3.33Å; D1950-I1954 PolarHBondContact O-N 3.15Å |
| 1951 | D | 37.2 | Very low | 38.6 | Very low | 34 Ų | 34 | 91.8 Ų | 91.8 | 18% | 0.182 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -87.6 | -25.7 | -179.1 | -64 | -55.6 | 0 | 0 | 0 | 114 | F1946 N1947 A1953 I1954 L1955 | F1946-D1951 WeakPolarHBondContact CA-OD2 3.32Å; F1946-D1951 HydrophobicContact CD1-CB 4.03Å; N1947-D1951 PolarHBondContact N-OD2 2.94Å; N1947-D1951 PolarHBondContact O-N 2.85Å; D1951-A1953 PolarHBondContact O-N 2.89Å; D1951-I1954 PolarHBondContact O-N 3.25Å; D1951-L1955 VanDerWaalsContact O-CB 3.24Å; D1951-L1955 WeakPolarHBondContact O-CB 3.38Å; D1951-L1955 WeakPolarHBondContact O-CG 3.35Å; D1951-L1955 PolarHBondContact O-N 3.31Å |
| 1952 | I | 37.9 | Very low | 37.3 | Very low | 91 Ų | 91 | 96.9 Ų | 96.9 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -34.2 | 165.6 | -71.6 | 174 | 0 | 0 | 0 | 109.2 | E1948 N1956 | E1948-I1952 WeakPolarHBondContact O-CD1 3.39Å; E1948-I1952 WeakPolarHBondContact O-CG1 3.27Å; I1952-N1956 VanDerWaalsContact CG2-ND2 3.3Å; I1952-N1956 WeakPolarHBondContact CG2-ND2 3.39Å; I1952-N1956 WeakPolarHBondContact O-CB 3.49Å; I1952-N1956 PolarHBondContact O-N 3.43Å; I1952-N1956 PolarHBondContact O-ND2 3.01Å |
| 1953 | A | 35.4 | Very low | 36.4 | Very low | 40 Ų | 40 | 96.8 Ų | 96.8 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1950 D1951 L1957 | D1950-A1953 WeakPolarHBondContact O-CB 3.26Å; D1950-A1953 PolarHBondContact O-N 3.33Å; D1951-A1953 PolarHBondContact O-N 2.89Å; A1953-L1957 VanDerWaalsContact O-CB 3.3Å; A1953-L1957 WeakPolarHBondContact O-CB 3.28Å; A1953-L1957 WeakPolarHBondContact O-CD1 3.24Å; A1953-L1957 VanDerWaalsContact O-CG 3.32Å; A1953-L1957 WeakPolarHBondContact O-CG 3.23Å; A1953-L1957 PolarHBondContact O-N 2.87Å |
| 1954 | I | 36.4 | Very low | 35.9 | Very low | 65 Ų | 65 | 100.2 Ų | 100.2 | 33% | 0.333 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 177.3 | -64.9 | 172.8 | 0 | 0 | 0 | 111.7 | D1950 D1951 L1957 F1958 | D1950-I1954 PolarHBondContact O-N 3.15Å; D1951-I1954 PolarHBondContact O-N 3.25Å; I1954-L1957 WeakPolarHBondContact O-CB 3.33Å; I1954-L1957 PolarHBondContact O-N 3.45Å; I1954-F1958 HydrophobicContact CG2-CE2 4.44Å; I1954-F1958 WeakPolarHBondContact O-CD2 3.43Å; I1954-F1958 PolarHBondContact O-N 2.77Å |
| 1955 | L | 37.2 | Very low | 35.8 | Very low | 56 Ų | 56 | 98.6 Ų | 98.6 | 29% | 0.293 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.9 | -39 | 177 | -80.4 | 158.4 | 0 | 0 | 0 | 112 | F1887 D1951 L1957 F1958 | F1887-L1955 HydrophobicContact CZ-CD2 4.28Å; D1951-L1955 VanDerWaalsContact O-CB 3.24Å; D1951-L1955 WeakPolarHBondContact O-CB 3.38Å; D1951-L1955 WeakPolarHBondContact O-CG 3.35Å; D1951-L1955 PolarHBondContact O-N 3.31Å; L1955-L1957 VanDerWaalsContact C-N 3.3Å; L1955-F1958 PolarHBondContact O-N 2.86Å |
| 1956 | N | 38.7 | Very low | 35.5 | Very low | 83 Ų | 83 | 98.8 Ų | 98.8 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.7 | -31.5 | 173.3 | -72.6 | -11.8 | 0 | 0 | 0 | 111.4 | I1952 F1958 Y1959 T1960 | I1952-N1956 VanDerWaalsContact CG2-ND2 3.3Å; I1952-N1956 WeakPolarHBondContact CG2-ND2 3.39Å; I1952-N1956 WeakPolarHBondContact O-CB 3.49Å; I1952-N1956 PolarHBondContact O-N 3.43Å; I1952-N1956 PolarHBondContact O-ND2 3.01Å; N1956-F1958 VanDerWaalsContact C-N 3.33Å; N1956-F1958 PolarHBondContact O-N 3.18Å; N1956-Y1959 WeakPolarHBondContact O-CA 3.37Å; N1956-Y1959 WeakPolarHBondContact O-CB 3.28Å; N1956-Y1959 PolarHBondContact O-N 3.09Å; N1956-T1960 PolarHBondContact O-N 2.81Å |
| 1957 | L | 37.7 | Very low | 35.6 | Very low | 48 Ų | 48 | 98.4 Ų | 98.4 | 25% | 0.251 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 173.3 | -88.1 | 156.9 | 0 | 0 | 0 | 112 | A1953 I1954 L1955 Y1959 T1960 F1986 I2028 | A1953-L1957 VanDerWaalsContact O-CB 3.3Å; A1953-L1957 WeakPolarHBondContact O-CB 3.28Å; A1953-L1957 WeakPolarHBondContact O-CD1 3.24Å; A1953-L1957 VanDerWaalsContact O-CG 3.32Å; A1953-L1957 WeakPolarHBondContact O-CG 3.23Å; A1953-L1957 PolarHBondContact O-N 2.87Å; I1954-L1957 WeakPolarHBondContact O-CB 3.33Å; I1954-L1957 PolarHBondContact O-N 3.45Å; L1955-L1957 VanDerWaalsContact C-N 3.3Å; L1957-Y1959 PolarHBondContact O-N 3.28Å; L1957-T1960 PolarHBondContact O-N 2.95Å; L1957-T1960 PolarHBondContact O-OG1 2.8Å; L1957-F1986 HydrophobicContact CD1-CZ 4.38Å; L1957-I2028 HydrophobicContact CD1-CD1 3.82Å; L1957-I2028 HydrophobicContact CD2-CD1 4.34Å; L1957-I2028 HydrophobicContact CD2-CG1 4.41Å; L1957-I2028 HydrophobicContact CD2-CG2 4.34Å |
| 1958 | F | 36.4 | Very low | 35.5 | Very low | 140 Ų | 140 | 102.7 Ų | 102.7 | 61% | 0.614 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.5 | -24.4 | 170.5 | -89.9 | -77.3 | 0 | 0 | 0 | 113.1 | I1954 L1955 N1956 | I1954-F1958 HydrophobicContact CG2-CE2 4.44Å; I1954-F1958 WeakPolarHBondContact O-CD2 3.43Å; I1954-F1958 PolarHBondContact O-N 2.77Å; L1955-F1958 PolarHBondContact O-N 2.86Å; N1956-F1958 VanDerWaalsContact C-N 3.33Å; N1956-F1958 PolarHBondContact O-N 3.18Å |
| 1959 | Y | 36.1 | Very low | 35.2 | Very low | 146 Ų | 146 | 102 Ų | 102 | 57% | 0.573 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74 | -36.3 | 171.5 | -111.7 | -91.7 | 0 | 0 | 0 | 112.6 | F1887 N1956 L1957 G1961 N1962 | F1887-Y1959 HydrophobicContact CE1-CE2 4.36Å; N1956-Y1959 WeakPolarHBondContact O-CA 3.37Å; N1956-Y1959 WeakPolarHBondContact O-CB 3.28Å; N1956-Y1959 PolarHBondContact O-N 3.09Å; L1957-Y1959 PolarHBondContact O-N 3.28Å; Y1959-G1961 VanDerWaalsContact C-N 3.33Å; Y1959-G1961 PolarHBondContact O-N 3.35Å; Y1959-N1962 PolarHBondContact O-N 3.17Å |
| 1960 | T | 34.4 | Very low | 34.9 | Very low | 94 Ų | 94 | 101.3 Ų | 101.3 | 58% | 0.577 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.6 | -22.3 | -174.1 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | N1956 L1957 N1962 | N1956-T1960 PolarHBondContact O-N 2.81Å; L1957-T1960 PolarHBondContact O-N 2.95Å; L1957-T1960 PolarHBondContact O-OG1 2.8Å; T1960-N1962 PolarHBondContact O-N 2.85Å |
| 1961 | G | 33 | Very low | 34.6 | Very low | 68 Ų | 68 | 107.8 Ų | 107.8 | 70% | 0.701 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -7.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1959 | Y1959-G1961 VanDerWaalsContact C-N 3.33Å; Y1959-G1961 PolarHBondContact O-N 3.35Å |
| 1962 | N | 31 | Very low | 34 | Very low | 127 Ų | 127 | 112.5 Ų | 112.5 | 68% | 0.679 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -107.8 | 40.3 | -168.8 | -110.7 | -0.8 | 0 | 0 | 0 | 113.8 | Y1959 T1960 R1964 | Y1959-N1962 PolarHBondContact O-N 3.17Å; T1960-N1962 PolarHBondContact O-N 2.85Å; N1962-R1964 WeakPolarHBondContact O-CB 3.31Å; N1962-R1964 WeakPolarHBondContact O-CG 3.46Å; N1962-R1964 PolarHBondContact O-N 2.61Å |
| 1963 | G | 32 | Very low | 33.4 | Very low | 85 Ų | 85 | 117.9 Ų | 117.9 | 88% | 0.876 | 62% | 0.623 | S | S | * | * | trans | 45.5 | 28.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1964 | R | 30.9 | Very low | 32.9 | Very low | 204 Ų | 204 | 122.1 Ų | 122.1 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | trans | -116.6 | 146.2 | -176.1 | -79.8 | -174.7 | -172 | -165.6 | 3.1 | 111 | N1962 | N1962-R1964 WeakPolarHBondContact O-CB 3.31Å; N1962-R1964 WeakPolarHBondContact O-CG 3.46Å; N1962-R1964 PolarHBondContact O-N 2.61Å | ||
| 1965 | N | 36.9 | Very low | 32.4 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | trans | -49.6 | 130.5 | -159.1 | -160.9 | 23.6 | 0 | 0 | 0 | 113.8 | D1967 | N1965-D1967 PolarHBondContact ND2-OD2 3.39Å; N1965-D1967 PolarHBondContact O-N 3.47Å | ||
| 1966 | P | 31.7 | Very low | 31.7 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 62% | 0.623 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -57.6 | -16.9 | -178.7 | -26.1 | 34.4 | 0 | 0 | 0 | 115.9 | E1968 L1969 | P1966-E1968 VanDerWaalsContact C-N 3.28Å; P1966-E1968 PolarHBondContact O-N 3.01Å; P1966-L1969 PolarHBondContact O-N 2.98Å |
| 1967 | D | 37.6 | Very low | 31 | Very low | 106 Ų | 106 | 135 Ų | 135 | 57% | 0.567 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -67.8 | -23 | -174.5 | -62.6 | -37.9 | 0 | 0 | 0 | 113.9 | N1965 L1969 | N1965-D1967 PolarHBondContact ND2-OD2 3.39Å; N1965-D1967 PolarHBondContact O-N 3.47Å; D1967-L1969 VanDerWaalsContact C-N 3.25Å; D1967-L1969 PolarHBondContact O-N 3.07Å |
| 1968 | E | 34.5 | Very low | 30.6 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -77.6 | -6.1 | 177.3 | -72.9 | -169.5 | 164.7 | 0 | 0 | 113.8 | P1966 | P1966-E1968 VanDerWaalsContact C-N 3.28Å; P1966-E1968 PolarHBondContact O-N 3.01Å |
| 1969 | L | 31.7 | Very low | 30.2 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -89.7 | -3.7 | -179.5 | -78.9 | 160.2 | 0 | 0 | 0 | 114.4 | P1966 D1967 Q1971 | P1966-L1969 PolarHBondContact O-N 2.98Å; D1967-L1969 VanDerWaalsContact C-N 3.25Å; D1967-L1969 PolarHBondContact O-N 3.07Å; L1969-Q1971 PolarHBondContact O-N 3.03Å |
| 1970 | Q | 30.8 | Very low | 29.6 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -3.8 | -176 | -78.3 | -170.1 | 3.7 | 0 | 0 | 115.7 | ||
| 1971 | Q | 29 | Very low | 29.4 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 4 | -178.5 | -79.3 | -170.7 | -9.1 | 0 | 0 | 116.2 | L1969 | L1969-Q1971 PolarHBondContact O-N 3.03Š|
| 1972 | L | 24.8 | Very low | 29.1 | Very low | 134 Ų | 134 | 139 Ų | 139 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -117.9 | 103.9 | 170.2 | -95.2 | 94.6 | 0 | 0 | 0 | 112 | V1974 | L1972-V1974 PolarHBondContact O-N 2.9Š|
| 1973 | E | 24.8 | Very low | 29.1 | Very low | 204 Ų | 204 | 139 Ų | 139 | 95% | 0.953 | 75% | 0.749 | S | S | * | * | trans | -57.7 | 98.7 | 171 | -78.7 | -178.1 | 134.8 | 0 | 0 | 111.4 | ||||
| 1974 | V | 25.6 | Very low | 29 | Very low | 128 Ų | 128 | 140.7 Ų | 140.7 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -101 | 105 | 157.7 | -178.1 | 0 | 0 | 0 | 0 | 106.5 | L1972 L1976 | L1972-V1974 PolarHBondContact O-N 2.9Å; V1974-L1976 PolarHBondContact O-N 2.75Å | ||
| 1975 | S | 25.9 | Very low | 29.3 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | -67.3 | 116.7 | -172.2 | 34.8 | 0 | 0 | 0 | 0 | 112.4 | Y1977 | S1975-Y1977 PolarHBondContact O-N 2.84Š| ||
| 1976 | L | 23.3 | Very low | 29.2 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | trans | -69.9 | 106.5 | 176.7 | -71.1 | 149.5 | 0 | 0 | 0 | 110.6 | V1974 | V1974-L1976 PolarHBondContact O-N 2.75Š| ||
| 1977 | Y | 23.7 | Very low | 29.6 | Very low | 211 Ų | 211 | 129 Ų | 129 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | trans | -98.8 | 107.7 | 168.3 | -116.8 | -92.8 | 0 | 0 | 0 | 110.3 | S1975 G1979 | S1975-Y1977 PolarHBondContact O-N 2.84Å; Y1977-G1979 PolarHBondContact O-N 2.81Å | ||
| 1978 | G | 29.4 | Very low | 30 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 30.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | K1980 | G1978-K1980 PolarHBondContact O-N 3.44Å; G1978-K1980 VanDerWaalsContact O-N 3.15Å |
| 1979 | G | 26.9 | Very low | 30.9 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 84% | 0.835 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71 | 8.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1977 | Y1977-G1979 PolarHBondContact O-N 2.81Š|
| 1980 | K | 24 | Very low | 32.1 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 74% | 0.735 | 68% | 0.679 | S | S | * | * | trans | -121.4 | 110.6 | 170.7 | -77.1 | -177.4 | 176.7 | 177.5 | 0 | 109.3 | G1978 L1982 | G1978-K1980 PolarHBondContact O-N 3.44Å; G1978-K1980 VanDerWaalsContact O-N 3.15Å; K1980-L1982 PolarHBondContact O-N 3.09Å | ||
| 1981 | V | 30.2 | Very low | 33.6 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 65% | 0.648 | 65% | 0.651 | S | S | * | * | trans | -67.6 | 98.1 | 169.1 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | Y1983 | V1981-Y1983 HydrophobicContact CG1-CD2 3.96Å; V1981-Y1983 HydrophobicContact CG1-CE2 3.9Å; V1981-Y1983 PolarHBondContact O-N 3.43Å | ||
| 1982 | L | 26.3 | Very low | 35.2 | Very low | 148 Ų | 148 | 114 Ų | 114 | 78% | 0.775 | 62% | 0.623 | S | S | * | * | trans | -79.9 | 101.7 | 170.7 | -77 | 163.5 | 0 | 0 | 0 | 108.1 | K1980 S1984 | K1980-L1982 PolarHBondContact O-N 3.09Å; L1982-S1984 PolarHBondContact O-N 3.15Å | ||
| 1983 | Y | 30.2 | Very low | 37.2 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 49% | 0.494 | 61% | 0.607 | S | S | . | * | trans | -65.2 | 85.2 | 165.8 | -89.5 | -97.8 | 0 | 0 | 0 | 109.1 | V1981 V2030 | V1981-Y1983 HydrophobicContact CG1-CD2 3.96Å; V1981-Y1983 HydrophobicContact CG1-CE2 3.9Å; V1981-Y1983 PolarHBondContact O-N 3.43Å; Y1983-V2030 HydrophobicContact CD2-CG1 4.27Å; Y1983-V2030 HydrophobicContact CE2-CB 4.42Å; Y1983-V2030 HydrophobicContact CE2-CG1 3.49Å; Y1983-V2030 VanDerWaalsContact CE2-CG1 3.49Å; Y1983-V2030 HydrophobicContact CE2-CG2 4.05Å | ||
| 1984 | S | 31.1 | Very low | 38.8 | Very low | 121 Ų | 121 | 105.8 Ų | 105.8 | 85% | 0.846 | 58% | 0.581 | S | S | * | * | trans | -90.3 | 9.2 | -176.4 | 63 | 0 | 0 | 0 | 0 | 114.3 | L1982 | L1982-S1984 PolarHBondContact O-N 3.15Š| ||
| 1985 | G | 36 | Very low | 40.2 | Very low | 29 Ų | 29 | 104.9 Ų | 104.9 | 30% | 0.299 | 56% | 0.563 | S | S | . | * | trans | -101.2 | -23.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1987 | G1985-N1987 PolarHBondContact O-N 2.92Å; G1985-N1987 VanDerWaalsContact O-N 3.14Å | ||
| 1986 | F | 35.9 | Very low | 41 | Very low | 52 Ų | 52 | 101.1 Ų | 101.1 | 23% | 0.228 | 53% | 0.533 | C | S | . | . | S | Bend | trans | -77.6 | 112.1 | 178.9 | -82 | -74.9 | 0 | 0 | 0 | 110.2 | L1957 K1988 F2026 I2028 | L1957-F1986 HydrophobicContact CD1-CZ 4.38Å; F1986-K1988 VanDerWaalsContact C-N 3.3Å; F1986-K1988 PolarHBondContact O-N 3.06Å; F1986-F2026 HydrophobicContact CD1-CZ 4.43Å; F1986-F2026 HydrophobicContact CE1-CE1 4.29Å; F1986-F2026 HydrophobicContact CE1-CE2 4.38Å; F1986-F2026 AromaticContact CE1-CZ 3.5Å; F1986-F2026 HydrophobicContact CE1-CZ 3.5Å; F1986-F2026 VanDerWaalsContact CE1-CZ 3.5Å; F1986-F2026 HydrophobicContact CZ-CE2 4.13Å; F1986-F2026 AromaticContact CZ-CZ 3.65Å; F1986-F2026 HydrophobicContact CZ-CZ 3.65Å; F1986-I2028 HydrophobicContact CE2-CD1 3.83Å; F1986-I2028 HydrophobicContact CZ-CD1 3.94Å |
| 1987 | N | 40 | Very low | 42.3 | Very low | 83 Ų | 83 | 98.6 Ų | 98.6 | 44% | 0.444 | 52% | 0.521 | S | S | . | . | trans | -60.3 | 93.9 | 170.5 | -174.2 | 2.8 | 0 | 0 | 0 | 109.7 | G1985 K1989 N1990 T1991 | G1985-N1987 PolarHBondContact O-N 2.92Å; G1985-N1987 VanDerWaalsContact O-N 3.14Å; N1987-K1989 PolarHBondContact O-N 2.9Å; N1987-K1989 WeakPolarHBondContact OD1-CB 3.4Å; N1987-K1989 VanDerWaalsContact OD1-CG 3.27Å; N1987-K1989 WeakPolarHBondContact OD1-CG 3.43Å; N1987-K1989 PolarHBondContact OD1-N 2.93Å; N1987-N1990 PolarHBondContact O-N 2.73Å; N1987-T1991 PolarHBondContact O-OG1 3.1Å | ||
| 1988 | K | 45.7 | Very low | 43.5 | Very low | 167 Ų | 167 | 95.9 Ų | 95.9 | 73% | 0.726 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -14 | 173.6 | -80.1 | -175.8 | 174.7 | 179.3 | 0 | 113.2 | F1986 N1990 | F1986-K1988 VanDerWaalsContact C-N 3.3Å; F1986-K1988 PolarHBondContact O-N 3.06Å; K1988-N1990 VanDerWaalsContact C-N 3.29Å; K1988-N1990 PolarHBondContact O-N 3.1Å |
| 1989 | K | 53 | Low | 44.1 | Very low | 156 Ų | 156 | 92.9 Ų | 92.9 | 68% | 0.678 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.5 | -176.3 | -66.3 | -176.7 | 174.3 | -179.1 | 0 | 114.3 | N1987 K2047 | N1987-K1989 PolarHBondContact O-N 2.9Å; N1987-K1989 WeakPolarHBondContact OD1-CB 3.4Å; N1987-K1989 VanDerWaalsContact OD1-CG 3.27Å; N1987-K1989 WeakPolarHBondContact OD1-CG 3.43Å; N1987-K1989 PolarHBondContact OD1-N 2.93Å; K1989-K2047 WeakPolarHBondContact O-CE 3.25Å; K1989-K2047 PolarHBondContact O-NZ 2.85Å |
| 1990 | N | 57.1 | Low | 45 | Very low | 52 Ų | 52 | 89.2 Ų | 89.2 | 28% | 0.278 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -121.8 | 0.4 | -173.4 | -63.8 | -4.9 | 0 | 0 | 0 | 114.3 | N1987 K1988 E2044 | N1987-N1990 PolarHBondContact O-N 2.73Å; K1988-N1990 VanDerWaalsContact C-N 3.29Å; K1988-N1990 PolarHBondContact O-N 3.1Å; N1990-E2044 PolarHBondContact O-N 3.11Å; N1990-E2044 VanDerWaalsContact O-N 3.07Å |
| 1991 | T | 62.8 | Low | 46.3 | Very low | 31 Ų | 31 | 82 Ų | 82 | 19% | 0.19 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 144.5 | -175.9 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | N1987 H1993 V2041 F2042 | N1987-T1991 PolarHBondContact O-OG1 3.1Å; T1991-H1993 PolarHBondContact OG1-NE2 3.27Å; T1991-V2041 HydrophobicContact CG2-CG1 3.94Å; T1991-F2042 CarbonylContact C-O 3.51Å; T1991-F2042 WeakPolarHBondContact CA-O 3.28Å; T1991-F2042 WeakPolarHBondContact CB-O 3.49Å |
| 1992 | L | 63.4 | Low | 47.3 | Very low | 56 Ų | 56 | 78.4 Ų | 78.4 | 29% | 0.293 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.4 | 169.7 | -56.3 | 168.6 | 0 | 0 | 0 | 107.9 | L2010 F2042 E2044 | L1992-L2010 HydrophobicContact CD1-CD2 4.09Å; L1992-F2042 HydrophobicContact CB-CB 4.22Å; L1992-F2042 PolarHBondContact N-O 2.82Å; L1992-F2042 PolarHBondContact O-N 3.19Å; L1992-E2044 HydrophobicContact CD1-CB 4.39Å; L1992-E2044 HydrophobicContact CD1-CG 4.17Å; L1992-E2044 HydrophobicContact CD2-CB 4.46Å; L1992-E2044 HydrophobicContact CD2-CG 4.08Å; L1992-E2044 HydrophobicContact CG-CB 4.02Å; L1992-E2044 HydrophobicContact CG-CG 4.04Å |
| 1993 | H | 66.7 | Low | 48.5 | Very low | 77 Ų | 77 | 79.5 Ų | 79.5 | 36% | 0.356 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139.5 | -178.5 | -57.5 | 177.1 | 0 | 0 | 0 | 108.9 | T1991 S2040 | T1991-H1993 PolarHBondContact OG1-NE2 3.27Å; H1993-S2040 WeakPolarHBondContact CA-O 3.46Å |
| 1994 | H | 58 | Low | 49.6 | Very low | 87 Ų | 87 | 74.6 Ų | 74.6 | 40% | 0.403 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.6 | 173.7 | -165.4 | 33.2 | 0 | 0 | 0 | 110.3 | E1998 F2039 S2040 F2042 | H1994-E1998 IonicContact CE1-OE2 3.81Å; H1994-E1998 IonicContact NE2-OE2 3.22Å; H1994-F2039 WeakPolarHBondContact O-CA 2.88Å; H1994-S2040 PolarHBondContact N-O 3.4Å; H1994-S2040 PolarHBondContact O-N 2.85Å; H1994-F2042 HydrophobicContact CB-CE2 3.99Å |
| 1995 | R | 53.8 | Low | 51.1 | Low | 110 Ų | 110 | 70.3 Ų | 70.3 | 42% | 0.415 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.5 | -175 | -147.1 | -175 | -155.8 | -159.9 | 10.1 | 109 | D1997 E2037 F2039 | R1995-D1997 VanDerWaalsContact C-N 3.27Å; R1995-D1997 IonicContact NH1-OD2 3.56Å; R1995-D1997 PolarHBondContact O-N 3.18Å; R1995-E2037 IonicContact CZ-OE1 2.7Å; R1995-E2037 IonicContact CZ-OE2 2.77Å; R1995-E2037 IonicContact NE-OE2 3.83Å; R1995-E2037 PolarHBondContact NE-OE2 3.13Å; R1995-E2037 IonicContact NH2-OE1 2.65Å; R1995-E2037 PolarHBondContact NH2-OE1 2.68Å; R1995-E2037 IonicContact NH2-OE2 3.41Å; R1995-E2037 PolarHBondContact NH2-OE2 3.3Å; R1995-F2039 HydrophobicContact CB-CE1 4.46Å; R1995-F2039 HydrophobicContact CG-CD1 4.34Å; R1995-F2039 HydrophobicContact CG-CE1 3.92Å; R1995-F2039 HydrophobicContact CG-CZ 4.49Å |
| 1996 | K | 44.5 | Very low | 52.8 | Low | 27 Ų | 27 | 70.3 Ų | 70.3 | 12% | 0.117 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -76 | -6 | -168.2 | -139.2 | -172.4 | -176.6 | 178 | 0 | 115.5 | E1998 G1999 G2000 E2038 | K1996-E1998 PolarHBondContact O-N 3.07Å; K1996-G1999 WeakPolarHBondContact O-CA 3.18Å; K1996-G1999 PolarHBondContact O-N 3.48Å; K1996-G2000 VanDerWaalsContact CE-CA 3.49Å; K1996-E2038 HydrophobicContact CB-CB 3.78Å; K1996-E2038 WeakPolarHBondContact CB-O 3.47Å; K1996-E2038 HydrophobicContact CD-CB 3.65Å; K1996-E2038 HydrophobicContact CD-CG 4.44Å; K1996-E2038 WeakPolarHBondContact CD-OE2 3.25Å; K1996-E2038 WeakPolarHBondContact CE-OE2 3.12Å; K1996-E2038 HydrophobicContact CG-CB 4.37Å; K1996-E2038 PolarHBondContact N-O 2.89Å; K1996-E2038 IonicContact NZ-OE2 2.75Å; K1996-E2038 PolarHBondContact NZ-OE2 3.47Å |
| 1997 | D | 50.2 | Low | 54.7 | Low | 103 Ų | 103 | 67.8 Ų | 67.8 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -55.9 | -18.1 | 176.3 | -42.4 | -7.7 | 0 | 0 | 0 | 111.9 | R1995 | R1995-D1997 VanDerWaalsContact C-N 3.27Å; R1995-D1997 IonicContact NH1-OD2 3.56Å; R1995-D1997 PolarHBondContact O-N 3.18Å |
| 1998 | E | 48.4 | Very low | 56.7 | Low | 154 Ų | 154 | 64 Ų | 64 | 72% | 0.72 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -109.4 | 2 | 174.1 | -62 | -176 | 174.9 | 0 | 0 | 114.2 | H1994 K1996 | H1994-E1998 IonicContact CE1-OE2 3.81Å; H1994-E1998 IonicContact NE2-OE2 3.22Å; K1996-E1998 PolarHBondContact O-N 3.07Å |
| 1999 | G | 42.9 | Very low | 58.6 | Low | 15 Ų | 15 | 57.1 Ų | 57.1 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | trans | 124.6 | 153.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1824 K1996 | V1824-G1999 CarbonylContact O-C 3.47Å; V1824-G1999 WeakPolarHBondContact O-CA 3.44Å; K1996-G1999 WeakPolarHBondContact O-CA 3.18Å; K1996-G1999 PolarHBondContact O-N 3.48Å | ||
| 2000 | G | 44.3 | Very low | 59.9 | Low | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -145.3 | 152 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1823 V1824 K1996 | I1823-G2000 WeakPolarHBondContact CG2-O 3.39Å; V1824-G2000 PolarHBondContact N-O 2.97Å; V1824-G2000 VanDerWaalsContact N-O 3.12Å; V1824-G2000 PolarHBondContact O-N 2.95Å; K1996-G2000 VanDerWaalsContact CE-CA 3.49Å |
| 2001 | S | 52 | Low | 60.8 | Low | 18 Ų | 18 | 51.1 Ų | 51.1 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | trans | -67.5 | 135.5 | -180 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | D2005 S2027 S2040 | S2001-D2005 WeakPolarHBondContact CA-OD2 3.36Å; S2001-S2027 PolarHBondContact O-OG 2.85Å; S2001-S2027 PolarHBondContact OG-OG 3.02Å; S2001-S2040 PolarHBondContact N-OG 2.88Å; S2001-S2040 PolarHBondContact OG-OG 3.05Å | ||
| 2002 | A | 51.9 | Low | 61.4 | Low | 32 Ų | 32 | 52.1 Ų | 52.1 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | trans | -108.3 | -178.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1822 G2004 D2005 | R1822-A2002 VanDerWaalsContact O-CB 3.26Å; R1822-A2002 WeakPolarHBondContact O-CB 3.47Å; A2002-G2004 PolarHBondContact O-N 2.96Å; A2002-D2005 PolarHBondContact N-OD2 3.24Å; A2002-D2005 WeakPolarHBondContact O-CB 3.2Å; A2002-D2005 PolarHBondContact O-N 3.49Å; A2002-D2005 VanDerWaalsContact O-N 3.11Å | ||
| 2003 | E | 50.5 | Low | 61.6 | Low | 171 Ų | 171 | 54.3 Ų | 54.3 | 80% | 0.799 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 121.8 | 175.1 | -77 | -165.6 | 152.5 | 0 | 0 | 112.4 | R1822 | R1822-E2003 PolarHBondContact NE-O 3.14Å; R1822-E2003 PolarHBondContact NH2-O 3.26Å |
| 2004 | G | 52.7 | Low | 61.1 | Low | 23 Ų | 23 | 56 Ų | 56 | 24% | 0.237 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 107.8 | -13.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1852 A2002 | G1852-G2004 PolarHBondContact N-O 3.22Å; A2002-G2004 PolarHBondContact O-N 2.96Å |
| 2005 | D | 62.8 | Low | 60.9 | Low | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.16 | 32% | 0.315 | C | S | . | . | trans | -85.5 | -17.3 | -179.3 | -62.7 | -23 | 0 | 0 | 0 | 112.9 | S2001 A2002 G2007 G2008 I2024 | S2001-D2005 WeakPolarHBondContact CA-OD2 3.36Å; A2002-D2005 PolarHBondContact N-OD2 3.24Å; A2002-D2005 WeakPolarHBondContact O-CB 3.2Å; A2002-D2005 PolarHBondContact O-N 3.49Å; A2002-D2005 VanDerWaalsContact O-N 3.11Å; D2005-G2007 PolarHBondContact O-N 2.73Å; D2005-G2008 PolarHBondContact O-N 2.72Å; D2005-I2024 HydrophobicContact CB-CD1 4.1Å; D2005-I2024 WeakPolarHBondContact O-CB 3.4Å; D2005-I2024 WeakPolarHBondContact O-CD1 3.16Å | ||
| 2006 | S | 71.7 | Confident | 61 | Low | 29 Ų | 29 | 57.9 Ų | 57.9 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 130.7 | 175.9 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | C1851 G1852 H1872 G2008 | C1851-S2006 WeakPolarHBondContact CB-O 3.45Å; G1852-S2006 PolarHBondContact N-O 3.14Å; H1872-S2006 VanDerWaalsContact NE2-CB 3.32Å; H1872-S2006 WeakPolarHBondContact NE2-CB 3.43Å; S2006-G2008 VanDerWaalsContact C-N 3.32Å |
| 2007 | G | 76.8 | Confident | 61.6 | Low | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -9.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G1852 G1853 T1869 D2005 I2024 | G1852-G2007 VanDerWaalsContact C-C 3.44Å; G1852-G2007 CarbonylContact C-O 3.55Å; G1852-G2007 CarbonylContact O-C 3.53Å; G1852-G2007 VanDerWaalsContact O-C 3.23Å; G1852-G2007 WeakPolarHBondContact O-CA 3.1Å; G1853-G2007 WeakPolarHBondContact CA-O 3.31Å; T1869-G2007 WeakPolarHBondContact OG1-CA 3.32Å; D2005-G2007 PolarHBondContact O-N 2.73Å; G2007-I2024 PolarHBondContact N-O 3.16Å |
| 2008 | G | 82.2 | Confident | 62.6 | Low | 3 Ų | 3 | 61.9 Ų | 61.9 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | trans | -69.2 | 159.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D2005 S2006 I2023 I2024 | D2005-G2008 PolarHBondContact O-N 2.72Å; S2006-G2008 VanDerWaalsContact C-N 3.32Å; G2008-I2023 WeakPolarHBondContact O-CA 3.28Å; G2008-I2024 PolarHBondContact O-N 3.33Å | ||
| 2009 | P | 84.2 | Confident | 63.9 | Low | 22 Ų | 22 | 57.5 Ų | 57.5 | 14% | 0.143 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 139.8 | -178.4 | 28.8 | -32.1 | 0 | 0 | 0 | 113.9 | Q1837 L2020 | Q1837-P2009 VanDerWaalsContact OE1-CG 3.25Å; P2009-L2020 HydrophobicContact CB-CD1 3.32Å |
| 2010 | L | 81.1 | Confident | 65.8 | Low | 51 Ų | 51 | 58.7 Ų | 58.7 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 94.7 | 155 | 178.7 | 68.5 | 0 | 0 | 0 | 108.3 | L1992 Y2021 G2022 F2042 | L1992-L2010 HydrophobicContact CD1-CD2 4.09Å; L2010-Y2021 PolarHBondContact O-N 2.91Å; L2010-G2022 PolarHBondContact N-O 3.37Å; L2010-G2022 PolarHBondContact O-N 2.88Å; L2010-F2042 HydrophobicContact CB-CD1 3.81Å; L2010-F2042 HydrophobicContact CB-CE1 4.02Å; L2010-F2042 HydrophobicContact CD1-CE1 4.13Å; L2010-F2042 HydrophobicContact CD1-CZ 4.39Å; L2010-F2042 HydrophobicContact CD2-CD1 4.13Å; L2010-F2042 HydrophobicContact CD2-CD2 4.44Å; L2010-F2042 HydrophobicContact CD2-CE1 4.41Å; L2010-F2042 HydrophobicContact CD2-CG 4.14Å; L2010-F2042 HydrophobicContact CG-CD1 4.4Å; L2010-F2042 HydrophobicContact CG-CE1 4.42Å |
| 2011 | A | 76.4 | Confident | 67.5 | Low | 31 Ų | 31 | 62.5 Ų | 62.5 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | W1836 F2018 V2019 | W1836-A2011 HydrophobicContact CZ2-CB 4.41Å; A2011-F2018 HydrophobicContact CB-CD1 4.33Å; A2011-V2019 WeakPolarHBondContact CA-O 3.42Å |
| 2012 | C | 74.4 | Confident | 68.9 | Low | 52 Ų | 52 | 61.6 Ų | 61.6 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 139.6 | 179.7 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | K2014 F2018 V2019 Y2021 | C2012-K2014 PolarHBondContact O-N 3.16Å; C2012-F2018 WeakPolarHBondContact O-CA 3.49Å; C2012-V2019 PolarHBondContact N-O 2.96Å; C2012-V2019 PolarHBondContact O-N 3.15Å; C2012-Y2021 HydrophobicContact CB-CD2 3.64Å; C2012-Y2021 HydrophobicContact CB-CE2 3.8Å |
| 2013 | L | 67.4 | Low | 70.3 | Confident | 103 Ų | 103 | 60.4 Ų | 60.4 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 117.5 | 174.6 | -171.8 | 70.5 | 0 | 0 | 0 | 110 | K2017 F2018 | L2013-K2017 WeakPolarHBondContact CA-O 3.38Å; L2013-F2018 HydrophobicContact CB-CD1 4.38Å; L2013-F2018 HydrophobicContact CB-CE1 4.08Å; L2013-F2018 HydrophobicContact CB-CZ 4.23Å; L2013-F2018 HydrophobicContact CD1-CD2 3.83Å; L2013-F2018 HydrophobicContact CD1-CE2 3.69Å; L2013-F2018 HydrophobicContact CD1-CG 4.32Å; L2013-F2018 HydrophobicContact CD1-CZ 4.07Å |
| 2014 | K | 57.2 | Low | 71.5 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 48% | 0.483 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127.7 | 174.1 | -178.2 | 176.9 | 174.3 | -174.7 | 0 | 109.3 | C2012 N2016 K2017 V2019 Y2021 | C2012-K2014 PolarHBondContact O-N 3.16Å; K2014-N2016 VanDerWaalsContact C-N 3.26Å; K2014-N2016 PolarHBondContact O-N 2.9Å; K2014-K2017 PolarHBondContact N-O 2.88Å; K2014-K2017 PolarHBondContact O-N 3.49Å; K2014-V2019 HydrophobicContact CB-CG2 4.38Å; K2014-Y2021 WeakPolarHBondContact CD-OH 3.4Å |
| 2015 | D | 54.3 | Low | 72.2 | Confident | 143 Ų | 143 | 53.3 Ų | 53.3 | 77% | 0.765 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 42 | -178.3 | -53.5 | -42.4 | 0 | 0 | 0 | 113 | K2017 | D2015-K2017 PolarHBondContact O-N 2.82Š|
| 2016 | N | 55.3 | Low | 72.1 | Confident | 94 Ų | 94 | 54.7 Ų | 54.7 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 19.5 | -173.7 | -77.1 | -11.4 | 0 | 0 | 0 | 115.5 | K2014 | K2014-N2016 VanDerWaalsContact C-N 3.26Å; K2014-N2016 PolarHBondContact O-N 2.9Å |
| 2017 | K | 57.5 | Low | 71.2 | Confident | 153 Ų | 153 | 55.3 Ų | 55.3 | 67% | 0.665 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140 | 171.5 | -64 | -177.5 | -179.8 | -177.2 | 0 | 110.6 | L2013 K2014 D2015 | L2013-K2017 WeakPolarHBondContact CA-O 3.38Å; K2014-K2017 PolarHBondContact N-O 2.88Å; K2014-K2017 PolarHBondContact O-N 3.49Å; D2015-K2017 PolarHBondContact O-N 2.82Å |
| 2018 | F | 71.5 | Confident | 69.9 | Low | 62 Ų | 62 | 56.2 Ų | 56.2 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.1 | 171.2 | -77.5 | -88.5 | 0 | 0 | 0 | 109.7 | P1809 P1813 W1836 A2011 C2012 L2013 | P1809-F2018 HydrophobicContact CG-CD2 4.45Å; P1809-F2018 HydrophobicContact CG-CE2 3.94Å; P1813-F2018 HydrophobicContact CG-CZ 4.06Å; W1836-F2018 HydrophobicContact CH2-CB 3.57Å; W1836-F2018 HydrophobicContact CH2-CD1 4.16Å; W1836-F2018 AromaticContact CH2-CD2 3.55Å; W1836-F2018 HydrophobicContact CH2-CD2 3.55Å; W1836-F2018 HydrophobicContact CH2-CE2 4.26Å; W1836-F2018 AromaticContact CH2-CG 3.48Å; W1836-F2018 HydrophobicContact CH2-CG 3.48Å; W1836-F2018 VanDerWaalsContact CH2-CG 3.48Å; W1836-F2018 HydrophobicContact CZ2-CB 3.9Å; W1836-F2018 HydrophobicContact CZ2-CD1 4.09Å; W1836-F2018 HydrophobicContact CZ2-CD2 4.3Å; W1836-F2018 AromaticContact CZ2-CG 3.84Å; W1836-F2018 HydrophobicContact CZ2-CG 3.84Å; W1836-F2018 HydrophobicContact CZ3-CB 4.1Å; W1836-F2018 HydrophobicContact CZ3-CD2 4.36Å; W1836-F2018 HydrophobicContact CZ3-CG 4.4Å; A2011-F2018 HydrophobicContact CB-CD1 4.33Å; C2012-F2018 WeakPolarHBondContact O-CA 3.49Å; L2013-F2018 HydrophobicContact CB-CD1 4.38Å; L2013-F2018 HydrophobicContact CB-CE1 4.08Å; L2013-F2018 HydrophobicContact CB-CZ 4.23Å; L2013-F2018 HydrophobicContact CD1-CD2 3.83Å; L2013-F2018 HydrophobicContact CD1-CE2 3.69Å; L2013-F2018 HydrophobicContact CD1-CG 4.32Å; L2013-F2018 HydrophobicContact CD1-CZ 4.07Å |
| 2019 | V | 75.7 | Confident | 68 | Low | 61 Ų | 61 | 60.6 Ų | 60.6 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133 | -179.2 | -177.8 | 0 | 0 | 0 | 0 | 109 | A2011 C2012 K2014 Y2021 | A2011-V2019 WeakPolarHBondContact CA-O 3.42Å; C2012-V2019 PolarHBondContact N-O 2.96Å; C2012-V2019 PolarHBondContact O-N 3.15Å; K2014-V2019 HydrophobicContact CB-CG2 4.38Å; V2019-Y2021 HydrophobicContact CB-CD2 4.39Å; V2019-Y2021 HydrophobicContact CB-CE2 3.9Å; V2019-Y2021 HydrophobicContact CG1-CD2 4.44Å; V2019-Y2021 HydrophobicContact CG1-CE2 4.04Å; V2019-Y2021 VanDerWaalsContact O-CD2 3.28Å; V2019-Y2021 WeakPolarHBondContact O-CD2 3.33Å; V2019-Y2021 PolarHBondContact O-N 2.62Å |
| 2020 | L | 81.2 | Confident | 65.9 | Low | 41 Ų | 41 | 61 Ų | 61 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 114.8 | 178.8 | -176 | 66.4 | 0 | 0 | 0 | 110.8 | I1856 L1868 P2009 G2022 I2023 V2045 | I1856-L2020 HydrophobicContact CG2-CD2 3.91Å; L1868-L2020 HydrophobicContact CD2-CD2 4.1Å; P2009-L2020 HydrophobicContact CB-CD1 3.32Å; L2020-G2022 WeakPolarHBondContact CD1-O 3.49Å; L2020-I2023 HydrophobicContact CD1-CD1 4.36Å; L2020-I2023 HydrophobicContact CD2-CD1 4.25Å; L2020-V2045 HydrophobicContact CD2-CG2 4.31Å; L2020-V2045 HydrophobicContact CG-CG2 4.18Å |
| 2021 | Y | 79.9 | Confident | 63.7 | Low | 82 Ų | 82 | 64 Ų | 64 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -30.4 | 180 | -82.4 | -86.2 | 0 | 0 | 0 | 113.3 | L2010 C2012 K2014 V2019 V2045 | L2010-Y2021 PolarHBondContact O-N 2.91Å; C2012-Y2021 HydrophobicContact CB-CD2 3.64Å; C2012-Y2021 HydrophobicContact CB-CE2 3.8Å; K2014-Y2021 WeakPolarHBondContact CD-OH 3.4Å; V2019-Y2021 HydrophobicContact CB-CD2 4.39Å; V2019-Y2021 HydrophobicContact CB-CE2 3.9Å; V2019-Y2021 HydrophobicContact CG1-CD2 4.44Å; V2019-Y2021 HydrophobicContact CG1-CE2 4.04Å; V2019-Y2021 VanDerWaalsContact O-CD2 3.28Å; V2019-Y2021 WeakPolarHBondContact O-CD2 3.33Å; V2019-Y2021 PolarHBondContact O-N 2.62Å; Y2021-V2045 PolarHBondContact O-N 3.27Å |
| 2022 | G | 81.6 | Confident | 61.7 | Low | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 165.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L2010 L2020 T2043 | L2010-G2022 PolarHBondContact N-O 3.37Å; L2010-G2022 PolarHBondContact O-N 2.88Å; L2020-G2022 WeakPolarHBondContact CD1-O 3.49Å; G2022-T2043 CarbonylContact C-O 3.6Å; G2022-T2043 WeakPolarHBondContact CA-O 3.15Å |
| 2023 | I | 81.3 | Confident | 59.8 | Low | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.4 | 171.9 | -62.9 | -66 | 0 | 0 | 0 | 108.5 | L1868 A1870 G2008 L2020 S2025 F2042 T2043 V2045 | L1868-I2023 HydrophobicContact CD2-CD1 4.06Å; L1868-I2023 HydrophobicContact CD2-CG1 4.05Å; L1868-I2023 HydrophobicContact CG-CD1 4.17Å; L1868-I2023 HydrophobicContact CG-CG1 4.28Å; A1870-I2023 HydrophobicContact CB-CG2 4.17Å; G2008-I2023 WeakPolarHBondContact O-CA 3.28Å; L2020-I2023 HydrophobicContact CD1-CD1 4.36Å; L2020-I2023 HydrophobicContact CD2-CD1 4.25Å; I2023-S2025 PolarHBondContact O-N 3.04Å; I2023-F2042 CarbonylContact O-C 3.6Å; I2023-F2042 WeakPolarHBondContact O-CA 3.3Å; I2023-T2043 PolarHBondContact N-O 3.16Å; I2023-T2043 PolarHBondContact O-N 2.98Å; I2023-V2045 HydrophobicContact CG1-CG2 3.98Å |
| 2024 | I | 77.2 | Confident | 58.6 | Low | 22 Ų | 22 | 74 Ų | 74 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 124.1 | -179.4 | -63.5 | 169.1 | 0 | 0 | 0 | 109.8 | D2005 G2007 G2008 F2042 | D2005-I2024 HydrophobicContact CB-CD1 4.1Å; D2005-I2024 WeakPolarHBondContact O-CB 3.4Å; D2005-I2024 WeakPolarHBondContact O-CD1 3.16Å; G2007-I2024 PolarHBondContact N-O 3.16Å; G2008-I2024 PolarHBondContact O-N 3.33Å; I2024-F2042 HydrophobicContact CB-CD1 4.37Å; I2024-F2042 HydrophobicContact CD1-CE1 4.25Å; I2024-F2042 HydrophobicContact CG1-CD1 3.61Å; I2024-F2042 HydrophobicContact CG1-CE1 3.44Å; I2024-F2042 VanDerWaalsContact CG1-CE1 3.44Å |
| 2025 | S | 66.1 | Low | 57.4 | Low | 22 Ų | 22 | 76.7 Ų | 76.7 | 15% | 0.154 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -60.8 | 179.3 | -162.4 | 0 | 0 | 0 | 0 | 111.3 | H1872 I2023 V2041 | H1872-S2025 PolarHBondContact CE1-O 3.16Å; I2023-S2025 PolarHBondContact O-N 3.04Å; S2025-V2041 WeakPolarHBondContact CA-O 3.49Å; S2025-V2041 WeakPolarHBondContact CB-O 3.12Å; S2025-V2041 PolarHBondContact N-O 2.8Å |
| 2026 | F | 61.8 | Low | 56.5 | Low | 59 Ų | 59 | 73.9 Ų | 73.9 | 26% | 0.259 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 171.2 | 177.5 | 54.9 | -95.2 | 0 | 0 | 0 | 110.6 | F1986 I2028 V2041 | F1986-F2026 HydrophobicContact CD1-CZ 4.43Å; F1986-F2026 HydrophobicContact CE1-CE1 4.29Å; F1986-F2026 HydrophobicContact CE1-CE2 4.38Å; F1986-F2026 AromaticContact CE1-CZ 3.5Å; F1986-F2026 HydrophobicContact CE1-CZ 3.5Å; F1986-F2026 VanDerWaalsContact CE1-CZ 3.5Å; F1986-F2026 HydrophobicContact CZ-CE2 4.13Å; F1986-F2026 AromaticContact CZ-CZ 3.65Å; F1986-F2026 HydrophobicContact CZ-CZ 3.65Å; F2026-I2028 HydrophobicContact CD2-CD1 4Å; F2026-I2028 HydrophobicContact CD2-CG1 3.65Å; F2026-I2028 HydrophobicContact CE2-CD1 3.37Å; F2026-I2028 HydrophobicContact CE2-CG1 3.56Å; F2026-I2028 HydrophobicContact CZ-CD1 4.29Å; F2026-V2041 HydrophobicContact CD2-CB 4.3Å; F2026-V2041 HydrophobicContact CD2-CG2 4.26Å; F2026-V2041 HydrophobicContact CE1-CB 4.45Å; F2026-V2041 HydrophobicContact CE1-CG1 4.34Å; F2026-V2041 HydrophobicContact CE2-CB 3.86Å; F2026-V2041 HydrophobicContact CE2-CG1 4.38Å; F2026-V2041 HydrophobicContact CE2-CG2 3.58Å; F2026-V2041 HydrophobicContact CZ-CB 3.95Å; F2026-V2041 HydrophobicContact CZ-CG1 3.97Å; F2026-V2041 HydrophobicContact CZ-CG2 3.96Å; F2026-V2041 PolarHBondContact N-O 3.34Å; F2026-V2041 PolarHBondContact O-N 2.99Å |
| 2027 | S | 51.8 | Low | 55.8 | Low | 43 Ų | 43 | 72.8 Ų | 72.8 | 30% | 0.301 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.6 | 166.4 | -76 | 0 | 0 | 0 | 0 | 110.5 | S2001 F2039 S2040 | S2001-S2027 PolarHBondContact O-OG 2.85Å; S2001-S2027 PolarHBondContact OG-OG 3.02Å; S2027-F2039 WeakPolarHBondContact CA-O 2.88Å; S2027-S2040 PolarHBondContact OG-OG 3.08Å |
| 2028 | I | 49 | Very low | 55.3 | Low | 18 Ų | 18 | 68 Ų | 68 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.6 | 177.2 | -64.7 | 177 | 0 | 0 | 0 | 109 | L1957 F1986 F2026 V2030 F2039 | L1957-I2028 HydrophobicContact CD1-CD1 3.82Å; L1957-I2028 HydrophobicContact CD2-CD1 4.34Å; L1957-I2028 HydrophobicContact CD2-CG1 4.41Å; L1957-I2028 HydrophobicContact CD2-CG2 4.34Å; F1986-I2028 HydrophobicContact CE2-CD1 3.83Å; F1986-I2028 HydrophobicContact CZ-CD1 3.94Å; F2026-I2028 HydrophobicContact CD2-CD1 4Å; F2026-I2028 HydrophobicContact CD2-CG1 3.65Å; F2026-I2028 HydrophobicContact CE2-CD1 3.37Å; F2026-I2028 HydrophobicContact CE2-CG1 3.56Å; F2026-I2028 HydrophobicContact CZ-CD1 4.29Å; I2028-V2030 HydrophobicContact CG2-CG2 3.8Å; I2028-F2039 PolarHBondContact N-O 3.36Å; I2028-F2039 PolarHBondContact O-N 2.84Å |
| 2029 | D | 42.7 | Very low | 54.5 | Low | 96 Ų | 96 | 68.1 Ų | 68.1 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 107.2 | 162.7 | -66.7 | -15.6 | 0 | 0 | 0 | 108.4 | V2031 E2038 | D2029-V2031 PolarHBondContact O-N 2.74Å; D2029-E2038 VanDerWaalsContact OD1-CG 3.25Å; D2029-E2038 WeakPolarHBondContact OD1-CG 3.14Å |
| 2030 | V | 39.7 | Very low | 53.8 | Low | 29 Ų | 29 | 65.4 Ų | 65.4 | 18% | 0.176 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 99.5 | 173 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | Y1983 I2028 G2032 T2036 E2037 F2039 | Y1983-V2030 HydrophobicContact CD2-CG1 4.27Å; Y1983-V2030 HydrophobicContact CE2-CB 4.42Å; Y1983-V2030 HydrophobicContact CE2-CG1 3.49Å; Y1983-V2030 VanDerWaalsContact CE2-CG1 3.49Å; Y1983-V2030 HydrophobicContact CE2-CG2 4.05Å; I2028-V2030 HydrophobicContact CG2-CG2 3.8Å; V2030-G2032 VanDerWaalsContact C-N 3.27Å; V2030-G2032 PolarHBondContact O-N 2.96Å; V2030-T2036 WeakPolarHBondContact O-CA 3.21Å; V2030-E2037 WeakPolarHBondContact CB-O 3.04Å; V2030-E2037 PolarHBondContact N-O 3.37Å; V2030-E2037 PolarHBondContact O-N 2.92Å; V2030-F2039 HydrophobicContact CG2-CD2 4.3Å |
| 2031 | V | 36.3 | Very low | 53.1 | Low | 114 Ų | 114 | 63.8 Ų | 63.8 | 69% | 0.691 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 84.7 | 173.3 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | D2029 T2036 | D2029-V2031 PolarHBondContact O-N 2.74Å; V2031-T2036 HydrophobicContact CG2-CG2 4.38Å |
| 2032 | G | 32.7 | Very low | 52.9 | Low | 29 Ų | 29 | 60.9 Ų | 60.9 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 136.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | V2030 D2034 K2035 | V2030-G2032 VanDerWaalsContact C-N 3.27Å; V2030-G2032 PolarHBondContact O-N 2.96Å; G2032-D2034 PolarHBondContact O-N 2.91Å; G2032-K2035 CarbonylContact O-C 3.59Å; G2032-K2035 PolarHBondContact O-N 3.46Å |
| 2033 | F | 36.4 | Very low | 52.5 | Low | 208 Ų | 208 | 62.5 Ų | 62.5 | 91% | 0.912 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -4.4 | -171.5 | -100.3 | -86.6 | 0 | 0 | 0 | 116.9 | ||
| 2034 | D | 40.7 | Very low | 52.5 | Low | 161 Ų | 161 | 64 Ų | 64 | 86% | 0.861 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | -8.6 | 174 | -80.4 | -46.9 | 0 | 0 | 0 | 115.8 | G2032 | G2032-D2034 PolarHBondContact O-N 2.91Š|
| 2035 | K | 33.1 | Very low | 52.6 | Low | 166 Ų | 166 | 63.7 Ų | 63.7 | 72% | 0.722 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158 | 121.9 | 170.3 | -69.3 | -168 | 179.1 | 176.4 | 0 | 108.7 | G2032 E2037 | G2032-K2035 CarbonylContact O-C 3.59Å; G2032-K2035 PolarHBondContact O-N 3.46Å; K2035-E2037 PolarHBondContact O-N 3.27Å |
| 2036 | T | 34.5 | Very low | 53.2 | Low | 85 Ų | 85 | 65.6 Ų | 65.6 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 107.3 | 164.4 | 37.6 | 0 | 0 | 0 | 0 | 108.2 | V2030 V2031 | V2030-T2036 WeakPolarHBondContact O-CA 3.21Å; V2031-T2036 HydrophobicContact CG2-CG2 4.38Å |
| 2037 | E | 40.9 | Very low | 53.9 | Low | 70 Ų | 70 | 68 Ų | 68 | 33% | 0.327 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 109.6 | 171.1 | -69.3 | -165.3 | -175.1 | 0 | 0 | 108.1 | R1995 V2030 K2035 F2039 | R1995-E2037 IonicContact CZ-OE1 2.7Å; R1995-E2037 IonicContact CZ-OE2 2.77Å; R1995-E2037 IonicContact NE-OE2 3.83Å; R1995-E2037 PolarHBondContact NE-OE2 3.13Å; R1995-E2037 IonicContact NH2-OE1 2.65Å; R1995-E2037 PolarHBondContact NH2-OE1 2.68Å; R1995-E2037 IonicContact NH2-OE2 3.41Å; R1995-E2037 PolarHBondContact NH2-OE2 3.3Å; V2030-E2037 WeakPolarHBondContact CB-O 3.04Å; V2030-E2037 PolarHBondContact N-O 3.37Å; V2030-E2037 PolarHBondContact O-N 2.92Å; K2035-E2037 PolarHBondContact O-N 3.27Å; E2037-F2039 HydrophobicContact CB-CE2 3.9Å; E2037-F2039 HydrophobicContact CB-CZ 4.29Å |
| 2038 | E | 47.1 | Very low | 55.1 | Low | 53 Ų | 53 | 68.9 Ų | 68.9 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.6 | -178.2 | -56 | -179.3 | -169.1 | 0 | 0 | 109.8 | K1996 D2029 | K1996-E2038 HydrophobicContact CB-CB 3.78Å; K1996-E2038 WeakPolarHBondContact CB-O 3.47Å; K1996-E2038 HydrophobicContact CD-CB 3.65Å; K1996-E2038 HydrophobicContact CD-CG 4.44Å; K1996-E2038 WeakPolarHBondContact CD-OE2 3.25Å; K1996-E2038 WeakPolarHBondContact CE-OE2 3.12Å; K1996-E2038 HydrophobicContact CG-CB 4.37Å; K1996-E2038 PolarHBondContact N-O 2.89Å; K1996-E2038 IonicContact NZ-OE2 2.75Å; K1996-E2038 PolarHBondContact NZ-OE2 3.47Å; D2029-E2038 VanDerWaalsContact OD1-CG 3.25Å; D2029-E2038 WeakPolarHBondContact OD1-CG 3.14Å |
| 2039 | F | 53.7 | Low | 56.4 | Low | 65 Ų | 65 | 71 Ų | 71 | 29% | 0.285 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.5 | 178.4 | -62.9 | -88.3 | 0 | 0 | 0 | 111 | H1994 R1995 S2027 I2028 V2030 E2037 | H1994-F2039 WeakPolarHBondContact O-CA 2.88Å; R1995-F2039 HydrophobicContact CB-CE1 4.46Å; R1995-F2039 HydrophobicContact CG-CD1 4.34Å; R1995-F2039 HydrophobicContact CG-CE1 3.92Å; R1995-F2039 HydrophobicContact CG-CZ 4.49Å; S2027-F2039 WeakPolarHBondContact CA-O 2.88Å; I2028-F2039 PolarHBondContact N-O 3.36Å; I2028-F2039 PolarHBondContact O-N 2.84Å; V2030-F2039 HydrophobicContact CG2-CD2 4.3Å; E2037-F2039 HydrophobicContact CB-CE2 3.9Å; E2037-F2039 HydrophobicContact CB-CZ 4.29Å |
| 2040 | S | 63 | Low | 57.9 | Low | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.028 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.1 | 165.3 | -63.1 | 0 | 0 | 0 | 0 | 109.9 | H1993 H1994 S2001 S2027 | H1993-S2040 WeakPolarHBondContact CA-O 3.46Å; H1994-S2040 PolarHBondContact N-O 3.4Å; H1994-S2040 PolarHBondContact O-N 2.85Å; S2001-S2040 PolarHBondContact N-OG 2.88Å; S2001-S2040 PolarHBondContact OG-OG 3.05Å; S2027-S2040 PolarHBondContact OG-OG 3.08Å |
| 2041 | V | 65.9 | Low | 59.5 | Low | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.3 | -176.4 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | T1991 S2025 F2026 | T1991-V2041 HydrophobicContact CG2-CG1 3.94Å; S2025-V2041 WeakPolarHBondContact CA-O 3.49Å; S2025-V2041 WeakPolarHBondContact CB-O 3.12Å; S2025-V2041 PolarHBondContact N-O 2.8Å; F2026-V2041 HydrophobicContact CD2-CB 4.3Å; F2026-V2041 HydrophobicContact CD2-CG2 4.26Å; F2026-V2041 HydrophobicContact CE1-CB 4.45Å; F2026-V2041 HydrophobicContact CE1-CG1 4.34Å; F2026-V2041 HydrophobicContact CE2-CB 3.86Å; F2026-V2041 HydrophobicContact CE2-CG1 4.38Å; F2026-V2041 HydrophobicContact CE2-CG2 3.58Å; F2026-V2041 HydrophobicContact CZ-CB 3.95Å; F2026-V2041 HydrophobicContact CZ-CG1 3.97Å; F2026-V2041 HydrophobicContact CZ-CG2 3.96Å; F2026-V2041 PolarHBondContact N-O 3.34Å; F2026-V2041 PolarHBondContact O-N 2.99Å |
| 2042 | F | 74.6 | Confident | 61.2 | Low | 22 Ų | 22 | 67.9 Ų | 67.9 | 10% | 0.096 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.5 | 177.4 | -49.4 | -103.6 | 0 | 0 | 0 | 110.3 | T1991 L1992 H1994 L2010 I2023 I2024 | T1991-F2042 CarbonylContact C-O 3.51Å; T1991-F2042 WeakPolarHBondContact CA-O 3.28Å; T1991-F2042 WeakPolarHBondContact CB-O 3.49Å; L1992-F2042 HydrophobicContact CB-CB 4.22Å; L1992-F2042 PolarHBondContact N-O 2.82Å; L1992-F2042 PolarHBondContact O-N 3.19Å; H1994-F2042 HydrophobicContact CB-CE2 3.99Å; L2010-F2042 HydrophobicContact CB-CD1 3.81Å; L2010-F2042 HydrophobicContact CB-CE1 4.02Å; L2010-F2042 HydrophobicContact CD1-CE1 4.13Å; L2010-F2042 HydrophobicContact CD1-CZ 4.39Å; L2010-F2042 HydrophobicContact CD2-CD1 4.13Å; L2010-F2042 HydrophobicContact CD2-CD2 4.44Å; L2010-F2042 HydrophobicContact CD2-CE1 4.41Å; L2010-F2042 HydrophobicContact CD2-CG 4.14Å; L2010-F2042 HydrophobicContact CG-CD1 4.4Å; L2010-F2042 HydrophobicContact CG-CE1 4.42Å; I2023-F2042 CarbonylContact O-C 3.6Å; I2023-F2042 WeakPolarHBondContact O-CA 3.3Å; I2024-F2042 HydrophobicContact CB-CD1 4.37Å; I2024-F2042 HydrophobicContact CD1-CE1 4.25Å; I2024-F2042 HydrophobicContact CG1-CD1 3.61Å; I2024-F2042 HydrophobicContact CG1-CE1 3.44Å; I2024-F2042 VanDerWaalsContact CG1-CE1 3.44Å |
| 2043 | T | 74.4 | Confident | 63 | Low | 33 Ų | 33 | 73.6 Ų | 73.6 | 20% | 0.202 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 127.2 | 168.5 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | G2022 I2023 V2045 Y2048 | G2022-T2043 CarbonylContact C-O 3.6Å; G2022-T2043 WeakPolarHBondContact CA-O 3.15Å; I2023-T2043 PolarHBondContact N-O 3.16Å; I2023-T2043 PolarHBondContact O-N 2.98Å; T2043-V2045 PolarHBondContact O-N 2.98Å; T2043-Y2048 HydrophobicContact CG2-CD2 4.01Å; T2043-Y2048 HydrophobicContact CG2-CE2 3.3Å |
| 2044 | E | 81.3 | Confident | 64.5 | Low | 39 Ų | 39 | 70.6 Ų | 70.6 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 110.5 | -177.7 | -168.2 | -163.9 | 145.8 | 0 | 0 | 111.5 | N1990 L1992 S2046 K2047 Y2048 | N1990-E2044 PolarHBondContact O-N 3.11Å; N1990-E2044 VanDerWaalsContact O-N 3.07Å; L1992-E2044 HydrophobicContact CD1-CB 4.39Å; L1992-E2044 HydrophobicContact CD1-CG 4.17Å; L1992-E2044 HydrophobicContact CD2-CB 4.46Å; L1992-E2044 HydrophobicContact CD2-CG 4.08Å; L1992-E2044 HydrophobicContact CG-CB 4.02Å; L1992-E2044 HydrophobicContact CG-CG 4.04Å; E2044-S2046 VanDerWaalsContact C-N 3.3Å; E2044-S2046 WeakPolarHBondContact CG-OG 3.17Å; E2044-S2046 PolarHBondContact O-N 2.86Å; E2044-S2046 PolarHBondContact OE1-OG 2.74Å; E2044-K2047 HydrophobicContact CB-CG 4Å; E2044-K2047 HydrophobicContact CG-CG 4.19Å; E2044-K2047 WeakPolarHBondContact O-CB 3.48Å; E2044-K2047 PolarHBondContact O-N 3.48Å; E2044-K2047 VanDerWaalsContact O-N 3.14Å; E2044-K2047 VanDerWaalsContact OE1-CE 3.26Å; E2044-K2047 WeakPolarHBondContact OE1-CE 3.26Å; E2044-K2047 WeakPolarHBondContact OE2-CE 3.41Å; E2044-Y2048 WeakPolarHBondContact O-CD2 3.4Å |
| 2045 | V | 79.1 | Confident | 65.7 | Low | 16 Ų | 16 | 64.2 Ų | 64.2 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -62.5 | -33.8 | -172.4 | 173.2 | 0 | 0 | 0 | 0 | 112.8 | L1868 L2020 Y2021 I2023 T2043 K2047 Y2048 | L1868-V2045 HydrophobicContact CD2-CG1 4.43Å; L1868-V2045 HydrophobicContact CD2-CG2 4.21Å; L2020-V2045 HydrophobicContact CD2-CG2 4.31Å; L2020-V2045 HydrophobicContact CG-CG2 4.18Å; Y2021-V2045 PolarHBondContact O-N 3.27Å; I2023-V2045 HydrophobicContact CG1-CG2 3.98Å; T2043-V2045 PolarHBondContact O-N 2.98Å; V2045-K2047 PolarHBondContact O-N 3.28Å; V2045-K2047 VanDerWaalsContact O-N 3.08Å; V2045-Y2048 PolarHBondContact O-N 3.46Å |
| 2046 | S | 78.3 | Confident | 67.4 | Low | 61 Ų | 61 | 57.3 Ų | 57.3 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -56.3 | -27.4 | 177.7 | 21.2 | 0 | 0 | 0 | 0 | 113.6 | E2044 Y2048 | E2044-S2046 VanDerWaalsContact C-N 3.3Å; E2044-S2046 WeakPolarHBondContact CG-OG 3.17Å; E2044-S2046 PolarHBondContact O-N 2.86Å; E2044-S2046 PolarHBondContact OE1-OG 2.74Å; S2046-Y2048 VanDerWaalsContact C-N 3.27Å; S2046-Y2048 PolarHBondContact O-N 2.74Å |
| 2047 | K | 77.4 | Confident | 68.5 | Low | 109 Ų | 109 | 56.4 Ų | 56.4 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -75.5 | -16.2 | -179.9 | -57.9 | -68.1 | 174.6 | 169.4 | 0 | 113.2 | K1989 E2044 V2045 | K1989-K2047 WeakPolarHBondContact O-CE 3.25Å; K1989-K2047 PolarHBondContact O-NZ 2.85Å; E2044-K2047 HydrophobicContact CB-CG 4Å; E2044-K2047 HydrophobicContact CG-CG 4.19Å; E2044-K2047 WeakPolarHBondContact O-CB 3.48Å; E2044-K2047 PolarHBondContact O-N 3.48Å; E2044-K2047 VanDerWaalsContact O-N 3.14Å; E2044-K2047 VanDerWaalsContact OE1-CE 3.26Å; E2044-K2047 WeakPolarHBondContact OE1-CE 3.26Å; E2044-K2047 WeakPolarHBondContact OE2-CE 3.41Å; V2045-K2047 PolarHBondContact O-N 3.28Å; V2045-K2047 VanDerWaalsContact O-N 3.08Å |
| 2048 | Y | 75.9 | Confident | 69.1 | Low | 62 Ų | 62 | 57 Ų | 57 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -107.6 | 1.5 | -174.9 | -65 | -93.9 | 0 | 0 | 0 | 113.4 | T2043 E2044 V2045 S2046 N2050 W2051 M2052 | T2043-Y2048 HydrophobicContact CG2-CD2 4.01Å; T2043-Y2048 HydrophobicContact CG2-CE2 3.3Å; E2044-Y2048 WeakPolarHBondContact O-CD2 3.4Å; V2045-Y2048 PolarHBondContact O-N 3.46Å; S2046-Y2048 VanDerWaalsContact C-N 3.27Å; S2046-Y2048 PolarHBondContact O-N 2.74Å; Y2048-N2050 PolarHBondContact O-N 2.73Å; Y2048-W2051 WeakPolarHBondContact O-CB 3.26Å; Y2048-W2051 PolarHBondContact O-N 2.89Å; Y2048-W2051 VanDerWaalsContact O-N 3.13Å; Y2048-M2052 WeakPolarHBondContact O-CG 3.32Å; Y2048-M2052 PolarHBondContact O-N 2.88Å |
| 2049 | L | 76.5 | Confident | 69.2 | Low | 62 Ų | 62 | 56.1 Ų | 56.1 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.3 | -32.3 | -178.2 | -66.7 | 176.8 | 0 | 0 | 0 | 113.7 | W1858 M2052 R2053 | W1858-L2049 HydrophobicContact CH2-CD2 4.34Å; W1858-L2049 HydrophobicContact CZ3-CD2 4.02Å; L2049-M2052 HydrophobicContact CD2-SD 4.29Å; L2049-R2053 WeakPolarHBondContact O-CG 3.46Å; L2049-R2053 PolarHBondContact O-N 3.01Å |
| 2050 | N | 73.8 | Confident | 69 | Low | 109 Ų | 109 | 56.7 Ų | 56.7 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -69.8 | -43.8 | 176.8 | -71.8 | -17.6 | 0 | 0 | 0 | 111.6 | Y2048 M2052 R2053 E2054 | Y2048-N2050 PolarHBondContact O-N 2.73Å; N2050-M2052 VanDerWaalsContact C-N 3.32Å; N2050-M2052 PolarHBondContact O-N 3.3Å; N2050-R2053 PolarHBondContact O-N 3.2Å; N2050-E2054 WeakPolarHBondContact O-CG 2.91Å; N2050-E2054 PolarHBondContact O-N 3.08Å; N2050-E2054 VanDerWaalsContact O-N 3.08Å |
| 2051 | W | 73.2 | Confident | 68 | Low | 53 Ų | 53 | 61.2 Ų | 61.2 | 20% | 0.201 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 173.1 | 165.4 | 78.3 | 0 | 0 | 0 | 110.9 | L1868 I1939 Y2048 R2053 E2054 V2055 | L1868-W2051 HydrophobicContact CD1-CZ3 4.46Å; I1939-W2051 HydrophobicContact CG2-CZ2 4.34Å; Y2048-W2051 WeakPolarHBondContact O-CB 3.26Å; Y2048-W2051 PolarHBondContact O-N 2.89Å; Y2048-W2051 VanDerWaalsContact O-N 3.13Å; W2051-R2053 PolarHBondContact O-N 3.39Å; W2051-E2054 PolarHBondContact O-N 2.86Å; W2051-V2055 HydrophobicContact CG-CG2 4.43Å; W2051-V2055 WeakPolarHBondContact O-CB 2.87Å; W2051-V2055 WeakPolarHBondContact O-CG2 3.27Å; W2051-V2055 PolarHBondContact O-N 3.24Å |
| 2052 | M | 71.9 | Confident | 66.5 | Low | 12 Ų | 12 | 70.8 Ų | 70.8 | 6% | 0.059 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 175.8 | -65.3 | 176.1 | 75.8 | 0 | 0 | 112.3 | I1856 W1858 Y2048 L2049 N2050 E2054 I2056 | I1856-M2052 HydrophobicContact CD1-CE 3.6Å; W1858-M2052 HydrophobicContact CE3-CB 4.39Å; W1858-M2052 HydrophobicContact CE3-CE 3.79Å; W1858-M2052 HydrophobicContact CH2-CB 3.64Å; W1858-M2052 HydrophobicContact CZ2-CB 4.25Å; W1858-M2052 HydrophobicContact CZ3-CB 3.72Å; W1858-M2052 HydrophobicContact CZ3-CE 3.76Å; W1858-M2052 HydrophobicContact CZ3-CG 4.5Å; W1858-M2052 HydrophobicContact CZ3-SD 4.07Å; Y2048-M2052 WeakPolarHBondContact O-CG 3.32Å; Y2048-M2052 PolarHBondContact O-N 2.88Å; L2049-M2052 HydrophobicContact CD2-SD 4.29Å; N2050-M2052 VanDerWaalsContact C-N 3.32Å; N2050-M2052 PolarHBondContact O-N 3.3Å; M2052-E2054 VanDerWaalsContact C-N 3.33Å; M2052-E2054 PolarHBondContact O-N 2.89Å; M2052-I2056 HydrophobicContact CB-CD1 3.89Å; M2052-I2056 HydrophobicContact CE-CD1 4.13Å; M2052-I2056 VanDerWaalsContact O-CB 3.27Å; M2052-I2056 WeakPolarHBondContact O-CB 3.4Å; M2052-I2056 WeakPolarHBondContact O-CD1 3.25Å; M2052-I2056 WeakPolarHBondContact O-CG1 3.28Å; M2052-I2056 PolarHBondContact O-N 3.03Å |
| 2053 | R | 70.6 | Confident | 64.4 | Low | 149 Ų | 149 | 75.4 Ų | 75.4 | 56% | 0.562 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.7 | -35.2 | 175.6 | -81.3 | 176.6 | -166.8 | 158.5 | 4.2 | 113.6 | W1858 L2049 N2050 W2051 P2057 | W1858-R2053 HydrophobicContact CH2-CG 3.85Å; W1858-R2053 HydrophobicContact CZ2-CB 4.21Å; W1858-R2053 HydrophobicContact CZ2-CG 3.41Å; W1858-R2053 VanDerWaalsContact CZ2-CG 3.41Å; L2049-R2053 WeakPolarHBondContact O-CG 3.46Å; L2049-R2053 PolarHBondContact O-N 3.01Å; N2050-R2053 PolarHBondContact O-N 3.2Å; W2051-R2053 PolarHBondContact O-N 3.39Å; R2053-P2057 WeakPolarHBondContact O-CD 3.37Å; R2053-P2057 VanDerWaalsContact O-CG 3.24Å; R2053-P2057 WeakPolarHBondContact O-CG 3.34Å |
| 2054 | E | 68.9 | Low | 63.9 | Low | 145 Ų | 145 | 77.5 Ų | 77.5 | 68% | 0.678 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -77.9 | -40.2 | -179.6 | -72.6 | -179.4 | 171.2 | 0 | 0 | 111.8 | N2050 W2051 M2052 T2058 | N2050-E2054 WeakPolarHBondContact O-CG 2.91Å; N2050-E2054 PolarHBondContact O-N 3.08Å; N2050-E2054 VanDerWaalsContact O-N 3.08Å; W2051-E2054 PolarHBondContact O-N 2.86Å; M2052-E2054 VanDerWaalsContact C-N 3.33Å; M2052-E2054 PolarHBondContact O-N 2.89Å; E2054-T2058 WeakPolarHBondContact O-CG2 3.03Å; E2054-T2058 PolarHBondContact O-OG1 3.35Å |
| 2055 | V | 66.6 | Low | 63 | Low | 28 Ų | 28 | 79.5 Ų | 79.5 | 17% | 0.17 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -88.3 | -38.9 | -170.5 | 174.5 | 0 | 0 | 0 | 0 | 113.2 | I1939 W2051 T2058 T2059 | I1939-V2055 HydrophobicContact CB-CG1 4.44Å; I1939-V2055 HydrophobicContact CD1-CG1 3.81Å; I1939-V2055 HydrophobicContact CG2-CG1 3.57Å; W2051-V2055 HydrophobicContact CG-CG2 4.43Å; W2051-V2055 WeakPolarHBondContact O-CB 2.87Å; W2051-V2055 WeakPolarHBondContact O-CG2 3.27Å; W2051-V2055 PolarHBondContact O-N 3.24Å; V2055-T2058 WeakPolarHBondContact CA-OG1 3.24Å; V2055-T2058 PolarHBondContact O-N 2.74Å; V2055-T2058 PolarHBondContact O-OG1 2.92Å; V2055-T2059 WeakPolarHBondContact O-CB 3.11Å; V2055-T2059 PolarHBondContact O-N 2.74Å; V2055-T2059 PolarHBondContact O-OG1 2.72Å |
| 2056 | I | 67.1 | Low | 62.1 | Low | 21 Ų | 21 | 83.1 Ų | 83.1 | 11% | 0.108 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.7 | -49.3 | -175.3 | -66.1 | 169.6 | 0 | 0 | 0 | 111.7 | W1858 L1866 M2052 T2058 T2059 V2060 | W1858-I2056 HydrophobicContact CB-CD1 4.11Å; W1858-I2056 HydrophobicContact CD2-CD1 3.53Å; W1858-I2056 HydrophobicContact CE3-CD1 3.88Å; W1858-I2056 HydrophobicContact CG-CD1 3.62Å; W1858-I2056 HydrophobicContact CG-CG2 4.18Å; L1866-I2056 HydrophobicContact CD1-CD1 4.2Å; L1866-I2056 HydrophobicContact CD1-CG1 4.26Å; L1866-I2056 HydrophobicContact CD1-CG2 4.03Å; M2052-I2056 HydrophobicContact CB-CD1 3.89Å; M2052-I2056 HydrophobicContact CE-CD1 4.13Å; M2052-I2056 VanDerWaalsContact O-CB 3.27Å; M2052-I2056 WeakPolarHBondContact O-CB 3.4Å; M2052-I2056 WeakPolarHBondContact O-CD1 3.25Å; M2052-I2056 WeakPolarHBondContact O-CG1 3.28Å; M2052-I2056 PolarHBondContact O-N 3.03Å; I2056-T2058 VanDerWaalsContact C-N 3.34Å; I2056-T2058 PolarHBondContact O-N 2.96Å; I2056-T2059 PolarHBondContact O-N 3.23Å; I2056-V2060 HydrophobicContact CG2-CG2 4.2Å; I2056-V2060 WeakPolarHBondContact O-CB 3.12Å; I2056-V2060 WeakPolarHBondContact O-CG2 2.95Å; I2056-V2060 PolarHBondContact O-N 2.73Å |
| 2057 | P | 57.7 | Low | 61.2 | Low | 66 Ų | 66 | 84.4 Ų | 84.4 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68 | -33.1 | -179.2 | -18 | 32 | 0 | 0 | 0 | 113.4 | R2053 N2061 | R2053-P2057 WeakPolarHBondContact O-CD 3.37Å; R2053-P2057 VanDerWaalsContact O-CG 3.24Å; R2053-P2057 WeakPolarHBondContact O-CG 3.34Å; P2057-N2061 PolarHBondContact O-N 3.3Å |
| 2058 | T | 54 | Low | 60.1 | Low | 83 Ų | 83 | 82.8 Ų | 82.8 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -71.2 | -37.2 | 179.8 | 46 | 0 | 0 | 0 | 0 | 111.1 | E2054 V2055 I2056 Y2062 | E2054-T2058 WeakPolarHBondContact O-CG2 3.03Å; E2054-T2058 PolarHBondContact O-OG1 3.35Å; V2055-T2058 WeakPolarHBondContact CA-OG1 3.24Å; V2055-T2058 PolarHBondContact O-N 2.74Å; V2055-T2058 PolarHBondContact O-OG1 2.92Å; I2056-T2058 VanDerWaalsContact C-N 3.34Å; I2056-T2058 PolarHBondContact O-N 2.96Å; T2058-Y2062 WeakPolarHBondContact O-CD2 3.48Å |
| 2059 | T | 49.9 | Very low | 59.1 | Low | 34 Ų | 34 | 84.2 Ų | 84.2 | 21% | 0.209 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -79.6 | -36.9 | 179.5 | -33.6 | 0 | 0 | 0 | 0 | 112.5 | I1939 V2055 I2056 N2061 Y2062 V2063 | I1939-T2059 HydrophobicContact CD1-CG2 3.81Å; V2055-T2059 WeakPolarHBondContact O-CB 3.11Å; V2055-T2059 PolarHBondContact O-N 2.74Å; V2055-T2059 PolarHBondContact O-OG1 2.72Å; I2056-T2059 PolarHBondContact O-N 3.23Å; T2059-N2061 PolarHBondContact O-N 3.25Å; T2059-N2061 VanDerWaalsContact O-N 3.14Å; T2059-Y2062 PolarHBondContact O-N 3.16Å; T2059-V2063 PolarHBondContact O-N 2.92Å |
| 2060 | V | 48 | Very low | 57.8 | Low | 76 Ų | 76 | 85.8 Ų | 85.8 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.9 | -20.1 | 175.5 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | I2056 | I2056-V2060 HydrophobicContact CG2-CG2 4.2Å; I2056-V2060 WeakPolarHBondContact O-CB 3.12Å; I2056-V2060 WeakPolarHBondContact O-CG2 2.95Å; I2056-V2060 PolarHBondContact O-N 2.73Å |
| 2061 | N | 42.3 | Very low | 56.6 | Low | 99 Ų | 99 | 84 Ų | 84 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -14.7 | 172.1 | -86.9 | -32.7 | 0 | 0 | 0 | 114.4 | P2057 T2059 | P2057-N2061 PolarHBondContact O-N 3.3Å; T2059-N2061 PolarHBondContact O-N 3.25Å; T2059-N2061 VanDerWaalsContact O-N 3.14Å |
| 2062 | Y | 34.7 | Very low | 55.2 | Low | 208 Ų | 208 | 86.6 Ų | 86.6 | 82% | 0.816 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -17.1 | 174.1 | -92.2 | -82 | 0 | 0 | 0 | 113.2 | T2058 T2059 | T2058-Y2062 WeakPolarHBondContact O-CD2 3.48Å; T2059-Y2062 PolarHBondContact O-N 3.16Å |
| 2063 | V | 30.9 | Very low | 53.7 | Low | 118 Ų | 118 | 93.4 Ų | 93.4 | 72% | 0.715 | 47% | 0.471 | S | S | * | . | trans | -84.6 | 0 | 166.6 | -169.2 | 0 | 0 | 0 | 0 | 109.2 | T2059 | T2059-V2063 PolarHBondContact O-N 2.92Š|
Retrieved 2,063 of 2,063 residues in 3532.8 ms
(Link to these results)