| 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 | 40.8 | Very low | 62.5 | Low | 152 Ų | 152 | 60.5 Ų | 60.5 | 75% | 0.749 | 33% | 0.327 | S | S | * | . | 0 | 117.1 | 0 | -163.7 | 180 | -161.6 | 0 | 0 | 106.5 | V3 M291 S293 | M1-V3 PolarHBondContact O-N 2.86Å; M1-V3 VanDerWaalsContact O-N 3.12Å; M1-M291 HydrophobicContact CE-CE 4.34Å; M1-S293 WeakPolarHBondContact CE-OG 3.4Å | |||
| 2 | K | 39.9 | Very low | 64.1 | Low | 162 Ų | 162 | 65.2 Ų | 65.2 | 70% | 0.704 | 35% | 0.345 | S | S | * | . | trans | -68.4 | 111.5 | 174.3 | -84.1 | -177.4 | -179.6 | -177.1 | 0 | 106.6 | A4 H360 | K2-A4 PolarHBondContact O-N 2.65Å; K2-H360 WeakPolarHBondContact CB-OXT 3.17Å; K2-H360 VanDerWaalsContact CD-O 3.27Å; K2-H360 WeakPolarHBondContact CD-O 3.49Å; K2-H360 WeakPolarHBondContact CD-OXT 3.15Å | ||
| 3 | V | 49.3 | Very low | 65.4 | Low | 43 Ų | 43 | 61.6 Ų | 61.6 | 26% | 0.261 | 33% | 0.328 | S | S | . | . | trans | -64.2 | 132.6 | 173 | -176.9 | 0 | 0 | 0 | 0 | 105.6 | M1 V5 L301 V326 | M1-V3 PolarHBondContact O-N 2.86Å; M1-V3 VanDerWaalsContact O-N 3.12Å; V3-V5 VanDerWaalsContact C-N 3.25Å; V3-V5 HydrophobicContact CB-CG2 3.67Å; V3-V5 HydrophobicContact CG1-CG2 3.56Å; V3-V5 WeakPolarHBondContact O-CG2 3.5Å; V3-V5 PolarHBondContact O-N 2.6Å; V3-L301 HydrophobicContact CG1-CD1 4.27Å; V3-L301 HydrophobicContact CG1-CD2 3.61Å; V3-V326 HydrophobicContact CG1-CG2 4.16Å | ||
| 4 | A | 52.6 | Low | 66.4 | Low | 5 Ų | 5 | 61.9 Ų | 61.9 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | trans | -67.6 | 90.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | K2 D359 | K2-A4 PolarHBondContact O-N 2.65Å; A4-D359 WeakPolarHBondContact CA-O 3.25Å; A4-D359 WeakPolarHBondContact CB-O 3.14Å | ||
| 5 | V | 61.1 | Low | 66.7 | Low | 44 Ų | 44 | 58.5 Ų | 58.5 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | trans | -116.2 | 92.2 | -172.5 | 179.7 | 0 | 0 | 0 | 0 | 106.6 | V3 V326 F327 | V3-V5 VanDerWaalsContact C-N 3.25Å; V3-V5 HydrophobicContact CB-CG2 3.67Å; V3-V5 HydrophobicContact CG1-CG2 3.56Å; V3-V5 WeakPolarHBondContact O-CG2 3.5Å; V3-V5 PolarHBondContact O-N 2.6Å; V5-V326 HydrophobicContact CG2-CB 4.39Å; V5-V326 HydrophobicContact CG2-CG2 4.28Å; V5-F327 HydrophobicContact CG1-CB 3.71Å; V5-F327 HydrophobicContact CG1-CD2 3.28Å; V5-F327 HydrophobicContact CG1-CE2 4.1Å; V5-F327 HydrophobicContact CG1-CG 3.76Å | ||
| 6 | F | 68.8 | Low | 66.5 | Low | 16 Ų | 16 | 68.9 Ų | 68.9 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | trans | 30.5 | 103.2 | 167.2 | -81.3 | -83.4 | 0 | 0 | 0 | 116.6 | Y303 L311 V313 F327 I345 V347 Y356 | F6-Y303 HydrophobicContact CD2-CE1 4.39Å; F6-Y303 AromaticContact CE2-CD1 3.84Å; F6-Y303 HydrophobicContact CE2-CD1 3.84Å; F6-Y303 AromaticContact CE2-CE1 3.55Å; F6-Y303 HydrophobicContact CE2-CE1 3.55Å; F6-Y303 HydrophobicContact CZ-CD1 4.1Å; F6-Y303 AromaticContact CZ-CE1 3.98Å; F6-Y303 HydrophobicContact CZ-CE1 3.98Å; F6-L311 HydrophobicContact CE1-CD2 4.04Å; F6-L311 HydrophobicContact CE2-CD2 3.69Å; F6-L311 HydrophobicContact CE2-CG 4.4Å; F6-L311 HydrophobicContact CZ-CD2 3.24Å; F6-L311 HydrophobicContact CZ-CG 4.35Å; F6-V313 HydrophobicContact CD2-CG2 4.16Å; F6-V313 HydrophobicContact CE2-CG2 3.66Å; F6-F327 HydrophobicContact CB-CD2 4.49Å; F6-F327 HydrophobicContact CB-CE1 4Å; F6-F327 HydrophobicContact CB-CE2 3.86Å; F6-F327 HydrophobicContact CB-CZ 3.57Å; F6-F327 HydrophobicContact CD1-CE1 4.44Å; F6-F327 AromaticContact CD2-CD1 3.41Å; F6-F327 HydrophobicContact CD2-CD1 3.41Å; F6-F327 VanDerWaalsContact CD2-CD1 3.41Å; F6-F327 HydrophobicContact CD2-CD2 4.49Å; F6-F327 AromaticContact CD2-CE1 3.25Å; F6-F327 HydrophobicContact CD2-CE1 3.25Å; F6-F327 HydrophobicContact CD2-CE2 4.38Å; F6-F327 HydrophobicContact CD2-CG 4.03Å; F6-F327 AromaticContact CD2-CZ 3.79Å; F6-F327 HydrophobicContact CD2-CZ 3.79Å; F6-F327 AromaticContact CE2-CD1 3.84Å; F6-F327 HydrophobicContact CE2-CD1 3.84Å; F6-F327 AromaticContact CE2-CE1 3.78Å; F6-F327 HydrophobicContact CE2-CE1 3.78Å; F6-F327 HydrophobicContact CG-CD1 4.23Å; F6-F327 AromaticContact CG-CE1 3.64Å; F6-F327 HydrophobicContact CG-CE1 3.64Å; F6-F327 HydrophobicContact CG-CE2 4.41Å; F6-F327 AromaticContact CG-CZ 3.75Å; F6-F327 HydrophobicContact CG-CZ 3.75Å; F6-I345 HydrophobicContact CD1-CB 4.41Å; F6-I345 HydrophobicContact CD1-CD1 3.87Å; F6-I345 HydrophobicContact CD2-CD1 3.96Å; F6-I345 HydrophobicContact CE1-CB 3.65Å; F6-I345 HydrophobicContact CE1-CD1 3.69Å; F6-I345 HydrophobicContact CE1-CG1 4.28Å; F6-I345 HydrophobicContact CE1-CG2 3.52Å; F6-I345 HydrophobicContact CE2-CD1 3.81Å; F6-I345 HydrophobicContact CE2-CG2 4.39Å; F6-I345 HydrophobicContact CG-CD1 3.98Å; F6-I345 HydrophobicContact CZ-CB 3.9Å; F6-I345 HydrophobicContact CZ-CD1 3.64Å; F6-I345 HydrophobicContact CZ-CG1 4.3Å; F6-I345 HydrophobicContact CZ-CG2 3.34Å; F6-V347 HydrophobicContact CE1-CG2 4.11Å; F6-V347 HydrophobicContact CZ-CG2 4.16Å; F6-Y356 AromaticContact CD1-CD1 3.96Å; F6-Y356 HydrophobicContact CD1-CD1 3.96Å; F6-Y356 AromaticContact CD1-CD2 3.71Å; F6-Y356 HydrophobicContact CD1-CD2 3.71Å; F6-Y356 HydrophobicContact CD1-CE2 4.36Å; F6-Y356 AromaticContact CD1-CG 3.45Å; F6-Y356 HydrophobicContact CD1-CG 3.45Å; F6-Y356 VanDerWaalsContact CD1-CG 3.45Å; F6-Y356 HydrophobicContact CE1-CD1 4.47Å; F6-Y356 AromaticContact CE1-CD2 3.39Å; F6-Y356 HydrophobicContact CE1-CD2 3.39Å; F6-Y356 AromaticContact CE1-CE2 3.98Å; F6-Y356 HydrophobicContact CE1-CE2 3.98Å; F6-Y356 AromaticContact CE1-CG 3.66Å; F6-Y356 HydrophobicContact CE1-CG 3.66Å | ||
| 7 | G | 67.4 | Low | 65.8 | Low | 7 Ų | 7 | 74.2 Ų | 74.2 | 7% | 0.072 | 38% | 0.38 | C | S | . | . | trans | -74.3 | -163.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K357 D359 | G7-K357 WeakPolarHBondContact CA-O 3.09Å; G7-K357 PolarHBondContact N-O 3.07Å; G7-D359 WeakPolarHBondContact CA-OD1 3.41Å; G7-D359 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 8 | S | 70.1 | Confident | 64.6 | Low | 81 Ų | 81 | 72.5 Ų | 72.5 | 57% | 0.566 | 38% | 0.376 | S | S | * | . | trans | -62 | 145.9 | -179.6 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | I10 K357 | S8-I10 PolarHBondContact O-N 3.05Å; S8-K357 PolarHBondContact O-N 3.31Å | ||
| 9 | P | 76.8 | Confident | 64 | Low | 80 Ų | 80 | 72.3 Ų | 72.3 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 127.9 | 167.7 | 24.2 | -29.3 | 0 | 0 | 0 | 109.5 | Y356 | P9-Y356 HydrophobicContact CB-CD1 3.99Å; P9-Y356 HydrophobicContact CB-CE1 3.75Å; P9-Y356 HydrophobicContact CG-CE1 4.48Å |
| 10 | I | 80.5 | Confident | 63.5 | Low | 42 Ų | 42 | 69.4 Ų | 69.4 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -31.1 | 178.2 | -51.4 | 165.8 | 0 | 0 | 0 | 109.9 | S8 P54 V355 K357 | S8-I10 PolarHBondContact O-N 3.05Å; I10-P54 WeakPolarHBondContact CD1-O 3.2Å; I10-V355 PolarHBondContact N-O 2.8Å; I10-K357 HydrophobicContact CD1-CB 3.73Å; I10-K357 HydrophobicContact CD1-CD 4.48Å; I10-K357 HydrophobicContact CD1-CG 4.14Å; I10-K357 HydrophobicContact CG1-CB 4.27Å |
| 11 | Y | 80.5 | Confident | 63.7 | Low | 33 Ų | 33 | 73.8 Ų | 73.8 | 13% | 0.129 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 146.6 | -176.1 | -176.4 | -98.3 | 0 | 0 | 0 | 112.8 | S13 F49 P57 F58 I353 V355 | Y11-S13 WeakPolarHBondContact OH-CB 3.42Å; Y11-F49 HydrophobicContact CE1-CD1 4.32Å; Y11-P57 HydrophobicContact CD2-CB 3.84Å; Y11-P57 HydrophobicContact CE2-CB 4.22Å; Y11-F58 HydrophobicContact CD1-CB 3.99Å; Y11-F58 HydrophobicContact CD1-CD2 4.29Å; Y11-F58 HydrophobicContact CD1-CG 4.35Å; Y11-F58 HydrophobicContact CD2-CB 4.06Å; Y11-F58 VanDerWaalsContact CD2-N 3.25Å; Y11-F58 HydrophobicContact CE1-CB 3.76Å; Y11-F58 HydrophobicContact CE1-CG 4.48Å; Y11-F58 HydrophobicContact CE2-CB 3.81Å; Y11-F58 VanDerWaalsContact CE2-O 3.22Å; Y11-F58 WeakPolarHBondContact CE2-O 3.4Å; Y11-F58 HydrophobicContact CG-CB 4.11Å; Y11-F58 HydrophobicContact CG-CD2 4.2Å; Y11-F58 PolarHBondContact OH-O 3.28Å; Y11-I353 HydrophobicContact CD1-CG2 4.25Å; Y11-I353 HydrophobicContact CE1-CG2 3.77Å; Y11-V355 HydrophobicContact CD1-CG2 4.3Å; Y11-V355 PolarHBondContact N-O 2.84Å; Y11-V355 PolarHBondContact O-N 3.13Å |
| 12 | H | 81.6 | Confident | 65.9 | Low | 117 Ų | 117 | 67 Ų | 67 | 54% | 0.542 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 129 | 167.8 | 169.9 | -104.8 | 0 | 0 | 0 | 110 | I353 H354 | H12-I353 WeakPolarHBondContact CA-O 3.37Å; H12-H354 AromaticContact CD2-CE1 3.27Å; H12-H354 PolarHBondContact CD2-CE1 2.95Å; H12-H354 AromaticContact CD2-ND1 3.36Å; H12-H354 PolarHBondContact CD2-ND1 3.08Å; H12-H354 AromaticContact NE2-CE1 3.68Å |
| 13 | S | 81 | Confident | 68.3 | Low | 19 Ų | 19 | 60.1 Ų | 60.1 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.3 | 165.2 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | Y11 E60 G352 I353 | Y11-S13 WeakPolarHBondContact OH-CB 3.42Å; S13-E60 PolarHBondContact OG-OE2 3.48Å; S13-G352 CarbonylContact O-C 3.58Å; S13-G352 WeakPolarHBondContact O-CA 3.02Å; S13-I353 PolarHBondContact N-O 3.17Å; S13-I353 PolarHBondContact O-N 2.73Å |
| 14 | A | 78.5 | Confident | 70.2 | Confident | 65 Ų | 65 | 59 Ų | 59 | 54% | 0.537 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | T351 | A14-T351 WeakPolarHBondContact CA-O 3.39Å |
| 15 | V | 71.8 | Confident | 71.8 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 125 | 174.3 | -171.6 | 0 | 0 | 0 | 0 | 106.8 | Q17 I39 F49 T351 | V15-Q17 PolarHBondContact O-N 2.67Å; V15-I39 HydrophobicContact CG1-CD1 4.48Å; V15-I39 HydrophobicContact CG2-CD1 4.05Å; V15-F49 HydrophobicContact CG2-CE2 4.36Å; V15-F49 HydrophobicContact CG2-CZ 3.77Å; V15-T351 PolarHBondContact N-O 3.35Å; V15-T351 CarbonylContact O-C 3.5Å |
| 16 | W | 63 | Low | 73 | Confident | 226 Ų | 226 | 59.2 Ų | 59.2 | 86% | 0.856 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 134.7 | -179.5 | -83.4 | 64.3 | 0 | 0 | 0 | 110.4 | S18 | W16-S18 PolarHBondContact O-N 3.39Š|
| 17 | Q | 54.2 | Low | 73.6 | Confident | 158 Ų | 158 | 60 Ų | 60 | 74% | 0.738 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -58.7 | 8.9 | -165.6 | -106.2 | -177.6 | -11.5 | 0 | 0 | 117.4 | V15 N19 T351 | V15-Q17 PolarHBondContact O-N 2.67Å; Q17-N19 VanDerWaalsContact C-N 3.31Å; Q17-N19 PolarHBondContact O-N 2.69Å; Q17-T351 HydrophobicContact CG-CG2 3.59Å |
| 18 | S | 45.9 | Very low | 74 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 31% | 0.308 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -88.5 | 56.6 | -168.1 | 77.3 | 0 | 0 | 0 | 0 | 114.6 | W16 Q45 | W16-S18 PolarHBondContact O-N 3.39Å; S18-Q45 PolarHBondContact OG-OE1 2.86Å |
| 19 | N | 51.8 | Low | 73.9 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | trans | 91.1 | 60.2 | 159.2 | -35.3 | -67.5 | 0 | 0 | 0 | 118.4 | Q17 Y21 A41 L42 | Q17-N19 VanDerWaalsContact C-N 3.31Å; Q17-N19 PolarHBondContact O-N 2.69Å; N19-Y21 HydrophobicContact CB-CD2 4.45Å; N19-Y21 HydrophobicContact CB-CE2 4.22Å; N19-Y21 PolarHBondContact O-N 2.8Å; N19-A41 WeakPolarHBondContact O-CA 3.03Å; N19-L42 HydrophobicContact CB-CB 3.79Å; N19-L42 HydrophobicContact CB-CD1 3.54Å; N19-L42 HydrophobicContact CB-CG 3.46Å; N19-L42 VanDerWaalsContact CB-CG 3.46Å; N19-L42 PolarHBondContact O-N 3.18Å | ||
| 20 | A | 54 | Low | 73.3 | Confident | 15 Ų | 15 | 59 Ų | 59 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 106.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I39 | A20-I39 HydrophobicContact CB-CG2 3.76Å |
| 21 | Y | 68.3 | Low | 72.6 | Confident | 161 Ų | 161 | 69.2 Ų | 69.2 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 1.2 | 168.4 | -58.6 | -76.6 | 0 | 0 | 0 | 113.1 | N19 L42 | N19-Y21 HydrophobicContact CB-CD2 4.45Å; N19-Y21 HydrophobicContact CB-CE2 4.22Å; N19-Y21 PolarHBondContact O-N 2.8Å; Y21-L42 HydrophobicContact CD2-CD1 4.12Å; Y21-L42 HydrophobicContact CD2-CD2 4.1Å; Y21-L42 HydrophobicContact CD2-CG 4.1Å; Y21-L42 HydrophobicContact CE2-CD1 4.1Å |
| 22 | N | 87.4 | Confident | 71.9 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 5% | 0.048 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 105 | -178.6 | -70.9 | -73.9 | 0 | 0 | 0 | 109.7 | I39 L40 A80 S81 | N22-I39 WeakPolarHBondContact O-CA 3.48Å; N22-L40 HydrophobicContact CB-CB 4.03Å; N22-L40 WeakPolarHBondContact CB-O 3.39Å; N22-L40 PolarHBondContact O-N 3.43Å; N22-A80 VanDerWaalsContact OD1-C 3.24Å; N22-A80 WeakPolarHBondContact OD1-CA 2.88Å; N22-S81 WeakPolarHBondContact CB-OG 3.31Å; N22-S81 PolarHBondContact OD1-N 3.29Å; N22-S81 PolarHBondContact OD1-OG 2.93Å |
| 23 | V | 89.5 | Confident | 71.5 | Confident | 18 Ų | 18 | 71 Ų | 71 | 11% | 0.109 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.7 | -177.8 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | V37 T38 I39 N337 V348 | V23-V37 HydrophobicContact CG1-CG1 4.06Å; V23-T38 WeakPolarHBondContact CA-O 3.34Å; V23-I39 HydrophobicContact CG2-CG1 4.34Å; V23-N337 HydrophobicContact CB-CB 3.64Å; V23-N337 HydrophobicContact CG1-CB 3.82Å; V23-N337 HydrophobicContact CG2-CB 3.8Å; V23-V348 HydrophobicContact CG1-CB 4.31Å; V23-V348 HydrophobicContact CG1-CG2 3.72Å; V23-V348 HydrophobicContact CG2-CB 4.23Å; V23-V348 HydrophobicContact CG2-CG1 3.95Å; V23-V348 HydrophobicContact CG2-CG2 4.47Å |
| 24 | H | 89.6 | Confident | 71.5 | Confident | 21 Ų | 21 | 71.1 Ų | 71.1 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 117.5 | 178.6 | -55.6 | -71.7 | 0 | 0 | 0 | 109.4 | V37 T38 S81 L83 | H24-V37 CarbonylContact O-C 3.56Å; H24-V37 WeakPolarHBondContact O-CA 3.49Å; H24-T38 PolarHBondContact N-O 2.74Å; H24-T38 PolarHBondContact O-N 2.75Å; H24-S81 PolarHBondContact CE1-O 2.89Å; H24-S81 PolarHBondContact CE1-OG 2.85Å; H24-S81 PolarHBondContact NE2-OG 3.47Å; H24-L83 HydrophobicContact CB-CB 3.97Å; H24-L83 HydrophobicContact CB-CD2 4.01Å |
| 25 | T | 87.2 | Confident | 71.8 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.3 | 170.6 | -58.1 | 0 | 0 | 0 | 0 | 109 | W36 V37 S339 I346 | T25-W36 WeakPolarHBondContact CA-O 3.46Å; T25-V37 HydrophobicContact CG2-CG2 4.38Å; T25-S339 VanDerWaalsContact CB-OG 3.27Å; T25-S339 WeakPolarHBondContact CB-OG 3.5Å; T25-S339 WeakPolarHBondContact CG2-OG 3.38Å; T25-S339 PolarHBondContact OG1-OG 3.49Å; T25-I346 HydrophobicContact CG2-CD1 3.62Å |
| 26 | F | 85.1 | Confident | 72.5 | Confident | 16 Ų | 16 | 67.8 Ų | 67.8 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 161 | 174 | 60 | -84.9 | 0 | 0 | 0 | 110.6 | W36 L83 W91 F110 Y112 | F26-W36 HydrophobicContact CD1-CB 4.07Å; F26-W36 HydrophobicContact CD2-CB 3.83Å; F26-W36 HydrophobicContact CD2-CG 4.24Å; F26-W36 HydrophobicContact CE1-CB 3.56Å; F26-W36 HydrophobicContact CE1-CG 4.47Å; F26-W36 HydrophobicContact CE2-CB 3.28Å; F26-W36 AromaticContact CE2-CD1 3.58Å; F26-W36 HydrophobicContact CE2-CD2 4.35Å; F26-W36 AromaticContact CE2-CG 3.44Å; F26-W36 HydrophobicContact CE2-CG 3.44Å; F26-W36 VanDerWaalsContact CE2-CG 3.44Å; F26-W36 HydrophobicContact CG-CB 4.19Å; F26-W36 HydrophobicContact CZ-CB 3.12Å; F26-W36 HydrophobicContact CZ-CD2 4.27Å; F26-W36 AromaticContact CZ-CG 3.58Å; F26-W36 HydrophobicContact CZ-CG 3.58Å; F26-W36 PolarHBondContact N-O 3.44Å; F26-W36 PolarHBondContact O-N 3.34Å; F26-L83 HydrophobicContact CB-CD2 4.14Å; F26-L83 HydrophobicContact CD1-CD2 3.36Å; F26-L83 HydrophobicContact CE1-CD2 3.98Å; F26-L83 HydrophobicContact CG-CD2 3.91Å; F26-W91 HydrophobicContact CD2-CD2 4.12Å; F26-W91 AromaticContact CD2-CE2 3.47Å; F26-W91 VanDerWaalsContact CD2-CE2 3.47Å; F26-W91 HydrophobicContact CD2-CH2 4.28Å; F26-W91 AromaticContact CD2-CZ2 3.6Å; F26-W91 HydrophobicContact CD2-CZ2 3.6Å; F26-W91 AromaticContact CD2-NE1 3.57Å; F26-W91 HydrophobicContact CE2-CD2 4.28Å; F26-W91 HydrophobicContact CE2-CH2 4.31Å; F26-W91 HydrophobicContact CE2-CZ2 4.06Å; F26-W91 HydrophobicContact CE2-CZ3 4.48Å; F26-W91 AromaticContact CG-NE1 3.8Å; F26-F110 HydrophobicContact CD1-CZ 4.06Å; F26-F110 HydrophobicContact CD2-CE2 4.35Å; F26-F110 AromaticContact CD2-CZ 3.88Å; F26-F110 HydrophobicContact CD2-CZ 3.88Å; F26-F110 HydrophobicContact CE1-CE1 4.03Å; F26-F110 HydrophobicContact CE1-CE2 4.26Å; F26-F110 AromaticContact CE1-CZ 3.48Å; F26-F110 HydrophobicContact CE1-CZ 3.48Å; F26-F110 VanDerWaalsContact CE1-CZ 3.48Å; F26-F110 HydrophobicContact CE2-CE1 4.48Å; F26-F110 AromaticContact CE2-CE2 3.44Å; F26-F110 HydrophobicContact CE2-CE2 3.44Å; F26-F110 VanDerWaalsContact CE2-CE2 3.44Å; F26-F110 AromaticContact CE2-CZ 3.26Å; F26-F110 HydrophobicContact CE2-CZ 3.26Å; F26-F110 HydrophobicContact CG-CZ 4.23Å; F26-F110 HydrophobicContact CZ-CD2 4.49Å; F26-F110 AromaticContact CZ-CE1 3.96Å; F26-F110 HydrophobicContact CZ-CE1 3.96Å; F26-F110 AromaticContact CZ-CE2 3.38Å; F26-F110 HydrophobicContact CZ-CE2 3.38Å; F26-F110 AromaticContact CZ-CZ 3.03Å; F26-F110 HydrophobicContact CZ-CZ 3.03Å; F26-Y112 AromaticContact CE2-CE2 3.76Å; F26-Y112 HydrophobicContact CE2-CE2 3.76Å; F26-Y112 AromaticContact CZ-CE2 3.79Å; F26-Y112 HydrophobicContact CZ-CE2 3.79Å |
| 27 | S | 80.6 | Confident | 73.8 | Confident | 32 Ų | 32 | 57 Ų | 57 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 142.7 | 174.9 | -66.3 | 0 | 0 | 0 | 0 | 110.5 | E34 S341 | S27-E34 CarbonylContact C-O 3.58Å; S27-E34 WeakPolarHBondContact CA-O 2.77Å; S27-E34 WeakPolarHBondContact CB-O 3.05Å; S27-S341 PolarHBondContact OG-OG 3.18Å |
| 28 | R | 76.3 | Confident | 75.4 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 17% | 0.166 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 128.4 | 176.7 | 177.3 | 174.1 | 172.4 | -150 | 11.9 | 109.3 | S30 E33 E34 N89 W91 Y112 | R28-S30 PolarHBondContact O-N 2.84Å; R28-E33 WeakPolarHBondContact O-CA 3.45Å; R28-E34 HydrophobicContact CB-CB 4.34Å; R28-E34 PolarHBondContact N-O 3.21Å; R28-E34 IonicContact NH1-OE1 2.95Å; R28-E34 IonicContact NH1-OE2 3.05Å; R28-E34 PolarHBondContact NH1-OE2 2.94Å; R28-E34 VanDerWaalsContact NH1-OE2 3.13Å; R28-E34 PolarHBondContact O-N 3.47Å; R28-N89 HydrophobicContact CG-CB 4.48Å; R28-W91 HydrophobicContact CB-CH2 3.62Å; R28-W91 HydrophobicContact CB-CZ2 4.06Å; R28-W91 HydrophobicContact CG-CH2 3.73Å; R28-Y112 VanDerWaalsContact NH1-CB 3.29Å; R28-Y112 PolarHBondContact NH2-O 3.38Å |
| 29 | A | 67.5 | Low | 77.5 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 45% | 0.446 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 91.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | N89 | A29-N89 PolarHBondContact N-OD1 3.13Å; A29-N89 PolarHBondContact O-ND2 3.19Å |
| 30 | S | 65.8 | Low | 79.2 | Confident | 48 Ų | 48 | 44.4 Ų | 44.4 | 34% | 0.336 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -102.4 | -162.6 | 166.3 | 105.1 | 0 | 0 | 0 | 0 | 108.9 | R28 V32 E34 | R28-S30 PolarHBondContact O-N 2.84Å; S30-V32 WeakPolarHBondContact CB-O 3.07Å; S30-V32 PolarHBondContact O-N 3.15Å; S30-V32 PolarHBondContact OG-N 3.05Å; S30-V32 PolarHBondContact OG-O 3.45Å; S30-E34 WeakPolarHBondContact CB-OE1 3.15Å; S30-E34 PolarHBondContact OG-OE1 3.22Å |
| 31 | R | 64.7 | Low | 80.9 | Confident | 258 Ų | 258 | 43.9 Ų | 43.9 | 97% | 0.974 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -58.3 | -29.2 | 170.3 | -75.3 | -175.9 | 177.2 | -178.8 | -0.5 | 111.8 | ||
| 32 | V | 67.2 | Low | 81.8 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 52% | 0.515 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -122.8 | 135.9 | 167.9 | -171 | 0 | 0 | 0 | 0 | 106.5 | S30 E34 A52 | S30-V32 WeakPolarHBondContact CB-O 3.07Å; S30-V32 PolarHBondContact O-N 3.15Å; S30-V32 PolarHBondContact OG-N 3.05Å; S30-V32 PolarHBondContact OG-O 3.45Å; V32-E34 PolarHBondContact O-N 3.45Å; V32-A52 WeakPolarHBondContact CG1-O 3.3Å |
| 33 | E | 71.9 | Confident | 81.7 | Confident | 102 Ų | 102 | 38.9 Ų | 38.9 | 48% | 0.477 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 110.8 | 179.6 | -86 | -164.7 | 131.6 | 0 | 0 | 110.7 | R28 K342 | R28-E33 WeakPolarHBondContact O-CA 3.45Å; E33-K342 HydrophobicContact CB-CD 4.18Å; E33-K342 WeakPolarHBondContact OE1-CE 3.3Å; E33-K342 IonicContact OE1-NZ 3.86Å; E33-K342 PolarHBondContact OE1-NZ 3.41Å; E33-K342 VanDerWaalsContact OE2-CD 3.27Å; E33-K342 WeakPolarHBondContact OE2-CD 3.44Å; E33-K342 WeakPolarHBondContact OE2-CE 3.5Å; E33-K342 IonicContact OE2-NZ 2.74Å; E33-K342 PolarHBondContact OE2-NZ 2.84Å |
| 34 | E | 81.1 | Confident | 81.6 | Confident | 22 Ų | 22 | 38 Ų | 38 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 145.3 | -177 | -64.4 | 153.2 | -151.9 | 0 | 0 | 110.8 | S27 R28 S30 V32 W36 H50 C51 A52 | S27-E34 CarbonylContact C-O 3.58Å; S27-E34 WeakPolarHBondContact CA-O 2.77Å; S27-E34 WeakPolarHBondContact CB-O 3.05Å; R28-E34 HydrophobicContact CB-CB 4.34Å; R28-E34 PolarHBondContact N-O 3.21Å; R28-E34 IonicContact NH1-OE1 2.95Å; R28-E34 IonicContact NH1-OE2 3.05Å; R28-E34 PolarHBondContact NH1-OE2 2.94Å; R28-E34 VanDerWaalsContact NH1-OE2 3.13Å; R28-E34 PolarHBondContact O-N 3.47Å; S30-E34 WeakPolarHBondContact CB-OE1 3.15Å; S30-E34 PolarHBondContact OG-OE1 3.22Å; V32-E34 PolarHBondContact O-N 3.45Å; E34-W36 PolarHBondContact OE2-NE1 2.91Å; E34-H50 IonicContact OE2-NE2 3.95Å; E34-C51 WeakPolarHBondContact CA-O 3.28Å; E34-A52 HydrophobicContact CG-CB 4.18Å |
| 35 | T | 85.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 135.9 | 172.5 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | C51 F58 I346 | T35-C51 PolarHBondContact N-O 3.14Å; T35-C51 PolarHBondContact O-N 3.12Å; T35-F58 HydrophobicContact CG2-CE1 4.32Å; T35-F58 HydrophobicContact CG2-CZ 3.95Å; T35-I346 HydrophobicContact CG2-CD1 3.68Å |
| 36 | W | 87.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.3 | -178.9 | -68.6 | 88.7 | 0 | 0 | 0 | 111.1 | T25 F26 E34 F49 H50 Y112 S116 | T25-W36 WeakPolarHBondContact CA-O 3.46Å; F26-W36 HydrophobicContact CD1-CB 4.07Å; F26-W36 HydrophobicContact CD2-CB 3.83Å; F26-W36 HydrophobicContact CD2-CG 4.24Å; F26-W36 HydrophobicContact CE1-CB 3.56Å; F26-W36 HydrophobicContact CE1-CG 4.47Å; F26-W36 HydrophobicContact CE2-CB 3.28Å; F26-W36 AromaticContact CE2-CD1 3.58Å; F26-W36 HydrophobicContact CE2-CD2 4.35Å; F26-W36 AromaticContact CE2-CG 3.44Å; F26-W36 HydrophobicContact CE2-CG 3.44Å; F26-W36 VanDerWaalsContact CE2-CG 3.44Å; F26-W36 HydrophobicContact CG-CB 4.19Å; F26-W36 HydrophobicContact CZ-CB 3.12Å; F26-W36 HydrophobicContact CZ-CD2 4.27Å; F26-W36 AromaticContact CZ-CG 3.58Å; F26-W36 HydrophobicContact CZ-CG 3.58Å; F26-W36 PolarHBondContact N-O 3.44Å; F26-W36 PolarHBondContact O-N 3.34Å; E34-W36 PolarHBondContact OE2-NE1 2.91Å; W36-F49 CarbonylContact C-O 3.53Å; W36-F49 VanDerWaalsContact CA-O 3.3Å; W36-F49 WeakPolarHBondContact CA-O 3.34Å; W36-H50 HydrophobicContact CD2-CB 4.18Å; W36-H50 AromaticContact CD2-CD2 3.61Å; W36-H50 AromaticContact CE2-CD2 3.1Å; W36-H50 AromaticContact CE2-CG 3.82Å; W36-H50 AromaticContact CE2-NE2 3.72Å; W36-H50 HydrophobicContact CE3-CB 3.63Å; W36-H50 AromaticContact CE3-CD2 3.97Å; W36-H50 HydrophobicContact CH2-CB 3.46Å; W36-H50 VanDerWaalsContact CH2-CB 3.46Å; W36-H50 AromaticContact CH2-CD2 3.43Å; W36-H50 VanDerWaalsContact CH2-CD2 3.43Å; W36-H50 WeakPolarHBondContact CH2-CD2 3.31Å; W36-H50 AromaticContact CH2-CG 3.24Å; W36-H50 AromaticContact CH2-ND1 3.83Å; W36-H50 HydrophobicContact CZ2-CB 4.04Å; W36-H50 AromaticContact CZ2-CD2 3.02Å; W36-H50 WeakPolarHBondContact CZ2-CD2 3.17Å; W36-H50 AromaticContact CZ2-CE1 3.94Å; W36-H50 AromaticContact CZ2-CG 3.39Å; W36-H50 AromaticContact CZ2-ND1 3.97Å; W36-H50 AromaticContact CZ2-NE2 3.39Å; W36-H50 WeakPolarHBondContact CZ2-NE2 3.02Å; W36-H50 HydrophobicContact CZ3-CB 3.28Å; W36-H50 AromaticContact CZ3-CD2 3.93Å; W36-H50 AromaticContact CZ3-CG 3.63Å; W36-H50 AromaticContact NE1-CD2 3.54Å; W36-H50 AromaticContact NE1-NE2 3.93Å; W36-Y112 HydrophobicContact CD2-CD2 4.37Å; W36-Y112 AromaticContact CD2-CE1 3.97Å; W36-Y112 HydrophobicContact CD2-CE1 3.97Å; W36-Y112 AromaticContact CD2-CE2 3.54Å; W36-Y112 HydrophobicContact CD2-CE2 3.54Å; W36-Y112 AromaticContact CD2-CZ 3.32Å; W36-Y112 VanDerWaalsContact CD2-OH 3.29Å; W36-Y112 AromaticContact CE2-CD2 3.77Å; W36-Y112 AromaticContact CE2-CE1 3.69Å; W36-Y112 AromaticContact CE2-CE2 3.4Å; W36-Y112 VanDerWaalsContact CE2-CE2 3.4Å; W36-Y112 AromaticContact CE2-CZ 3.38Å; W36-Y112 AromaticContact CE3-CE1 3.71Å; W36-Y112 HydrophobicContact CE3-CE1 3.71Å; W36-Y112 AromaticContact CE3-CE2 3.96Å; W36-Y112 HydrophobicContact CE3-CE2 3.96Å; W36-Y112 AromaticContact CE3-CZ 3.23Å; W36-Y112 AromaticContact CG-CE2 3.99Å; W36-Y112 HydrophobicContact CG-CE2 3.99Å; W36-Y112 AromaticContact CH2-CD1 3.35Å; W36-Y112 HydrophobicContact CH2-CD1 3.35Å; W36-Y112 AromaticContact CH2-CE1 2.85Å; W36-Y112 HydrophobicContact CH2-CE1 2.85Å; W36-Y112 HydrophobicContact CH2-CE2 4.15Å; W36-Y112 HydrophobicContact CH2-CG 4.2Å; W36-Y112 AromaticContact CH2-CZ 3.34Å; W36-Y112 AromaticContact CZ2-CD1 3.28Å; W36-Y112 HydrophobicContact CZ2-CD1 3.28Å; W36-Y112 AromaticContact CZ2-CD2 3.88Å; W36-Y112 HydrophobicContact CZ2-CD2 3.88Å; W36-Y112 AromaticContact CZ2-CE1 3.16Å; W36-Y112 HydrophobicContact CZ2-CE1 3.16Å; W36-Y112 AromaticContact CZ2-CE2 3.74Å; W36-Y112 HydrophobicContact CZ2-CE2 3.74Å; W36-Y112 AromaticContact CZ2-CG 3.67Å; W36-Y112 HydrophobicContact CZ2-CG 3.67Å; W36-Y112 AromaticContact CZ2-CZ 3.41Å; W36-Y112 VanDerWaalsContact CZ2-CZ 3.41Å; W36-Y112 HydrophobicContact CZ3-CD1 4.08Å; W36-Y112 AromaticContact CZ3-CE1 3.11Å; W36-Y112 HydrophobicContact CZ3-CE1 3.11Å; W36-Y112 HydrophobicContact CZ3-CE2 4.21Å; W36-Y112 AromaticContact CZ3-CZ 3.19Å; W36-Y112 WeakPolarHBondContact CZ3-OH 3.5Å; W36-Y112 AromaticContact NE1-CD2 3.96Å; W36-Y112 AromaticContact NE1-CE2 3.8Å; W36-S116 WeakPolarHBondContact CH2-O 3.22Å |
| 37 | V | 88.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 121.1 | 173.6 | -174 | 0 | 0 | 0 | 0 | 108.7 | V23 H24 T25 I39 N48 F49 F58 I346 V348 I353 | V23-V37 HydrophobicContact CG1-CG1 4.06Å; H24-V37 CarbonylContact O-C 3.56Å; H24-V37 WeakPolarHBondContact O-CA 3.49Å; T25-V37 HydrophobicContact CG2-CG2 4.38Å; V37-I39 HydrophobicContact CG1-CG1 4.45Å; V37-N48 CarbonylContact O-C 3.6Å; V37-N48 WeakPolarHBondContact O-CA 3.41Å; V37-F49 HydrophobicContact CB-CB 4.24Å; V37-F49 HydrophobicContact CB-CD2 4.34Å; V37-F49 PolarHBondContact N-O 2.81Å; V37-F49 PolarHBondContact O-N 3.22Å; V37-F58 HydrophobicContact CG2-CE1 4.13Å; V37-I346 HydrophobicContact CG2-CD1 3.46Å; V37-I346 VanDerWaalsContact CG2-CD1 3.46Å; V37-I346 HydrophobicContact CG2-CG2 3.88Å; V37-V348 HydrophobicContact CG1-CG2 4.39Å; V37-I353 HydrophobicContact CB-CD1 3.9Å; V37-I353 HydrophobicContact CG1-CD1 3.84Å; V37-I353 HydrophobicContact CG2-CD1 3.98Å |
| 38 | T | 89 | Confident | 81.9 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.3 | 174.7 | -63.1 | 0 | 0 | 0 | 0 | 109.3 | V23 H24 H47 N48 W120 | V23-T38 WeakPolarHBondContact CA-O 3.34Å; H24-T38 PolarHBondContact N-O 2.74Å; H24-T38 PolarHBondContact O-N 2.75Å; T38-H47 CarbonylContact C-O 3.53Å; T38-H47 WeakPolarHBondContact CA-O 3.32Å; T38-N48 VanDerWaalsContact CG2-OD1 3.3Å; T38-N48 WeakPolarHBondContact CG2-OD1 3.14Å; T38-N48 PolarHBondContact OG1-OD1 3.07Å; T38-W120 HydrophobicContact CG2-CH2 4.42Å; T38-W120 HydrophobicContact CG2-CZ2 3.91Å |
| 39 | I | 89.2 | Confident | 82.4 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.1 | 171.9 | -53.6 | 178.5 | 0 | 0 | 0 | 108.2 | V15 A20 N22 V23 V37 M46 H47 F49 V348 | V15-I39 HydrophobicContact CG1-CD1 4.48Å; V15-I39 HydrophobicContact CG2-CD1 4.05Å; A20-I39 HydrophobicContact CB-CG2 3.76Å; N22-I39 WeakPolarHBondContact O-CA 3.48Å; V23-I39 HydrophobicContact CG2-CG1 4.34Å; V37-I39 HydrophobicContact CG1-CG1 4.45Å; I39-M46 WeakPolarHBondContact O-CA 3.35Å; I39-H47 HydrophobicContact CB-CB 4.29Å; I39-H47 PolarHBondContact N-O 2.46Å; I39-H47 PolarHBondContact O-N 2.97Å; I39-F49 HydrophobicContact CD1-CE2 3.76Å; I39-F49 HydrophobicContact CG1-CE2 4.15Å; I39-V348 HydrophobicContact CD1-CG1 3.72Å; I39-V348 HydrophobicContact CG1-CG1 4.5Å |
| 40 | L | 88.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 114.7 | 177.3 | 178.9 | 63.9 | 0 | 0 | 0 | 110.1 | N22 M46 M65 V78 V95 | N22-L40 HydrophobicContact CB-CB 4.03Å; N22-L40 WeakPolarHBondContact CB-O 3.39Å; N22-L40 PolarHBondContact O-N 3.43Å; L40-M46 HydrophobicContact CD1-CG 3.5Å; L40-M46 VanDerWaalsContact CD1-CG 3.5Å; L40-M46 HydrophobicContact CD1-SD 4.3Å; L40-M65 HydrophobicContact CD1-CG 3.85Å; L40-M65 HydrophobicContact CD1-SD 3.44Å; L40-M65 WeakPolarHBondContact CD1-SD 3.47Å; L40-M65 HydrophobicContact CD2-SD 3.75Å; L40-M65 HydrophobicContact CG-SD 4.22Å; L40-V78 HydrophobicContact CD1-CG2 4.34Å; L40-V78 HydrophobicContact CD2-CB 4.48Å; L40-V78 HydrophobicContact CD2-CG1 3.68Å; L40-V78 HydrophobicContact CD2-CG2 4.12Å; L40-V78 HydrophobicContact CG-CG1 4.02Å; L40-V78 HydrophobicContact CG-CG2 4.22Å; L40-V95 HydrophobicContact CD2-CG1 3.89Å; L40-V95 HydrophobicContact CD2-CG2 3.98Å |
| 41 | A | 88.1 | Confident | 84.1 | Confident | 4 Ų | 4 | 31.2 Ų | 31.2 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 156.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N19 S43 G44 Q45 | N19-A41 WeakPolarHBondContact O-CA 3.03Å; A41-S43 PolarHBondContact O-N 3.32Å; A41-S43 VanDerWaalsContact O-N 3.07Å; A41-G44 PolarHBondContact O-N 3Å; A41-Q45 HydrophobicContact CB-CB 4.04Å; A41-Q45 PolarHBondContact N-O 3.13Å |
| 42 | L | 87.4 | Confident | 84.8 | Confident | 43 Ų | 43 | 21 Ų | 21 | 23% | 0.225 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -27.5 | 173.4 | -60.7 | 179.1 | 0 | 0 | 0 | 113 | N19 Y21 G44 R77 V78 | N19-L42 HydrophobicContact CB-CB 3.79Å; N19-L42 HydrophobicContact CB-CD1 3.54Å; N19-L42 HydrophobicContact CB-CG 3.46Å; N19-L42 VanDerWaalsContact CB-CG 3.46Å; N19-L42 PolarHBondContact O-N 3.18Å; Y21-L42 HydrophobicContact CD2-CD1 4.12Å; Y21-L42 HydrophobicContact CD2-CD2 4.1Å; Y21-L42 HydrophobicContact CD2-CG 4.1Å; Y21-L42 HydrophobicContact CE2-CD1 4.1Å; L42-G44 VanDerWaalsContact C-N 3.29Å; L42-R77 WeakPolarHBondContact O-CA 3.32Å; L42-V78 WeakPolarHBondContact CD2-O 3.5Å; L42-V78 PolarHBondContact O-N 2.87Å |
| 43 | S | 86.2 | Confident | 85.2 | Confident | 22 Ų | 22 | 20 Ų | 20 | 15% | 0.154 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15.2 | 176.7 | 59.1 | 0 | 0 | 0 | 0 | 114.1 | A41 Q45 H64 | A41-S43 PolarHBondContact O-N 3.32Å; A41-S43 VanDerWaalsContact O-N 3.07Å; S43-Q45 PolarHBondContact OG-N 2.74Å; S43-H64 PolarHBondContact O-CE1 2.6Å |
| 44 | G | 87.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 90.5 | 3.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A41 L42 M65 | A41-G44 PolarHBondContact O-N 3Å; L42-G44 VanDerWaalsContact C-N 3.29Å; G44-M65 WeakPolarHBondContact O-CB 3.42Å; G44-M65 PolarHBondContact O-N 2.91Å |
| 45 | Q | 87.5 | Confident | 84.7 | Confident | 73 Ų | 73 | 21.2 Ų | 21.2 | 34% | 0.341 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 135 | 168.3 | -75.4 | 177.8 | -14.9 | 0 | 0 | 110.3 | S18 A41 S43 | S18-Q45 PolarHBondContact OG-OE1 2.86Å; A41-Q45 HydrophobicContact CB-CB 4.04Å; A41-Q45 PolarHBondContact N-O 3.13Å; S43-Q45 PolarHBondContact OG-N 2.74Å |
| 46 | M | 87.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.6 | 179.4 | -64.2 | -172.5 | -51.2 | 0 | 0 | 109.8 | I39 L40 H62 A63 M65 I68 W120 | I39-M46 WeakPolarHBondContact O-CA 3.35Å; L40-M46 HydrophobicContact CD1-CG 3.5Å; L40-M46 VanDerWaalsContact CD1-CG 3.5Å; L40-M46 HydrophobicContact CD1-SD 4.3Å; M46-H62 WeakPolarHBondContact O-CA 3.34Å; M46-A63 HydrophobicContact CB-CB 4.27Å; M46-A63 HydrophobicContact CE-CB 3.6Å; M46-A63 PolarHBondContact N-O 3.39Å; M46-A63 PolarHBondContact O-N 2.74Å; M46-M65 HydrophobicContact CG-CG 4.1Å; M46-M65 HydrophobicContact SD-CG 3.7Å; M46-I68 HydrophobicContact CE-CD1 4.21Å; M46-W120 HydrophobicContact CE-CB 4.39Å; M46-W120 HydrophobicContact CE-CD2 4.24Å; M46-W120 HydrophobicContact CE-CG 3.8Å; M46-W120 HydrophobicContact SD-CD2 4.3Å; M46-W120 HydrophobicContact SD-CG 4.46Å |
| 47 | H | 87.2 | Confident | 83.5 | Confident | 13 Ų | 13 | 27.5 Ų | 27.5 | 6% | 0.06 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.3 | 171 | -60.7 | -105 | 0 | 0 | 0 | 108 | T38 I39 F49 E60 H62 | T38-H47 CarbonylContact C-O 3.53Å; T38-H47 WeakPolarHBondContact CA-O 3.32Å; I39-H47 HydrophobicContact CB-CB 4.29Å; I39-H47 PolarHBondContact N-O 2.46Å; I39-H47 PolarHBondContact O-N 2.97Å; H47-F49 HydrophobicContact CB-CE2 3.69Å; H47-F49 HydrophobicContact CB-CZ 3.98Å; H47-E60 IonicContact ND1-OE1 3Å; H47-E60 PolarHBondContact ND1-OE1 3.21Å; H47-H62 AromaticContact CE1-CE1 3.7Å; H47-H62 AromaticContact CE1-ND1 3.48Å; H47-H62 PolarHBondContact CE1-ND1 2.99Å; H47-H62 AromaticContact ND1-CE1 3.31Å; H47-H62 PolarHBondContact ND1-CE1 3.01Å; H47-H62 VanDerWaalsContact ND1-CE1 3.31Å; H47-H62 AromaticContact ND1-ND1 3.16Å; H47-H62 PolarHBondContact ND1-ND1 3.16Å; H47-H62 VanDerWaalsContact ND1-ND1 3.16Å |
| 48 | N | 86.6 | Confident | 83.3 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.7 | 179.4 | -56 | -84 | 0 | 0 | 0 | 108.2 | V37 T38 E60 H61 P118 | V37-N48 CarbonylContact O-C 3.6Å; V37-N48 WeakPolarHBondContact O-CA 3.41Å; T38-N48 VanDerWaalsContact CG2-OD1 3.3Å; T38-N48 WeakPolarHBondContact CG2-OD1 3.14Å; T38-N48 PolarHBondContact OG1-OD1 3.07Å; N48-E60 WeakPolarHBondContact O-CA 3.33Å; N48-H61 HydrophobicContact CB-CB 4.33Å; N48-H61 PolarHBondContact N-O 2.8Å; N48-H61 PolarHBondContact O-N 3.23Å; N48-P118 HydrophobicContact CB-CG 3.76Å |
| 49 | F | 86.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.8 | 176.4 | -54.2 | -91.6 | 0 | 0 | 0 | 107.9 | Y11 V15 W36 V37 I39 H47 F58 E59 E60 I353 | Y11-F49 HydrophobicContact CE1-CD1 4.32Å; V15-F49 HydrophobicContact CG2-CE2 4.36Å; V15-F49 HydrophobicContact CG2-CZ 3.77Å; W36-F49 CarbonylContact C-O 3.53Å; W36-F49 VanDerWaalsContact CA-O 3.3Å; W36-F49 WeakPolarHBondContact CA-O 3.34Å; V37-F49 HydrophobicContact CB-CB 4.24Å; V37-F49 HydrophobicContact CB-CD2 4.34Å; V37-F49 PolarHBondContact N-O 2.81Å; V37-F49 PolarHBondContact O-N 3.22Å; I39-F49 HydrophobicContact CD1-CE2 3.76Å; I39-F49 HydrophobicContact CG1-CE2 4.15Å; H47-F49 HydrophobicContact CB-CE2 3.69Å; H47-F49 HydrophobicContact CB-CZ 3.98Å; F49-F58 HydrophobicContact CB-CB 4.26Å; F49-F58 HydrophobicContact CB-CD1 3.48Å; F49-F58 VanDerWaalsContact CB-CD1 3.48Å; F49-F58 HydrophobicContact CB-CE1 4.22Å; F49-F58 HydrophobicContact CB-CG 4.26Å; F49-E59 CarbonylContact C-O 3.41Å; F49-E59 VanDerWaalsContact CA-O 3.26Å; F49-E59 WeakPolarHBondContact CA-O 3.47Å; F49-E60 HydrophobicContact CD1-CB 4.14Å; F49-E60 HydrophobicContact CD1-CG 4.09Å; F49-E60 HydrophobicContact CE1-CB 4.12Å; F49-E60 HydrophobicContact CE1-CG 3.67Å; F49-E60 HydrophobicContact CZ-CG 4.25Å; F49-I353 HydrophobicContact CB-CD1 4.23Å; F49-I353 HydrophobicContact CD1-CG2 4.04Å; F49-I353 HydrophobicContact CD2-CD1 3.94Å; F49-I353 HydrophobicContact CE1-CG2 3.78Å; F49-I353 HydrophobicContact CE2-CG2 4.43Å; F49-I353 HydrophobicContact CG-CD1 3.97Å; F49-I353 HydrophobicContact CG-CG2 4.47Å; F49-I353 HydrophobicContact CZ-CG2 4.02Å |
| 50 | H | 86 | Confident | 82.9 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.4 | -179.9 | 179.9 | -139 | 0 | 0 | 0 | 111.7 | E34 W36 F58 E59 | E34-H50 IonicContact OE2-NE2 3.95Å; W36-H50 HydrophobicContact CD2-CB 4.18Å; W36-H50 AromaticContact CD2-CD2 3.61Å; W36-H50 AromaticContact CE2-CD2 3.1Å; W36-H50 AromaticContact CE2-CG 3.82Å; W36-H50 AromaticContact CE2-NE2 3.72Å; W36-H50 HydrophobicContact CE3-CB 3.63Å; W36-H50 AromaticContact CE3-CD2 3.97Å; W36-H50 HydrophobicContact CH2-CB 3.46Å; W36-H50 VanDerWaalsContact CH2-CB 3.46Å; W36-H50 AromaticContact CH2-CD2 3.43Å; W36-H50 VanDerWaalsContact CH2-CD2 3.43Å; W36-H50 WeakPolarHBondContact CH2-CD2 3.31Å; W36-H50 AromaticContact CH2-CG 3.24Å; W36-H50 AromaticContact CH2-ND1 3.83Å; W36-H50 HydrophobicContact CZ2-CB 4.04Å; W36-H50 AromaticContact CZ2-CD2 3.02Å; W36-H50 WeakPolarHBondContact CZ2-CD2 3.17Å; W36-H50 AromaticContact CZ2-CE1 3.94Å; W36-H50 AromaticContact CZ2-CG 3.39Å; W36-H50 AromaticContact CZ2-ND1 3.97Å; W36-H50 AromaticContact CZ2-NE2 3.39Å; W36-H50 WeakPolarHBondContact CZ2-NE2 3.02Å; W36-H50 HydrophobicContact CZ3-CB 3.28Å; W36-H50 AromaticContact CZ3-CD2 3.93Å; W36-H50 AromaticContact CZ3-CG 3.63Å; W36-H50 AromaticContact NE1-CD2 3.54Å; W36-H50 AromaticContact NE1-NE2 3.93Å; H50-F58 VanDerWaalsContact C-CD1 3.45Å; H50-F58 CarbonylContact O-C 3.6Å; H50-F58 WeakPolarHBondContact O-CA 3.44Å; H50-E59 HydrophobicContact CB-CB 4.33Å; H50-E59 PolarHBondContact N-O 3.49Å; H50-E59 PolarHBondContact O-N 2.81Å |
| 51 | C | 82.1 | Confident | 82.8 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 117.3 | 169 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | E34 T35 D53 S56 F58 | E34-C51 WeakPolarHBondContact CA-O 3.28Å; T35-C51 PolarHBondContact N-O 3.14Å; T35-C51 PolarHBondContact O-N 3.12Å; C51-D53 PolarHBondContact SG-O 3.36Å; C51-S56 PolarHBondContact SG-O 2.85Å; C51-S56 VanDerWaalsContact SG-O 3.35Å; C51-F58 HydrophobicContact CB-CD1 3.77Å; C51-F58 HydrophobicContact CB-CD2 3.55Å; C51-F58 HydrophobicContact CB-CE1 3.63Å; C51-F58 HydrophobicContact CB-CE2 3.32Å; C51-F58 HydrophobicContact CB-CG 3.77Å; C51-F58 HydrophobicContact CB-CZ 3.4Å; C51-F58 VanDerWaalsContact CB-CZ 3.4Å |
| 52 | A | 79.3 | Confident | 82.6 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -88.8 | -21.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V32 E34 | V32-A52 WeakPolarHBondContact CG1-O 3.3Å; E34-A52 HydrophobicContact CG-CB 4.18Å |
| 53 | D | 77.1 | Confident | 82.6 | Confident | 63 Ų | 63 | 42 Ų | 42 | 34% | 0.337 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -131.1 | 124.3 | 176.3 | 161.7 | 20.4 | 0 | 0 | 0 | 108.5 | C51 N55 S56 | C51-D53 PolarHBondContact SG-O 3.36Å; D53-N55 PolarHBondContact O-N 3.42Å; D53-N55 PolarHBondContact OD1-N 3.49Å; D53-N55 PolarHBondContact OD1-ND2 2.78Å; D53-N55 VanDerWaalsContact OD1-ND2 3.12Å; D53-S56 WeakPolarHBondContact O-CB 3.23Å; D53-S56 PolarHBondContact O-N 3.25Å; D53-S56 PolarHBondContact OD2-OG 3.43Å; D53-S56 VanDerWaalsContact OD2-OG 3.07Å |
| 54 | P | 69.8 | Low | 82.6 | Confident | 51 Ų | 51 | 42.8 Ų | 42.8 | 33% | 0.331 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -17.8 | -179.3 | -27 | 33.7 | 0 | 0 | 0 | 116.2 | I10 Q344 | I10-P54 WeakPolarHBondContact CD1-O 3.2Å; P54-Q344 VanDerWaalsContact CA-NE2 3.27Å; P54-Q344 HydrophobicContact CB-CG 4.45Å; P54-Q344 PolarHBondContact O-NE2 3.42Å |
| 55 | N | 71.7 | Confident | 82.5 | Confident | 98 Ų | 98 | 42.9 Ų | 42.9 | 52% | 0.524 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -0.2 | 177.7 | -49.5 | -74.6 | 0 | 0 | 0 | 113.8 | D53 K357 | D53-N55 PolarHBondContact O-N 3.42Å; D53-N55 PolarHBondContact OD1-N 3.49Å; D53-N55 PolarHBondContact OD1-ND2 2.78Å; D53-N55 VanDerWaalsContact OD1-ND2 3.12Å; N55-K357 PolarHBondContact OD1-NZ 2.93Å |
| 56 | S | 73.8 | Confident | 82.4 | Confident | 48 Ų | 48 | 43.5 Ų | 43.5 | 34% | 0.336 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -98.8 | 149.6 | 178.2 | -70.8 | 0 | 0 | 0 | 0 | 111.2 | C51 D53 | C51-S56 PolarHBondContact SG-O 2.85Å; C51-S56 VanDerWaalsContact SG-O 3.35Å; D53-S56 WeakPolarHBondContact O-CB 3.23Å; D53-S56 PolarHBondContact O-N 3.25Å; D53-S56 PolarHBondContact OD2-OG 3.43Å; D53-S56 VanDerWaalsContact OD2-OG 3.07Å |
| 57 | P | 74.5 | Confident | 82.2 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 156.4 | 175.2 | 28 | -34.2 | 0 | 0 | 0 | 111.1 | Y11 | Y11-P57 HydrophobicContact CD2-CB 3.84Å; Y11-P57 HydrophobicContact CE2-CB 4.22Å |
| 58 | F | 83.4 | Confident | 82 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -75 | 138.3 | 174.9 | -82.7 | -114.4 | 0 | 0 | 0 | 111.1 | Y11 T35 V37 F49 H50 C51 I346 V355 | Y11-F58 HydrophobicContact CD1-CB 3.99Å; Y11-F58 HydrophobicContact CD1-CD2 4.29Å; Y11-F58 HydrophobicContact CD1-CG 4.35Å; Y11-F58 HydrophobicContact CD2-CB 4.06Å; Y11-F58 VanDerWaalsContact CD2-N 3.25Å; Y11-F58 HydrophobicContact CE1-CB 3.76Å; Y11-F58 HydrophobicContact CE1-CG 4.48Å; Y11-F58 HydrophobicContact CE2-CB 3.81Å; Y11-F58 VanDerWaalsContact CE2-O 3.22Å; Y11-F58 WeakPolarHBondContact CE2-O 3.4Å; Y11-F58 HydrophobicContact CG-CB 4.11Å; Y11-F58 HydrophobicContact CG-CD2 4.2Å; Y11-F58 PolarHBondContact OH-O 3.28Å; T35-F58 HydrophobicContact CG2-CE1 4.32Å; T35-F58 HydrophobicContact CG2-CZ 3.95Å; V37-F58 HydrophobicContact CG2-CE1 4.13Å; F49-F58 HydrophobicContact CB-CB 4.26Å; F49-F58 HydrophobicContact CB-CD1 3.48Å; F49-F58 VanDerWaalsContact CB-CD1 3.48Å; F49-F58 HydrophobicContact CB-CE1 4.22Å; F49-F58 HydrophobicContact CB-CG 4.26Å; H50-F58 VanDerWaalsContact C-CD1 3.45Å; H50-F58 CarbonylContact O-C 3.6Å; H50-F58 WeakPolarHBondContact O-CA 3.44Å; C51-F58 HydrophobicContact CB-CD1 3.77Å; C51-F58 HydrophobicContact CB-CD2 3.55Å; C51-F58 HydrophobicContact CB-CE1 3.63Å; C51-F58 HydrophobicContact CB-CE2 3.32Å; C51-F58 HydrophobicContact CB-CG 3.77Å; C51-F58 HydrophobicContact CB-CZ 3.4Å; C51-F58 VanDerWaalsContact CB-CZ 3.4Å; F58-I346 HydrophobicContact CZ-CD1 4.45Å; F58-V355 HydrophobicContact CD2-CG2 3.99Å; F58-V355 HydrophobicContact CE2-CB 4.15Å; F58-V355 HydrophobicContact CE2-CG1 3.92Å; F58-V355 HydrophobicContact CE2-CG2 3.62Å; F58-V355 HydrophobicContact CZ-CG2 4.07Å |
| 59 | E | 84.3 | Confident | 81.9 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 138.6 | 164.7 | -59.8 | -175.9 | -175.5 | 0 | 0 | 109.4 | F49 H50 H61 S116 | F49-E59 CarbonylContact C-O 3.41Å; F49-E59 VanDerWaalsContact CA-O 3.26Å; F49-E59 WeakPolarHBondContact CA-O 3.47Å; H50-E59 HydrophobicContact CB-CB 4.33Å; H50-E59 PolarHBondContact N-O 3.49Å; H50-E59 PolarHBondContact O-N 2.81Å; E59-H61 IonicContact OE2-NE2 3.79Å; E59-S116 WeakPolarHBondContact OE2-CB 3.47Å |
| 60 | E | 85.5 | Confident | 81.4 | Confident | 59 Ų | 59 | 60 Ų | 60 | 28% | 0.276 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130 | -179.1 | -176.7 | 168.2 | -174.8 | 0 | 0 | 111 | S13 H47 N48 F49 H62 | S13-E60 PolarHBondContact OG-OE2 3.48Å; H47-E60 IonicContact ND1-OE1 3Å; H47-E60 PolarHBondContact ND1-OE1 3.21Å; N48-E60 WeakPolarHBondContact O-CA 3.33Å; F49-E60 HydrophobicContact CD1-CB 4.14Å; F49-E60 HydrophobicContact CD1-CG 4.09Å; F49-E60 HydrophobicContact CE1-CB 4.12Å; F49-E60 HydrophobicContact CE1-CG 3.67Å; F49-E60 HydrophobicContact CZ-CG 4.25Å; E60-H62 IonicContact OE1-CE1 3.87Å; E60-H62 PolarHBondContact OE1-CE1 3.08Å; E60-H62 IonicContact OE1-ND1 3.82Å; E60-H62 IonicContact OE1-NE2 2.97Å; E60-H62 PolarHBondContact OE1-NE2 2.88Å |
| 61 | H | 86.2 | Confident | 80.8 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.9 | 179 | -58.2 | -81.6 | 0 | 0 | 0 | 111 | N48 E59 S116 S117 | N48-H61 HydrophobicContact CB-CB 4.33Å; N48-H61 PolarHBondContact N-O 2.8Å; N48-H61 PolarHBondContact O-N 3.23Å; E59-H61 IonicContact OE2-NE2 3.79Å; H61-S116 PolarHBondContact CD2-O 2.8Å; H61-S116 PolarHBondContact CE1-O 3.29Å; H61-S116 PolarHBondContact NE2-O 2.79Å; H61-S117 PolarHBondContact CE1-OG 3.32Å; H61-S117 PolarHBondContact ND1-OG 2.82Å |
| 62 | H | 85.6 | Confident | 80.4 | Confident | 123 Ų | 123 | 62.9 Ų | 62.9 | 57% | 0.569 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.8 | 178.8 | -57 | -80.2 | 0 | 0 | 0 | 111.8 | M46 H47 E60 | M46-H62 WeakPolarHBondContact O-CA 3.34Å; H47-H62 AromaticContact CE1-CE1 3.7Å; H47-H62 AromaticContact CE1-ND1 3.48Å; H47-H62 PolarHBondContact CE1-ND1 2.99Å; H47-H62 AromaticContact ND1-CE1 3.31Å; H47-H62 PolarHBondContact ND1-CE1 3.01Å; H47-H62 VanDerWaalsContact ND1-CE1 3.31Å; H47-H62 AromaticContact ND1-ND1 3.16Å; H47-H62 PolarHBondContact ND1-ND1 3.16Å; H47-H62 VanDerWaalsContact ND1-ND1 3.16Å; E60-H62 IonicContact OE1-CE1 3.87Å; E60-H62 PolarHBondContact OE1-CE1 3.08Å; E60-H62 IonicContact OE1-ND1 3.82Å; E60-H62 IonicContact OE1-NE2 2.97Å; E60-H62 PolarHBondContact OE1-NE2 2.88Å |
| 63 | A | 85.6 | Confident | 80.5 | Confident | 32 Ų | 32 | 63 Ų | 63 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | M46 | M46-A63 HydrophobicContact CB-CB 4.27Å; M46-A63 HydrophobicContact CE-CB 3.6Å; M46-A63 PolarHBondContact N-O 3.39Å; M46-A63 PolarHBondContact O-N 2.74Å |
| 64 | H | 86.5 | Confident | 80.8 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 18% | 0.181 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 129.3 | 175.9 | -161.1 | -68.6 | 0 | 0 | 0 | 109.5 | S43 R66 R67 | S43-H64 PolarHBondContact O-CE1 2.6Å; H64-R66 VanDerWaalsContact CE1-CG 3.43Å; H64-R66 WeakPolarHBondContact CE1-CG 3.17Å; H64-R66 WeakPolarHBondContact ND1-CB 3.25Å; H64-R66 WeakPolarHBondContact ND1-CG 3.47Å; H64-R66 PolarHBondContact ND1-N 2.86Å; H64-R66 VanDerWaalsContact ND1-N 3.15Å; H64-R66 PolarHBondContact O-N 2.9Å; H64-R67 HydrophobicContact CB-CG 4.42Å; H64-R67 WeakPolarHBondContact O-CB 3.32Å; H64-R67 PolarHBondContact O-N 3.43Å |
| 65 | M | 86.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -56.3 | -34.7 | -179.4 | -83.4 | -171.9 | 52.7 | 0 | 0 | 112.8 | L40 G44 M46 R67 I68 Y69 L72 V78 V95 V97 F108 | L40-M65 HydrophobicContact CD1-CG 3.85Å; L40-M65 HydrophobicContact CD1-SD 3.44Å; L40-M65 WeakPolarHBondContact CD1-SD 3.47Å; L40-M65 HydrophobicContact CD2-SD 3.75Å; L40-M65 HydrophobicContact CG-SD 4.22Å; G44-M65 WeakPolarHBondContact O-CB 3.42Å; G44-M65 PolarHBondContact O-N 2.91Å; M46-M65 HydrophobicContact CG-CG 4.1Å; M46-M65 HydrophobicContact SD-CG 3.7Å; M65-R67 PolarHBondContact O-N 3.08Å; M65-R67 VanDerWaalsContact O-N 3.08Å; M65-I68 CarbonylContact O-C 3.51Å; M65-I68 WeakPolarHBondContact O-CG1 3.12Å; M65-I68 PolarHBondContact O-N 3.48Å; M65-Y69 HydrophobicContact CE-CD1 4.26Å; M65-Y69 PolarHBondContact O-N 3.03Å; M65-L72 HydrophobicContact CB-CD2 3.62Å; M65-L72 HydrophobicContact CE-CD2 4.3Å; M65-V78 HydrophobicContact CE-CG2 4.5Å; M65-V78 HydrophobicContact SD-CG2 3.89Å; M65-V95 HydrophobicContact CE-CB 4.36Å; M65-V95 HydrophobicContact CE-CG1 4.06Å; M65-V95 HydrophobicContact CE-CG2 4.35Å; M65-V95 HydrophobicContact SD-CG1 4.16Å; M65-V95 HydrophobicContact SD-CG2 4.33Å; M65-V97 HydrophobicContact CE-CG2 4.49Å; M65-F108 HydrophobicContact CE-CE1 4.34Å; M65-F108 HydrophobicContact CE-CE2 3.55Å; M65-F108 HydrophobicContact CE-CZ 3.4Å |
| 66 | R | 84 | Confident | 82.2 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 33% | 0.328 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -54.4 | -25.3 | 173.9 | -66.6 | -173.8 | -167.8 | 167.5 | 5.1 | 115.2 | H64 I68 L72 D74 | H64-R66 VanDerWaalsContact CE1-CG 3.43Å; H64-R66 WeakPolarHBondContact CE1-CG 3.17Å; H64-R66 WeakPolarHBondContact ND1-CB 3.25Å; H64-R66 WeakPolarHBondContact ND1-CG 3.47Å; H64-R66 PolarHBondContact ND1-N 2.86Å; H64-R66 VanDerWaalsContact ND1-N 3.15Å; H64-R66 PolarHBondContact O-N 2.9Å; R66-I68 PolarHBondContact O-N 3Å; R66-L72 WeakPolarHBondContact CD-O 3.35Å; R66-L72 HydrophobicContact CG-CB 3.96Å; R66-L72 HydrophobicContact CG-CD2 3.76Å; R66-L72 HydrophobicContact CG-CG 4.1Å; R66-L72 VanDerWaalsContact CG-O 3.31Å; R66-L72 WeakPolarHBondContact CG-O 3.32Å; R66-D74 IonicContact CZ-OD1 3.74Å; R66-D74 IonicContact NH1-OD1 3.13Å; R66-D74 PolarHBondContact NH1-OD1 3.13Å; R66-D74 VanDerWaalsContact NH2-CA 3.34Å; R66-D74 IonicContact NH2-OD1 3.65Å; R66-D74 PolarHBondContact NH2-OD1 3.34Å |
| 67 | R | 83.3 | Confident | 82.9 | Confident | 209 Ų | 209 | 68 Ų | 68 | 79% | 0.789 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -70.8 | -20.2 | 177 | -65.4 | -176.5 | 178 | 177.9 | -0.2 | 112.6 | H64 M65 | H64-R67 HydrophobicContact CB-CG 4.42Å; H64-R67 WeakPolarHBondContact O-CB 3.32Å; H64-R67 PolarHBondContact O-N 3.43Å; M65-R67 PolarHBondContact O-N 3.08Å; M65-R67 VanDerWaalsContact O-N 3.08Å |
| 68 | I | 83.2 | Confident | 83.6 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -26.1 | -174.1 | 56.3 | 175.2 | 0 | 0 | 0 | 112.6 | M46 M65 R66 P70 F108 W120 F122 | M46-I68 HydrophobicContact CE-CD1 4.21Å; M65-I68 CarbonylContact O-C 3.51Å; M65-I68 WeakPolarHBondContact O-CG1 3.12Å; M65-I68 PolarHBondContact O-N 3.48Å; R66-I68 PolarHBondContact O-N 3Å; I68-P70 WeakPolarHBondContact O-CD 3.48Å; I68-F108 HydrophobicContact CD1-CD1 3.6Å; I68-F108 HydrophobicContact CD1-CE1 3.8Å; I68-F108 HydrophobicContact CG1-CD1 4.19Å; I68-F108 HydrophobicContact CG1-CE1 3.93Å; I68-W120 HydrophobicContact CD1-CB 3.47Å; I68-W120 VanDerWaalsContact CD1-CB 3.47Å; I68-W120 HydrophobicContact CD1-CG 4.3Å; I68-F122 WeakPolarHBondContact O-CB 3.47Å |
| 69 | Y | 84.1 | Confident | 83.9 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | trans | -109.4 | 100 | 180 | -173.3 | -148.2 | 0 | 0 | 0 | 110.5 | M65 S71 L72 V97 A106 F108 F122 D125 | M65-Y69 HydrophobicContact CE-CD1 4.26Å; M65-Y69 PolarHBondContact O-N 3.03Å; Y69-S71 PolarHBondContact O-N 3.03Å; Y69-L72 HydrophobicContact CD1-CB 3.58Å; Y69-L72 HydrophobicContact CD1-CD1 3.8Å; Y69-L72 HydrophobicContact CD1-CG 4.21Å; Y69-L72 HydrophobicContact CE1-CB 4.22Å; Y69-L72 HydrophobicContact CE1-CD1 4.01Å; Y69-L72 HydrophobicContact CG-CB 4.22Å; Y69-L72 WeakPolarHBondContact O-CB 3.26Å; Y69-L72 PolarHBondContact O-N 3.1Å; Y69-V97 HydrophobicContact CE1-CG2 4.23Å; Y69-A106 HydrophobicContact CE1-CB 4.29Å; Y69-A106 HydrophobicContact CE2-CB 4.48Å; Y69-F108 HydrophobicContact CD1-CZ 4.27Å; Y69-F108 HydrophobicContact CG-CE1 4.4Å; Y69-F108 AromaticContact CG-CZ 3.97Å; Y69-F108 HydrophobicContact CG-CZ 3.97Å; Y69-F122 AromaticContact CD2-CD2 3.67Å; Y69-F122 HydrophobicContact CD2-CD2 3.67Å; Y69-F122 AromaticContact CD2-CE2 3.48Å; Y69-F122 HydrophobicContact CD2-CE2 3.48Å; Y69-F122 VanDerWaalsContact CD2-CE2 3.48Å; Y69-F122 HydrophobicContact CD2-CG 4.3Å; Y69-F122 AromaticContact CD2-CZ 3.98Å; Y69-F122 HydrophobicContact CD2-CZ 3.98Å; Y69-F122 HydrophobicContact CE2-CD2 4.26Å; Y69-F122 AromaticContact CE2-CE2 3.59Å; Y69-F122 HydrophobicContact CE2-CE2 3.59Å; Y69-F122 AromaticContact CE2-CZ 3.91Å; Y69-F122 HydrophobicContact CE2-CZ 3.91Å; Y69-F122 HydrophobicContact CG-CD2 4.43Å; Y69-D125 HydrophobicContact CE2-CB 4.21Å; Y69-D125 PolarHBondContact OH-OD2 2.86Å | ||
| 70 | P | 75.7 | Confident | 84.2 | Confident | 111 Ų | 111 | 61.5 Ų | 61.5 | 72% | 0.721 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -30.8 | -172.6 | -24.9 | 34.7 | 0 | 0 | 0 | 113.8 | I68 L72 | I68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-L72 VanDerWaalsContact C-N 3.29Å; P70-L72 PolarHBondContact O-N 3.28Å |
| 71 | S | 73.8 | Confident | 84.6 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6 | -176.2 | -47.9 | 0 | 0 | 0 | 0 | 113.7 | Y69 S73 | Y69-S71 PolarHBondContact O-N 3.03Å; S71-S73 PolarHBondContact O-N 2.67Å |
| 72 | L | 75.2 | Confident | 84.9 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | trans | -77.7 | 89.5 | -178.1 | -157.9 | 76 | 0 | 0 | 0 | 110.8 | M65 R66 Y69 P70 A76 V97 | M65-L72 HydrophobicContact CB-CD2 3.62Å; M65-L72 HydrophobicContact CE-CD2 4.3Å; R66-L72 WeakPolarHBondContact CD-O 3.35Å; R66-L72 HydrophobicContact CG-CB 3.96Å; R66-L72 HydrophobicContact CG-CD2 3.76Å; R66-L72 HydrophobicContact CG-CG 4.1Å; R66-L72 VanDerWaalsContact CG-O 3.31Å; R66-L72 WeakPolarHBondContact CG-O 3.32Å; Y69-L72 HydrophobicContact CD1-CB 3.58Å; Y69-L72 HydrophobicContact CD1-CD1 3.8Å; Y69-L72 HydrophobicContact CD1-CG 4.21Å; Y69-L72 HydrophobicContact CE1-CB 4.22Å; Y69-L72 HydrophobicContact CE1-CD1 4.01Å; Y69-L72 HydrophobicContact CG-CB 4.22Å; Y69-L72 WeakPolarHBondContact O-CB 3.26Å; Y69-L72 PolarHBondContact O-N 3.1Å; P70-L72 VanDerWaalsContact C-N 3.29Å; P70-L72 PolarHBondContact O-N 3.28Å; L72-A76 HydrophobicContact CD1-CB 3.4Å; L72-A76 HydrophobicContact CG-CB 3.84Å; L72-V97 HydrophobicContact CD1-CB 4.49Å; L72-V97 HydrophobicContact CD1-CG1 3.52Å; L72-V97 HydrophobicContact CD1-CG2 4.11Å | ||
| 73 | S | 80.9 | Confident | 85.1 | Confident | 47 Ų | 47 | 53.6 Ų | 53.6 | 33% | 0.329 | 27% | 0.273 | S | S | . | . | trans | -77.7 | 175.7 | 176.4 | 70.4 | 0 | 0 | 0 | 0 | 113.1 | S71 Q75 A76 | S71-S73 PolarHBondContact O-N 2.67Å; S73-Q75 PolarHBondContact O-N 3.45Å; S73-Q75 PolarHBondContact OG-N 3.08Å; S73-A76 VanDerWaalsContact O-CB 3.32Å; S73-A76 WeakPolarHBondContact O-CB 3.25Å; S73-A76 PolarHBondContact O-N 3.22Å | ||
| 74 | D | 82.1 | Confident | 85.3 | Confident | 119 Ų | 119 | 52 Ų | 52 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.8 | 170.7 | -78.8 | -49.6 | 0 | 0 | 0 | 114.9 | R66 | R66-D74 IonicContact CZ-OD1 3.74Å; R66-D74 IonicContact NH1-OD1 3.13Å; R66-D74 PolarHBondContact NH1-OD1 3.13Å; R66-D74 VanDerWaalsContact NH2-CA 3.34Å; R66-D74 IonicContact NH2-OD1 3.65Å; R66-D74 PolarHBondContact NH2-OD1 3.34Å |
| 75 | Q | 83.7 | Confident | 85.1 | Confident | 115 Ų | 115 | 52.8 Ų | 52.8 | 54% | 0.537 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -8.2 | 179.3 | -61.3 | -179.8 | -9.2 | 0 | 0 | 112.4 | S73 | S73-Q75 PolarHBondContact O-N 3.45Å; S73-Q75 PolarHBondContact OG-N 3.08Å |
| 76 | A | 87.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 140.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L72 S73 V97 S98 V99 | L72-A76 HydrophobicContact CD1-CB 3.4Å; L72-A76 HydrophobicContact CG-CB 3.84Å; S73-A76 VanDerWaalsContact O-CB 3.32Å; S73-A76 WeakPolarHBondContact O-CB 3.25Å; S73-A76 PolarHBondContact O-N 3.22Å; A76-V97 HydrophobicContact CB-CG1 3.92Å; A76-S98 CarbonylContact C-O 3.6Å; A76-S98 VanDerWaalsContact CA-O 3.3Å; A76-S98 WeakPolarHBondContact CA-O 3.35Å; A76-V99 HydrophobicContact CB-CG2 3.86Å |
| 77 | R | 88.8 | Confident | 84.1 | Confident | 130 Ų | 130 | 59.6 Ų | 59.6 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.9 | 173.2 | -64.9 | -65.7 | -176.8 | -133.6 | 2.6 | 109.4 | L42 V79 V97 S98 | L42-R77 WeakPolarHBondContact O-CA 3.32Å; R77-V79 PolarHBondContact O-N 2.96Å; R77-V97 CarbonylContact O-C 3.49Å; R77-V97 WeakPolarHBondContact O-CA 3.44Å; R77-S98 PolarHBondContact N-O 2.91Å; R77-S98 PolarHBondContact O-N 3.28Å |
| 78 | V | 90 | Very high | 83.4 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 126.3 | 162.8 | 174.1 | 0 | 0 | 0 | 0 | 107.1 | L40 L42 M65 V95 | L40-V78 HydrophobicContact CD1-CG2 4.34Å; L40-V78 HydrophobicContact CD2-CB 4.48Å; L40-V78 HydrophobicContact CD2-CG1 3.68Å; L40-V78 HydrophobicContact CD2-CG2 4.12Å; L40-V78 HydrophobicContact CG-CG1 4.02Å; L40-V78 HydrophobicContact CG-CG2 4.22Å; L42-V78 WeakPolarHBondContact CD2-O 3.5Å; L42-V78 PolarHBondContact O-N 2.87Å; M65-V78 HydrophobicContact CE-CG2 4.5Å; M65-V78 HydrophobicContact SD-CG2 3.89Å; V78-V95 HydrophobicContact CB-CG1 4.33Å; V78-V95 HydrophobicContact CG1-CG1 3.69Å; V78-V95 HydrophobicContact CG2-CG1 3.94Å |
| 79 | V | 89.3 | Confident | 82.9 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 29% | 0.291 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -58.2 | 179.5 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | R77 L96 | R77-V79 PolarHBondContact O-N 2.96Å; V79-L96 HydrophobicContact CB-CB 4.21Å; V79-L96 PolarHBondContact N-O 3Å |
| 80 | A | 91.2 | Very high | 82.7 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 165.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | N22 L96 I135 | N22-A80 VanDerWaalsContact OD1-C 3.24Å; N22-A80 WeakPolarHBondContact OD1-CA 2.88Å; A80-L96 HydrophobicContact CB-CD1 4.39Å; A80-L96 WeakPolarHBondContact O-CB 3.45Å; A80-L96 PolarHBondContact O-N 2.85Å; A80-I135 HydrophobicContact CB-CG2 3.75Å |
| 81 | S | 92.9 | Very high | 83.2 | Confident | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 159.8 | 179.3 | 56.8 | 0 | 0 | 0 | 0 | 111 | N22 H24 Y94 I135 | N22-S81 WeakPolarHBondContact CB-OG 3.31Å; N22-S81 PolarHBondContact OD1-N 3.29Å; N22-S81 PolarHBondContact OD1-OG 2.93Å; H24-S81 PolarHBondContact CE1-O 2.89Å; H24-S81 PolarHBondContact CE1-OG 2.85Å; H24-S81 PolarHBondContact NE2-OG 3.47Å; S81-Y94 CarbonylContact C-O 3.58Å; S81-Y94 WeakPolarHBondContact CA-O 3.27Å; S81-Y94 VanDerWaalsContact CB-O 3.23Å; S81-Y94 WeakPolarHBondContact CB-O 3.28Å; S81-I135 VanDerWaalsContact C-CG2 3.5Å; S81-I135 VanDerWaalsContact CA-CG2 3.48Å |
| 82 | C | 92.3 | Very high | 84 | Confident | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.081 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 134.7 | 179.2 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | Y94 I135 R137 V145 | C82-Y94 PolarHBondContact N-O 2.89Å; C82-Y94 PolarHBondContact O-N 3.02Å; C82-I135 HydrophobicContact CB-CD1 4.27Å; C82-I135 HydrophobicContact CB-CG1 3.99Å; C82-I135 HydrophobicContact CB-CG2 4.22Å; C82-R137 PolarHBondContact SG-N 3.24Å; C82-V145 HydrophobicContact CB-CG1 4.48Å |
| 83 | L | 90.5 | Very high | 84.8 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.7 | 174.1 | -163.9 | 74.3 | 0 | 0 | 0 | 111.8 | H24 F26 W91 Q92 L93 F110 | H24-L83 HydrophobicContact CB-CB 3.97Å; H24-L83 HydrophobicContact CB-CD2 4.01Å; F26-L83 HydrophobicContact CB-CD2 4.14Å; F26-L83 HydrophobicContact CD1-CD2 3.36Å; F26-L83 HydrophobicContact CE1-CD2 3.98Å; F26-L83 HydrophobicContact CG-CD2 3.91Å; L83-W91 HydrophobicContact CD1-CB 4.05Å; L83-W91 HydrophobicContact CD2-CB 4.46Å; L83-W91 HydrophobicContact CD2-CG 4.41Å; L83-W91 HydrophobicContact CG-CB 4.3Å; L83-Q92 WeakPolarHBondContact CA-O 3.39Å; L83-L93 HydrophobicContact CB-CD1 4.38Å; L83-L93 HydrophobicContact CD1-CB 3.74Å; L83-L93 HydrophobicContact CD1-CD1 3.87Å; L83-L93 HydrophobicContact CD1-CG 4.42Å; L83-F110 HydrophobicContact CD1-CD1 4.17Å; L83-F110 HydrophobicContact CD1-CE1 3.54Å; L83-F110 HydrophobicContact CD2-CE1 3.95Å; L83-F110 HydrophobicContact CD2-CZ 4.29Å; L83-F110 HydrophobicContact CG-CE1 4.29Å |
| 84 | I | 89 | Confident | 85.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.2 | 174.1 | -56.6 | -171.9 | 0 | 0 | 0 | 109.1 | W91 Q92 Y94 R137 V145 | I84-W91 WeakPolarHBondContact O-CA 3.1Å; I84-Q92 PolarHBondContact N-O 2.82Å; I84-Q92 PolarHBondContact O-N 3.05Å; I84-Y94 HydrophobicContact CB-CE2 4.27Å; I84-Y94 HydrophobicContact CD1-CD2 4.25Å; I84-Y94 HydrophobicContact CD1-CE2 3.8Å; I84-Y94 HydrophobicContact CG1-CD2 4.26Å; I84-Y94 HydrophobicContact CG1-CE2 4.03Å; I84-R137 HydrophobicContact CD1-CB 4.39Å; I84-R137 HydrophobicContact CD1-CG 3.99Å; I84-R137 HydrophobicContact CG1-CB 4.26Å; I84-R137 HydrophobicContact CG1-CG 4.05Å; I84-V145 HydrophobicContact CD1-CG1 3.55Å; I84-V145 HydrophobicContact CG1-CG1 4.34Å |
| 85 | S | 83.5 | Confident | 86.1 | Confident | 54 Ų | 54 | 43.6 Ų | 43.6 | 38% | 0.378 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 137.3 | 170.8 | 69 | 0 | 0 | 0 | 0 | 110.6 | Q143 | S85-Q143 PolarHBondContact O-NE2 2.84Å; S85-Q143 VanDerWaalsContact O-NE2 3.11Å |
| 86 | T | 79.4 | Confident | 86.6 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 17% | 0.172 | 20% | 0.2 | C | C | . | . | trans | -100.8 | 167.5 | 169.6 | 71.4 | 0 | 0 | 0 | 0 | 110 | S88 Q90 Q92 | T86-S88 PolarHBondContact O-N 3.08Å; T86-S88 VanDerWaalsContact O-N 3.13Å; T86-Q90 WeakPolarHBondContact CB-O 3.45Å; T86-Q90 PolarHBondContact N-O 3.05Å; T86-Q90 VanDerWaalsContact OG1-C 3.24Å; T86-Q90 WeakPolarHBondContact OG1-CB 3.11Å; T86-Q90 PolarHBondContact OG1-O 2.79Å; T86-Q92 HydrophobicContact CG2-CG 3.91Å | ||
| 87 | E | 70.2 | Confident | 86.8 | Confident | 203 Ų | 203 | 38.1 Ų | 38.1 | 95% | 0.949 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.8 | -175.1 | -62.7 | -177.4 | 170.6 | 0 | 0 | 114 | ||
| 88 | S | 68.4 | Low | 86.9 | Confident | 79 Ų | 79 | 33.2 Ų | 33.2 | 55% | 0.552 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 30.7 | -166.5 | 42.4 | 0 | 0 | 0 | 0 | 114.6 | T86 Q90 | T86-S88 PolarHBondContact O-N 3.08Å; T86-S88 VanDerWaalsContact O-N 3.13Å; S88-Q90 PolarHBondContact O-N 2.91Å; S88-Q90 VanDerWaalsContact O-N 3.13Å |
| 89 | N | 72.2 | Confident | 86.8 | Confident | 67 Ų | 67 | 34.6 Ų | 34.6 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 50.6 | 34.9 | -171.7 | -77.8 | -42.3 | 0 | 0 | 0 | 111.7 | R28 A29 W91 | R28-N89 HydrophobicContact CG-CB 4.48Å; A29-N89 PolarHBondContact N-OD1 3.13Å; A29-N89 PolarHBondContact O-ND2 3.19Å; N89-W91 HydrophobicContact CB-CH2 4.21Å; N89-W91 HydrophobicContact CB-CZ3 4.43Å; N89-W91 WeakPolarHBondContact O-CZ3 3.42Å |
| 90 | Q | 79.7 | Confident | 86.6 | Confident | 92 Ų | 92 | 39.8 Ų | 39.8 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | trans | -115.3 | 154.2 | 166.8 | -65 | -176.2 | -8.8 | 0 | 0 | 107.7 | T86 S88 A111 | T86-Q90 WeakPolarHBondContact CB-O 3.45Å; T86-Q90 PolarHBondContact N-O 3.05Å; T86-Q90 VanDerWaalsContact OG1-C 3.24Å; T86-Q90 WeakPolarHBondContact OG1-CB 3.11Å; T86-Q90 PolarHBondContact OG1-O 2.79Å; S88-Q90 PolarHBondContact O-N 2.91Å; S88-Q90 VanDerWaalsContact O-N 3.13Å; Q90-A111 HydrophobicContact CG-CB 4.48Å | ||
| 91 | W | 87 | Confident | 86.3 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 3% | 0.034 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.9 | 179.3 | -64.1 | -104.4 | 0 | 0 | 0 | 109.2 | F26 R28 L83 I84 N89 T109 F110 Y112 | F26-W91 HydrophobicContact CD2-CD2 4.12Å; F26-W91 AromaticContact CD2-CE2 3.47Å; F26-W91 VanDerWaalsContact CD2-CE2 3.47Å; F26-W91 HydrophobicContact CD2-CH2 4.28Å; F26-W91 AromaticContact CD2-CZ2 3.6Å; F26-W91 HydrophobicContact CD2-CZ2 3.6Å; F26-W91 AromaticContact CD2-NE1 3.57Å; F26-W91 HydrophobicContact CE2-CD2 4.28Å; F26-W91 HydrophobicContact CE2-CH2 4.31Å; F26-W91 HydrophobicContact CE2-CZ2 4.06Å; F26-W91 HydrophobicContact CE2-CZ3 4.48Å; F26-W91 AromaticContact CG-NE1 3.8Å; R28-W91 HydrophobicContact CB-CH2 3.62Å; R28-W91 HydrophobicContact CB-CZ2 4.06Å; R28-W91 HydrophobicContact CG-CH2 3.73Å; L83-W91 HydrophobicContact CD1-CB 4.05Å; L83-W91 HydrophobicContact CD2-CB 4.46Å; L83-W91 HydrophobicContact CD2-CG 4.41Å; L83-W91 HydrophobicContact CG-CB 4.3Å; I84-W91 WeakPolarHBondContact O-CA 3.1Å; N89-W91 HydrophobicContact CB-CH2 4.21Å; N89-W91 HydrophobicContact CB-CZ3 4.43Å; N89-W91 WeakPolarHBondContact O-CZ3 3.42Å; W91-T109 WeakPolarHBondContact O-CA 3.24Å; W91-F110 HydrophobicContact CB-CD1 3.61Å; W91-F110 HydrophobicContact CB-CD2 4.49Å; W91-F110 HydrophobicContact CB-CE1 3.1Å; W91-F110 HydrophobicContact CB-CE2 3.98Å; W91-F110 HydrophobicContact CB-CG 4.31Å; W91-F110 HydrophobicContact CB-CZ 3.25Å; W91-F110 AromaticContact CD1-CZ 3.92Å; W91-F110 HydrophobicContact CD2-CD2 4.41Å; W91-F110 HydrophobicContact CD2-CE1 4.09Å; W91-F110 AromaticContact CD2-CE2 3.41Å; W91-F110 HydrophobicContact CD2-CE2 3.41Å; W91-F110 VanDerWaalsContact CD2-CE2 3.41Å; W91-F110 AromaticContact CD2-CZ 3.21Å; W91-F110 HydrophobicContact CD2-CZ 3.21Å; W91-F110 AromaticContact CE3-CD2 3.72Å; W91-F110 HydrophobicContact CE3-CD2 3.72Å; W91-F110 HydrophobicContact CE3-CE1 4.33Å; W91-F110 AromaticContact CE3-CE2 2.97Å; W91-F110 HydrophobicContact CE3-CE2 2.97Å; W91-F110 AromaticContact CE3-CZ 3.36Å; W91-F110 HydrophobicContact CE3-CZ 3.36Å; W91-F110 HydrophobicContact CG-CD1 4.45Å; W91-F110 AromaticContact CG-CE1 3.6Å; W91-F110 HydrophobicContact CG-CE1 3.6Å; W91-F110 AromaticContact CG-CE2 3.87Å; W91-F110 HydrophobicContact CG-CE2 3.87Å; W91-F110 AromaticContact CG-CZ 3.18Å; W91-F110 HydrophobicContact CG-CZ 3.18Å; W91-F110 HydrophobicContact CH2-CE2 4.49Å; W91-F110 HydrophobicContact CZ3-CD2 4.34Å; W91-F110 AromaticContact CZ3-CE2 3.58Å; W91-F110 HydrophobicContact CZ3-CE2 3.58Å; W91-F110 HydrophobicContact CZ3-CZ 4.24Å; W91-F110 PolarHBondContact N-O 3.37Å; W91-F110 PolarHBondContact O-N 3.06Å; W91-Y112 HydrophobicContact CZ3-CD2 4.26Å |
| 92 | Q | 90.6 | Very high | 86.1 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117.7 | 177.8 | -66.1 | 172.7 | -10.7 | 0 | 0 | 107.8 | L83 I84 T86 Y94 M107 F108 T109 | L83-Q92 WeakPolarHBondContact CA-O 3.39Å; I84-Q92 PolarHBondContact N-O 2.82Å; I84-Q92 PolarHBondContact O-N 3.05Å; T86-Q92 HydrophobicContact CG2-CG 3.91Å; Q92-Y94 HydrophobicContact CB-CD2 4.24Å; Q92-Y94 HydrophobicContact CB-CE2 3.51Å; Q92-Y94 PolarHBondContact OE1-OH 3.03Å; Q92-M107 HydrophobicContact CB-SD 4.46Å; Q92-M107 HydrophobicContact CG-SD 4.37Å; Q92-F108 CarbonylContact C-O 3.55Å; Q92-F108 WeakPolarHBondContact CA-O 3.06Å; Q92-T109 HydrophobicContact CG-CG2 4.34Å |
| 93 | L | 92.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 116.4 | 171.3 | -178.5 | 71.8 | 0 | 0 | 0 | 108.6 | L83 V95 F108 W120 | L83-L93 HydrophobicContact CB-CD1 4.38Å; L83-L93 HydrophobicContact CD1-CB 3.74Å; L83-L93 HydrophobicContact CD1-CD1 3.87Å; L83-L93 HydrophobicContact CD1-CG 4.42Å; L93-V95 HydrophobicContact CD2-CG2 3.75Å; L93-V95 HydrophobicContact CG-CG2 3.71Å; L93-F108 HydrophobicContact CB-CB 4.34Å; L93-F108 PolarHBondContact N-O 3.24Å; L93-F108 PolarHBondContact O-N 3.47Å; L93-W120 HydrophobicContact CB-CH2 4.09Å; L93-W120 HydrophobicContact CB-CZ3 3.51Å; L93-W120 HydrophobicContact CD2-CE3 4.28Å; L93-W120 HydrophobicContact CD2-CH2 3.71Å; L93-W120 HydrophobicContact CD2-CZ3 3.49Å; L93-W120 VanDerWaalsContact CD2-CZ3 3.49Å; L93-W120 HydrophobicContact CG-CH2 4.42Å; L93-W120 HydrophobicContact CG-CZ3 4.11Å |
| 94 | Y | 94.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.5 | 172.8 | -63.3 | -99.1 | 0 | 0 | 0 | 107.9 | S81 C82 I84 Q92 L105 A106 M107 V145 L164 | S81-Y94 CarbonylContact C-O 3.58Å; S81-Y94 WeakPolarHBondContact CA-O 3.27Å; S81-Y94 VanDerWaalsContact CB-O 3.23Å; S81-Y94 WeakPolarHBondContact CB-O 3.28Å; C82-Y94 PolarHBondContact N-O 2.89Å; C82-Y94 PolarHBondContact O-N 3.02Å; I84-Y94 HydrophobicContact CB-CE2 4.27Å; I84-Y94 HydrophobicContact CD1-CD2 4.25Å; I84-Y94 HydrophobicContact CD1-CE2 3.8Å; I84-Y94 HydrophobicContact CG1-CD2 4.26Å; I84-Y94 HydrophobicContact CG1-CE2 4.03Å; Q92-Y94 HydrophobicContact CB-CD2 4.24Å; Q92-Y94 HydrophobicContact CB-CE2 3.51Å; Q92-Y94 PolarHBondContact OE1-OH 3.03Å; Y94-L105 HydrophobicContact CD1-CD1 4.29Å; Y94-A106 CarbonylContact C-O 3.59Å; Y94-A106 WeakPolarHBondContact CA-O 3.46Å; Y94-M107 HydrophobicContact CD1-CB 4.33Å; Y94-M107 HydrophobicContact CD1-CG 4.07Å; Y94-M107 HydrophobicContact CE1-CB 4.4Å; Y94-M107 HydrophobicContact CE1-CG 3.85Å; Y94-V145 HydrophobicContact CD1-CG1 3.96Å; Y94-V145 HydrophobicContact CD1-CG2 3.78Å; Y94-V145 HydrophobicContact CD2-CG1 3.58Å; Y94-V145 HydrophobicContact CE1-CG1 4.28Å; Y94-V145 HydrophobicContact CE1-CG2 4.09Å; Y94-V145 HydrophobicContact CE2-CG1 3.97Å; Y94-V145 HydrophobicContact CG-CB 4.5Å; Y94-V145 HydrophobicContact CG-CG1 3.58Å; Y94-V145 HydrophobicContact CG-CG2 4.2Å; Y94-L164 HydrophobicContact CD1-CD2 4Å; Y94-L164 HydrophobicContact CE1-CD2 3.58Å |
| 95 | V | 94.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.6 | -176.5 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | L40 M65 V78 L93 V97 A106 F108 | L40-V95 HydrophobicContact CD2-CG1 3.89Å; L40-V95 HydrophobicContact CD2-CG2 3.98Å; M65-V95 HydrophobicContact CE-CB 4.36Å; M65-V95 HydrophobicContact CE-CG1 4.06Å; M65-V95 HydrophobicContact CE-CG2 4.35Å; M65-V95 HydrophobicContact SD-CG1 4.16Å; M65-V95 HydrophobicContact SD-CG2 4.33Å; V78-V95 HydrophobicContact CB-CG1 4.33Å; V78-V95 HydrophobicContact CG1-CG1 3.69Å; V78-V95 HydrophobicContact CG2-CG1 3.94Å; L93-V95 HydrophobicContact CD2-CG2 3.75Å; L93-V95 HydrophobicContact CG-CG2 3.71Å; V95-V97 HydrophobicContact CB-CG2 4.49Å; V95-V97 HydrophobicContact CG1-CG2 3.89Å; V95-A106 PolarHBondContact N-O 3.12Å; V95-A106 PolarHBondContact O-N 3.07Å; V95-F108 HydrophobicContact CB-CE2 4.06Å; V95-F108 HydrophobicContact CG2-CD2 3.77Å; V95-F108 HydrophobicContact CG2-CE2 3.74Å |
| 96 | L | 94 | Very high | 87.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.3 | 166 | -69.5 | 179.6 | 0 | 0 | 0 | 109 | V79 A80 H104 L105 L128 I135 I147 | V79-L96 HydrophobicContact CB-CB 4.21Å; V79-L96 PolarHBondContact N-O 3Å; A80-L96 HydrophobicContact CB-CD1 4.39Å; A80-L96 WeakPolarHBondContact O-CB 3.45Å; A80-L96 PolarHBondContact O-N 2.85Å; L96-H104 CarbonylContact C-O 3.58Å; L96-H104 WeakPolarHBondContact CA-O 3.45Å; L96-L105 HydrophobicContact CD2-CB 4.4Å; L96-L105 HydrophobicContact CD2-CD1 4.05Å; L96-L128 HydrophobicContact CD2-CD1 3.93Å; L96-I135 HydrophobicContact CD1-CB 3.67Å; L96-I135 HydrophobicContact CD1-CG2 3.97Å; L96-I135 HydrophobicContact CG-CB 3.94Å; L96-I135 HydrophobicContact CG-CD1 4.32Å; L96-I135 HydrophobicContact CG-CG2 4.04Å; L96-I147 HydrophobicContact CD1-CG2 4.2Å; L96-I147 HydrophobicContact CD2-CD1 3.84Å; L96-I147 HydrophobicContact CD2-CG1 4.23Å; L96-I147 HydrophobicContact CD2-CG2 4.12Å |
| 97 | V | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.2 | 178.4 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | M65 Y69 L72 A76 R77 V95 V99 S103 H104 | M65-V97 HydrophobicContact CE-CG2 4.49Å; Y69-V97 HydrophobicContact CE1-CG2 4.23Å; L72-V97 HydrophobicContact CD1-CB 4.49Å; L72-V97 HydrophobicContact CD1-CG1 3.52Å; L72-V97 HydrophobicContact CD1-CG2 4.11Å; A76-V97 HydrophobicContact CB-CG1 3.92Å; R77-V97 CarbonylContact O-C 3.49Å; R77-V97 WeakPolarHBondContact O-CA 3.44Å; V95-V97 HydrophobicContact CB-CG2 4.49Å; V95-V97 HydrophobicContact CG1-CG2 3.89Å; V97-V99 HydrophobicContact CG1-CG2 4.1Å; V97-S103 CarbonylContact O-C 3.58Å; V97-S103 WeakPolarHBondContact O-CA 3.45Å; V97-H104 HydrophobicContact CB-CB 4.39Å; V97-H104 PolarHBondContact N-O 2.97Å; V97-H104 PolarHBondContact O-N 2.86Å |
| 98 | S | 90.2 | Very high | 88.8 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.1 | 169.6 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | A76 R77 I102 | A76-S98 CarbonylContact C-O 3.6Å; A76-S98 VanDerWaalsContact CA-O 3.3Å; A76-S98 WeakPolarHBondContact CA-O 3.35Å; R77-S98 PolarHBondContact N-O 2.91Å; R77-S98 PolarHBondContact O-N 3.28Å; S98-I102 WeakPolarHBondContact CA-O 3.39Å |
| 99 | V | 88.6 | Confident | 89.8 | Confident | 30 Ų | 30 | 31.2 Ų | 31.2 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 102.9 | 171.9 | -172.6 | 0 | 0 | 0 | 0 | 107.3 | A76 V97 T101 I102 | A76-V99 HydrophobicContact CB-CG2 3.86Å; V97-V99 HydrophobicContact CG1-CG2 4.1Å; V99-T101 PolarHBondContact O-N 2.81Å; V99-I102 PolarHBondContact N-O 2.95Å; V99-I102 PolarHBondContact O-N 2.86Å |
| 100 | K | 85.2 | Confident | 90.3 | Very high | 157 Ų | 157 | 28.1 Ų | 28.1 | 68% | 0.683 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | -103.8 | -170.3 | -54.5 | 178.4 | -175.8 | 177.7 | 0 | 111.5 | ||
| 101 | T | 84 | Confident | 90 | Very high | 103 Ų | 103 | 25.4 Ų | 25.4 | 63% | 0.632 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.2 | 9.4 | -178.8 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | V99 H131 | V99-T101 PolarHBondContact O-N 2.81Å; T101-H131 PolarHBondContact O-CE1 2.81Å; T101-H131 PolarHBondContact O-ND1 2.91Å |
| 102 | I | 90.2 | Very high | 89.1 | Confident | 82 Ų | 82 | 25.4 Ų | 25.4 | 42% | 0.421 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.6 | -178.7 | -55.3 | 177.7 | 0 | 0 | 0 | 108.6 | S98 V99 H104 C127 | S98-I102 WeakPolarHBondContact CA-O 3.39Å; V99-I102 PolarHBondContact N-O 2.95Å; V99-I102 PolarHBondContact O-N 2.86Å; I102-H104 WeakPolarHBondContact CG2-NE2 3.37Å; I102-C127 WeakPolarHBondContact CG2-SG 3.41Å |
| 103 | S | 92.8 | Very high | 87.5 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 137.7 | 175.2 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | V97 L128 F130 S132 | V97-S103 CarbonylContact O-C 3.58Å; V97-S103 WeakPolarHBondContact O-CA 3.45Å; S103-L128 WeakPolarHBondContact O-CB 3.49Å; S103-L128 PolarHBondContact O-N 3.19Å; S103-F130 WeakPolarHBondContact CB-O 2.96Å; S103-S132 WeakPolarHBondContact CB-OG 3.5Å; S103-S132 PolarHBondContact OG-N 3.08Å; S103-S132 PolarHBondContact OG-OG 2.95Å |
| 104 | H | 93.7 | Very high | 85.7 | Confident | 32 Ų | 32 | 32.6 Ų | 32.6 | 15% | 0.148 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.9 | 177.1 | -63.6 | -109.3 | 0 | 0 | 0 | 109.5 | L96 V97 I102 D125 K126 | L96-H104 CarbonylContact C-O 3.58Å; L96-H104 WeakPolarHBondContact CA-O 3.45Å; V97-H104 HydrophobicContact CB-CB 4.39Å; V97-H104 PolarHBondContact N-O 2.97Å; V97-H104 PolarHBondContact O-N 2.86Å; I102-H104 WeakPolarHBondContact CG2-NE2 3.37Å; H104-D125 IonicContact ND1-OD2 3.29Å; H104-D125 PolarHBondContact ND1-OD2 2.85Å; H104-K126 CarbonylContact C-O 3.56Å; H104-K126 WeakPolarHBondContact CA-O 3.42Å |
| 105 | L | 95.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 110.8 | 160.8 | 177.6 | 64.3 | 0 | 0 | 0 | 107.9 | Y94 L96 D125 K126 L128 I135 V145 I147 Y157 L164 | Y94-L105 HydrophobicContact CD1-CD1 4.29Å; L96-L105 HydrophobicContact CD2-CB 4.4Å; L96-L105 HydrophobicContact CD2-CD1 4.05Å; L105-D125 CarbonylContact O-C 3.58Å; L105-D125 WeakPolarHBondContact O-CA 3.25Å; L105-K126 PolarHBondContact N-O 3.4Å; L105-K126 PolarHBondContact O-N 3.27Å; L105-L128 HydrophobicContact CB-CD2 4.2Å; L105-I135 HydrophobicContact CD1-CD1 3.66Å; L105-V145 HydrophobicContact CD2-CG2 4.32Å; L105-I147 HydrophobicContact CB-CD1 4.18Å; L105-I147 HydrophobicContact CD1-CD1 3.88Å; L105-I147 HydrophobicContact CD2-CD1 3.67Å; L105-I147 HydrophobicContact CG-CD1 4.1Å; L105-Y157 HydrophobicContact CD2-CD1 4.25Å; L105-Y157 HydrophobicContact CD2-CD2 4.42Å; L105-Y157 HydrophobicContact CD2-CG 3.95Å; L105-L164 HydrophobicContact CB-CD1 4.32Å; L105-L164 HydrophobicContact CD2-CD1 3.87Å; L105-L164 HydrophobicContact CD2-CD2 3.88Å; L105-L164 HydrophobicContact CD2-CG 4.33Å; L105-L164 HydrophobicContact CG-CD1 3.79Å; L105-L164 HydrophobicContact CG-CD2 4.48Å; L105-L164 VanDerWaalsContact O-CD1 3.24Å; L105-L164 WeakPolarHBondContact O-CD1 3.42Å |
| 106 | A | 93.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y69 Y94 V95 F108 F122 D125 | Y69-A106 HydrophobicContact CE1-CB 4.29Å; Y69-A106 HydrophobicContact CE2-CB 4.48Å; Y94-A106 CarbonylContact C-O 3.59Å; Y94-A106 WeakPolarHBondContact CA-O 3.46Å; V95-A106 PolarHBondContact N-O 3.12Å; V95-A106 PolarHBondContact O-N 3.07Å; A106-F108 HydrophobicContact CB-CE2 3.62Å; A106-F108 HydrophobicContact CB-CZ 3.94Å; A106-F122 HydrophobicContact CB-CE2 4.48Å; A106-D125 HydrophobicContact CB-CB 4.21Å |
| 107 | M | 93.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.3 | 175.5 | -169.5 | -82.2 | -78.9 | 0 | 0 | 110.5 | Q92 Y94 T109 V123 C124 F159 L164 | Q92-M107 HydrophobicContact CB-SD 4.46Å; Q92-M107 HydrophobicContact CG-SD 4.37Å; Y94-M107 HydrophobicContact CD1-CB 4.33Å; Y94-M107 HydrophobicContact CD1-CG 4.07Å; Y94-M107 HydrophobicContact CE1-CB 4.4Å; Y94-M107 HydrophobicContact CE1-CG 3.85Å; M107-T109 HydrophobicContact SD-CG2 4.01Å; M107-V123 HydrophobicContact CE-CB 3.41Å; M107-V123 VanDerWaalsContact CE-CB 3.41Å; M107-V123 HydrophobicContact CE-CG1 3.47Å; M107-V123 VanDerWaalsContact CE-CG1 3.47Å; M107-V123 HydrophobicContact CE-CG2 3.69Å; M107-V123 PolarHBondContact O-N 3.25Å; M107-V123 HydrophobicContact SD-CB 3.88Å; M107-V123 HydrophobicContact SD-CG2 3.74Å; M107-C124 PolarHBondContact N-O 2.71Å; M107-F159 HydrophobicContact CE-CB 4.37Å; M107-F159 HydrophobicContact CE-CD1 3.81Å; M107-F159 HydrophobicContact CE-CD2 3.26Å; M107-F159 HydrophobicContact CE-CE1 3.78Å; M107-F159 HydrophobicContact CE-CE2 3.22Å; M107-F159 HydrophobicContact CE-CG 3.54Å; M107-F159 HydrophobicContact CE-CZ 3.49Å; M107-F159 VanDerWaalsContact CE-CZ 3.49Å; M107-L164 HydrophobicContact CB-CD1 4.09Å; M107-L164 HydrophobicContact CB-CD2 4.2Å; M107-L164 HydrophobicContact CB-CG 4.33Å |
| 108 | F | 91.8 | Very high | 80.6 | Confident | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 142.6 | 175.1 | -54.9 | -91.9 | 0 | 0 | 0 | 109 | M65 I68 Y69 Q92 L93 V95 A106 W120 Q121 F122 | M65-F108 HydrophobicContact CE-CE1 4.34Å; M65-F108 HydrophobicContact CE-CE2 3.55Å; M65-F108 HydrophobicContact CE-CZ 3.4Å; I68-F108 HydrophobicContact CD1-CD1 3.6Å; I68-F108 HydrophobicContact CD1-CE1 3.8Å; I68-F108 HydrophobicContact CG1-CD1 4.19Å; I68-F108 HydrophobicContact CG1-CE1 3.93Å; Y69-F108 HydrophobicContact CD1-CZ 4.27Å; Y69-F108 HydrophobicContact CG-CE1 4.4Å; Y69-F108 AromaticContact CG-CZ 3.97Å; Y69-F108 HydrophobicContact CG-CZ 3.97Å; Q92-F108 CarbonylContact C-O 3.55Å; Q92-F108 WeakPolarHBondContact CA-O 3.06Å; L93-F108 HydrophobicContact CB-CB 4.34Å; L93-F108 PolarHBondContact N-O 3.24Å; L93-F108 PolarHBondContact O-N 3.47Å; V95-F108 HydrophobicContact CB-CE2 4.06Å; V95-F108 HydrophobicContact CG2-CD2 3.77Å; V95-F108 HydrophobicContact CG2-CE2 3.74Å; A106-F108 HydrophobicContact CB-CE2 3.62Å; A106-F108 HydrophobicContact CB-CZ 3.94Å; F108-W120 HydrophobicContact CB-CE3 4.06Å; F108-W120 HydrophobicContact CB-CZ3 4.43Å; F108-Q121 CarbonylContact C-O 3.56Å; F108-Q121 WeakPolarHBondContact CA-O 3.24Å; F108-Q121 WeakPolarHBondContact CB-O 3.3Å; F108-F122 HydrophobicContact CD1-CB 4.05Å; F108-F122 HydrophobicContact CD1-CD2 4.32Å; F108-F122 HydrophobicContact CE1-CB 3.9Å; F108-F122 AromaticContact CE1-CD2 3.79Å; F108-F122 HydrophobicContact CE1-CD2 3.79Å; F108-F122 HydrophobicContact CE1-CG 4.33Å; F108-F122 HydrophobicContact CZ-CD2 4.08Å |
| 109 | T | 88.5 | Confident | 80.1 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 15% | 0.153 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 150.6 | 162.7 | 50.2 | 0 | 0 | 0 | 0 | 109.1 | W91 Q92 M107 Q121 V123 | W91-T109 WeakPolarHBondContact O-CA 3.24Å; Q92-T109 HydrophobicContact CG-CG2 4.34Å; M107-T109 HydrophobicContact SD-CG2 4.01Å; T109-Q121 PolarHBondContact N-O 2.99Å; T109-Q121 PolarHBondContact O-N 3.21Å; T109-V123 HydrophobicContact CG2-CG2 3.73Å |
| 110 | F | 83.3 | Confident | 80 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 145.4 | 162.6 | 79.3 | -101.4 | 0 | 0 | 0 | 111.1 | F26 L83 W91 Y112 V119 W120 | F26-F110 HydrophobicContact CD1-CZ 4.06Å; F26-F110 HydrophobicContact CD2-CE2 4.35Å; F26-F110 AromaticContact CD2-CZ 3.88Å; F26-F110 HydrophobicContact CD2-CZ 3.88Å; F26-F110 HydrophobicContact CE1-CE1 4.03Å; F26-F110 HydrophobicContact CE1-CE2 4.26Å; F26-F110 AromaticContact CE1-CZ 3.48Å; F26-F110 HydrophobicContact CE1-CZ 3.48Å; F26-F110 VanDerWaalsContact CE1-CZ 3.48Å; F26-F110 HydrophobicContact CE2-CE1 4.48Å; F26-F110 AromaticContact CE2-CE2 3.44Å; F26-F110 HydrophobicContact CE2-CE2 3.44Å; F26-F110 VanDerWaalsContact CE2-CE2 3.44Å; F26-F110 AromaticContact CE2-CZ 3.26Å; F26-F110 HydrophobicContact CE2-CZ 3.26Å; F26-F110 HydrophobicContact CG-CZ 4.23Å; F26-F110 HydrophobicContact CZ-CD2 4.49Å; F26-F110 AromaticContact CZ-CE1 3.96Å; F26-F110 HydrophobicContact CZ-CE1 3.96Å; F26-F110 AromaticContact CZ-CE2 3.38Å; F26-F110 HydrophobicContact CZ-CE2 3.38Å; F26-F110 AromaticContact CZ-CZ 3.03Å; F26-F110 HydrophobicContact CZ-CZ 3.03Å; L83-F110 HydrophobicContact CD1-CD1 4.17Å; L83-F110 HydrophobicContact CD1-CE1 3.54Å; L83-F110 HydrophobicContact CD2-CE1 3.95Å; L83-F110 HydrophobicContact CD2-CZ 4.29Å; L83-F110 HydrophobicContact CG-CE1 4.29Å; W91-F110 HydrophobicContact CB-CD1 3.61Å; W91-F110 HydrophobicContact CB-CD2 4.49Å; W91-F110 HydrophobicContact CB-CE1 3.1Å; W91-F110 HydrophobicContact CB-CE2 3.98Å; W91-F110 HydrophobicContact CB-CG 4.31Å; W91-F110 HydrophobicContact CB-CZ 3.25Å; W91-F110 AromaticContact CD1-CZ 3.92Å; W91-F110 HydrophobicContact CD2-CD2 4.41Å; W91-F110 HydrophobicContact CD2-CE1 4.09Å; W91-F110 AromaticContact CD2-CE2 3.41Å; W91-F110 HydrophobicContact CD2-CE2 3.41Å; W91-F110 VanDerWaalsContact CD2-CE2 3.41Å; W91-F110 AromaticContact CD2-CZ 3.21Å; W91-F110 HydrophobicContact CD2-CZ 3.21Å; W91-F110 AromaticContact CE3-CD2 3.72Å; W91-F110 HydrophobicContact CE3-CD2 3.72Å; W91-F110 HydrophobicContact CE3-CE1 4.33Å; W91-F110 AromaticContact CE3-CE2 2.97Å; W91-F110 HydrophobicContact CE3-CE2 2.97Å; W91-F110 AromaticContact CE3-CZ 3.36Å; W91-F110 HydrophobicContact CE3-CZ 3.36Å; W91-F110 HydrophobicContact CG-CD1 4.45Å; W91-F110 AromaticContact CG-CE1 3.6Å; W91-F110 HydrophobicContact CG-CE1 3.6Å; W91-F110 AromaticContact CG-CE2 3.87Å; W91-F110 HydrophobicContact CG-CE2 3.87Å; W91-F110 AromaticContact CG-CZ 3.18Å; W91-F110 HydrophobicContact CG-CZ 3.18Å; W91-F110 HydrophobicContact CH2-CE2 4.49Å; W91-F110 HydrophobicContact CZ3-CD2 4.34Å; W91-F110 AromaticContact CZ3-CE2 3.58Å; W91-F110 HydrophobicContact CZ3-CE2 3.58Å; W91-F110 HydrophobicContact CZ3-CZ 4.24Å; W91-F110 PolarHBondContact N-O 3.37Å; W91-F110 PolarHBondContact O-N 3.06Å; F110-Y112 HydrophobicContact CD2-CD2 4.08Å; F110-Y112 AromaticContact CD2-CE2 3.68Å; F110-Y112 HydrophobicContact CD2-CE2 3.68Å; F110-Y112 AromaticContact CE2-CD2 3.89Å; F110-Y112 HydrophobicContact CE2-CD2 3.89Å; F110-Y112 AromaticContact CE2-CE2 3.37Å; F110-Y112 HydrophobicContact CE2-CE2 3.37Å; F110-Y112 HydrophobicContact CZ-CE2 4.43Å; F110-V119 WeakPolarHBondContact CA-O 3.42Å; F110-W120 HydrophobicContact CB-CD2 3.88Å; F110-W120 HydrophobicContact CB-CE3 3.66Å; F110-W120 HydrophobicContact CB-CG 4.49Å; F110-W120 HydrophobicContact CB-CH2 4.15Å; F110-W120 HydrophobicContact CB-CZ2 4.35Å; F110-W120 HydrophobicContact CB-CZ3 3.79Å; F110-W120 HydrophobicContact CD1-CE3 4.16Å; F110-W120 AromaticContact CD1-CH2 3.25Å; F110-W120 HydrophobicContact CD1-CH2 3.25Å; F110-W120 AromaticContact CD1-CZ2 3.95Å; F110-W120 HydrophobicContact CD1-CZ2 3.95Å; F110-W120 AromaticContact CD1-CZ3 3.38Å; F110-W120 HydrophobicContact CD1-CZ3 3.38Å; F110-W120 AromaticContact CE1-CH2 3.79Å; F110-W120 HydrophobicContact CE1-CH2 3.79Å; F110-W120 HydrophobicContact CE1-CZ2 4.45Å; F110-W120 HydrophobicContact CE1-CZ3 4.29Å; F110-W120 HydrophobicContact CG-CE3 4.35Å; F110-W120 AromaticContact CG-CH2 3.95Å; F110-W120 HydrophobicContact CG-CH2 3.95Å; F110-W120 HydrophobicContact CG-CZ2 4.26Å; F110-W120 AromaticContact CG-CZ3 3.98Å; F110-W120 HydrophobicContact CG-CZ3 3.98Å |
| 111 | A | 74.1 | Confident | 80.2 | Confident | 36 Ų | 36 | 40.2 Ų | 40.2 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q90 V119 | Q90-A111 HydrophobicContact CG-CB 4.48Å; A111-V119 PolarHBondContact N-O 2.83Å; A111-V119 PolarHBondContact O-N 2.98Å |
| 112 | Y | 67.5 | Low | 80.5 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -98.6 | 94.7 | 173 | -74.4 | -71.6 | 0 | 0 | 0 | 109.9 | F26 R28 W36 W91 F110 G114 P118 | F26-Y112 AromaticContact CE2-CE2 3.76Å; F26-Y112 HydrophobicContact CE2-CE2 3.76Å; F26-Y112 AromaticContact CZ-CE2 3.79Å; F26-Y112 HydrophobicContact CZ-CE2 3.79Å; R28-Y112 VanDerWaalsContact NH1-CB 3.29Å; R28-Y112 PolarHBondContact NH2-O 3.38Å; W36-Y112 HydrophobicContact CD2-CD2 4.37Å; W36-Y112 AromaticContact CD2-CE1 3.97Å; W36-Y112 HydrophobicContact CD2-CE1 3.97Å; W36-Y112 AromaticContact CD2-CE2 3.54Å; W36-Y112 HydrophobicContact CD2-CE2 3.54Å; W36-Y112 AromaticContact CD2-CZ 3.32Å; W36-Y112 VanDerWaalsContact CD2-OH 3.29Å; W36-Y112 AromaticContact CE2-CD2 3.77Å; W36-Y112 AromaticContact CE2-CE1 3.69Å; W36-Y112 AromaticContact CE2-CE2 3.4Å; W36-Y112 VanDerWaalsContact CE2-CE2 3.4Å; W36-Y112 AromaticContact CE2-CZ 3.38Å; W36-Y112 AromaticContact CE3-CE1 3.71Å; W36-Y112 HydrophobicContact CE3-CE1 3.71Å; W36-Y112 AromaticContact CE3-CE2 3.96Å; W36-Y112 HydrophobicContact CE3-CE2 3.96Å; W36-Y112 AromaticContact CE3-CZ 3.23Å; W36-Y112 AromaticContact CG-CE2 3.99Å; W36-Y112 HydrophobicContact CG-CE2 3.99Å; W36-Y112 AromaticContact CH2-CD1 3.35Å; W36-Y112 HydrophobicContact CH2-CD1 3.35Å; W36-Y112 AromaticContact CH2-CE1 2.85Å; W36-Y112 HydrophobicContact CH2-CE1 2.85Å; W36-Y112 HydrophobicContact CH2-CE2 4.15Å; W36-Y112 HydrophobicContact CH2-CG 4.2Å; W36-Y112 AromaticContact CH2-CZ 3.34Å; W36-Y112 AromaticContact CZ2-CD1 3.28Å; W36-Y112 HydrophobicContact CZ2-CD1 3.28Å; W36-Y112 AromaticContact CZ2-CD2 3.88Å; W36-Y112 HydrophobicContact CZ2-CD2 3.88Å; W36-Y112 AromaticContact CZ2-CE1 3.16Å; W36-Y112 HydrophobicContact CZ2-CE1 3.16Å; W36-Y112 AromaticContact CZ2-CE2 3.74Å; W36-Y112 HydrophobicContact CZ2-CE2 3.74Å; W36-Y112 AromaticContact CZ2-CG 3.67Å; W36-Y112 HydrophobicContact CZ2-CG 3.67Å; W36-Y112 AromaticContact CZ2-CZ 3.41Å; W36-Y112 VanDerWaalsContact CZ2-CZ 3.41Å; W36-Y112 HydrophobicContact CZ3-CD1 4.08Å; W36-Y112 AromaticContact CZ3-CE1 3.11Å; W36-Y112 HydrophobicContact CZ3-CE1 3.11Å; W36-Y112 HydrophobicContact CZ3-CE2 4.21Å; W36-Y112 AromaticContact CZ3-CZ 3.19Å; W36-Y112 WeakPolarHBondContact CZ3-OH 3.5Å; W36-Y112 AromaticContact NE1-CD2 3.96Å; W36-Y112 AromaticContact NE1-CE2 3.8Å; W91-Y112 HydrophobicContact CZ3-CD2 4.26Å; F110-Y112 HydrophobicContact CD2-CD2 4.08Å; F110-Y112 AromaticContact CD2-CE2 3.68Å; F110-Y112 HydrophobicContact CD2-CE2 3.68Å; F110-Y112 AromaticContact CE2-CD2 3.89Å; F110-Y112 HydrophobicContact CE2-CD2 3.89Å; F110-Y112 AromaticContact CE2-CE2 3.37Å; F110-Y112 HydrophobicContact CE2-CE2 3.37Å; F110-Y112 HydrophobicContact CZ-CE2 4.43Å; Y112-G114 VanDerWaalsContact C-N 3.33Å; Y112-G114 PolarHBondContact O-N 3.07Å; Y112-G114 VanDerWaalsContact O-N 3.08Å; Y112-P118 HydrophobicContact CD1-CB 4.32Å; Y112-P118 HydrophobicContact CE1-CB 3.36Å; Y112-P118 HydrophobicContact CE1-CG 3.83Å; Y112-P118 VanDerWaalsContact CE1-N 3.31Å; Y112-P118 WeakPolarHBondContact OH-CB 3.4Å; Y112-P118 WeakPolarHBondContact OH-CG 3.49Å | ||
| 113 | S | 57.2 | Low | 80.6 | Confident | 94 Ų | 94 | 37.1 Ų | 37.1 | 66% | 0.657 | 25% | 0.246 | S | C | * | . | trans | -82.6 | 73.5 | 179.2 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | G115 | S113-G115 PolarHBondContact O-N 2.83Š| ||
| 114 | G | 54.3 | Low | 80.6 | Confident | 84 Ų | 84 | 37.6 Ų | 37.6 | 87% | 0.866 | 25% | 0.25 | S | C | * | . | S | Bend | trans | 60.5 | -4.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | Y112 | Y112-G114 VanDerWaalsContact C-N 3.33Å; Y112-G114 PolarHBondContact O-N 3.07Å; Y112-G114 VanDerWaalsContact O-N 3.08Å |
| 115 | G | 57.6 | Low | 80.6 | Confident | 43 Ų | 43 | 39 Ų | 39 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -110.3 | 166.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S113 S117 | S113-G115 PolarHBondContact O-N 2.83Å; G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 2.98Å |
| 116 | S | 63.1 | Low | 80.6 | Confident | 55 Ų | 55 | 44 Ų | 44 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -71.8 | -10.1 | -177.1 | 37.4 | 0 | 0 | 0 | 0 | 114.6 | W36 E59 H61 | W36-S116 WeakPolarHBondContact CH2-O 3.22Å; E59-S116 WeakPolarHBondContact OE2-CB 3.47Å; H61-S116 PolarHBondContact CD2-O 2.8Å; H61-S116 PolarHBondContact CE1-O 3.29Å; H61-S116 PolarHBondContact NE2-O 2.79Å |
| 117 | S | 69.7 | Low | 80.6 | Confident | 61 Ų | 61 | 47.2 Ų | 47.2 | 43% | 0.427 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -105.8 | 138.5 | -178 | -65.5 | 0 | 0 | 0 | 0 | 113.6 | H61 G115 | H61-S117 PolarHBondContact CE1-OG 3.32Å; H61-S117 PolarHBondContact ND1-OG 2.82Å; G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 2.98Å |
| 118 | P | 77.1 | Confident | 80.6 | Confident | 19 Ų | 19 | 47.7 Ų | 47.7 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | trans | -68.1 | 134.4 | 173.5 | 12.3 | -13.7 | 0 | 0 | 0 | 111.4 | N48 Y112 | N48-P118 HydrophobicContact CB-CG 3.76Å; Y112-P118 HydrophobicContact CD1-CB 4.32Å; Y112-P118 HydrophobicContact CE1-CB 3.36Å; Y112-P118 HydrophobicContact CE1-CG 3.83Å; Y112-P118 VanDerWaalsContact CE1-N 3.31Å; Y112-P118 WeakPolarHBondContact OH-CB 3.4Å; Y112-P118 WeakPolarHBondContact OH-CG 3.49Å | ||
| 119 | V | 81.3 | Confident | 80.5 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 104.8 | 167.1 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | F110 A111 Q121 | F110-V119 WeakPolarHBondContact CA-O 3.42Å; A111-V119 PolarHBondContact N-O 2.83Å; A111-V119 PolarHBondContact O-N 2.98Å; V119-Q121 HydrophobicContact CG1-CG 4.37Å |
| 120 | W | 86 | Confident | 80.7 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 6% | 0.064 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134.9 | 173.1 | -67.6 | 92.8 | 0 | 0 | 0 | 110.2 | T38 M46 I68 L93 F108 F110 | T38-W120 HydrophobicContact CG2-CH2 4.42Å; T38-W120 HydrophobicContact CG2-CZ2 3.91Å; M46-W120 HydrophobicContact CE-CB 4.39Å; M46-W120 HydrophobicContact CE-CD2 4.24Å; M46-W120 HydrophobicContact CE-CG 3.8Å; M46-W120 HydrophobicContact SD-CD2 4.3Å; M46-W120 HydrophobicContact SD-CG 4.46Å; I68-W120 HydrophobicContact CD1-CB 3.47Å; I68-W120 VanDerWaalsContact CD1-CB 3.47Å; I68-W120 HydrophobicContact CD1-CG 4.3Å; L93-W120 HydrophobicContact CB-CH2 4.09Å; L93-W120 HydrophobicContact CB-CZ3 3.51Å; L93-W120 HydrophobicContact CD2-CE3 4.28Å; L93-W120 HydrophobicContact CD2-CH2 3.71Å; L93-W120 HydrophobicContact CD2-CZ3 3.49Å; L93-W120 VanDerWaalsContact CD2-CZ3 3.49Å; L93-W120 HydrophobicContact CG-CH2 4.42Å; L93-W120 HydrophobicContact CG-CZ3 4.11Å; F108-W120 HydrophobicContact CB-CE3 4.06Å; F108-W120 HydrophobicContact CB-CZ3 4.43Å; F110-W120 HydrophobicContact CB-CD2 3.88Å; F110-W120 HydrophobicContact CB-CE3 3.66Å; F110-W120 HydrophobicContact CB-CG 4.49Å; F110-W120 HydrophobicContact CB-CH2 4.15Å; F110-W120 HydrophobicContact CB-CZ2 4.35Å; F110-W120 HydrophobicContact CB-CZ3 3.79Å; F110-W120 HydrophobicContact CD1-CE3 4.16Å; F110-W120 AromaticContact CD1-CH2 3.25Å; F110-W120 HydrophobicContact CD1-CH2 3.25Å; F110-W120 AromaticContact CD1-CZ2 3.95Å; F110-W120 HydrophobicContact CD1-CZ2 3.95Å; F110-W120 AromaticContact CD1-CZ3 3.38Å; F110-W120 HydrophobicContact CD1-CZ3 3.38Å; F110-W120 AromaticContact CE1-CH2 3.79Å; F110-W120 HydrophobicContact CE1-CH2 3.79Å; F110-W120 HydrophobicContact CE1-CZ2 4.45Å; F110-W120 HydrophobicContact CE1-CZ3 4.29Å; F110-W120 HydrophobicContact CG-CE3 4.35Å; F110-W120 AromaticContact CG-CH2 3.95Å; F110-W120 HydrophobicContact CG-CH2 3.95Å; F110-W120 HydrophobicContact CG-CZ2 4.26Å; F110-W120 AromaticContact CG-CZ3 3.98Å; F110-W120 HydrophobicContact CG-CZ3 3.98Å |
| 121 | Q | 88.9 | Confident | 81 | Confident | 117 Ų | 117 | 57 Ų | 57 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.4 | 176.3 | -66.6 | -179.7 | -10.9 | 0 | 0 | 109.3 | F108 T109 V119 | F108-Q121 CarbonylContact C-O 3.56Å; F108-Q121 WeakPolarHBondContact CA-O 3.24Å; F108-Q121 WeakPolarHBondContact CB-O 3.3Å; T109-Q121 PolarHBondContact N-O 2.99Å; T109-Q121 PolarHBondContact O-N 3.21Å; V119-Q121 HydrophobicContact CG1-CG 4.37Å |
| 122 | F | 91.4 | Very high | 81.8 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 135.6 | 167.7 | 171.4 | -107.3 | 0 | 0 | 0 | 109.3 | I68 Y69 A106 F108 C124 D125 | I68-F122 WeakPolarHBondContact O-CB 3.47Å; Y69-F122 AromaticContact CD2-CD2 3.67Å; Y69-F122 HydrophobicContact CD2-CD2 3.67Å; Y69-F122 AromaticContact CD2-CE2 3.48Å; Y69-F122 HydrophobicContact CD2-CE2 3.48Å; Y69-F122 VanDerWaalsContact CD2-CE2 3.48Å; Y69-F122 HydrophobicContact CD2-CG 4.3Å; Y69-F122 AromaticContact CD2-CZ 3.98Å; Y69-F122 HydrophobicContact CD2-CZ 3.98Å; Y69-F122 HydrophobicContact CE2-CD2 4.26Å; Y69-F122 AromaticContact CE2-CE2 3.59Å; Y69-F122 HydrophobicContact CE2-CE2 3.59Å; Y69-F122 AromaticContact CE2-CZ 3.91Å; Y69-F122 HydrophobicContact CE2-CZ 3.91Å; Y69-F122 HydrophobicContact CG-CD2 4.43Å; A106-F122 HydrophobicContact CB-CE2 4.48Å; F108-F122 HydrophobicContact CD1-CB 4.05Å; F108-F122 HydrophobicContact CD1-CD2 4.32Å; F108-F122 HydrophobicContact CE1-CB 3.9Å; F108-F122 AromaticContact CE1-CD2 3.79Å; F108-F122 HydrophobicContact CE1-CD2 3.79Å; F108-F122 HydrophobicContact CE1-CG 4.33Å; F108-F122 HydrophobicContact CZ-CD2 4.08Å; F122-C124 VanDerWaalsContact CE2-O 3.26Å; F122-C124 WeakPolarHBondContact CE2-O 2.85Å; F122-D125 HydrophobicContact CE2-CB 4.07Å; F122-D125 HydrophobicContact CZ-CB 4.12Å |
| 123 | V | 91.8 | Very high | 82.8 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 33% | 0.327 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -56.6 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | M107 T109 F159 | M107-V123 HydrophobicContact CE-CB 3.41Å; M107-V123 VanDerWaalsContact CE-CB 3.41Å; M107-V123 HydrophobicContact CE-CG1 3.47Å; M107-V123 VanDerWaalsContact CE-CG1 3.47Å; M107-V123 HydrophobicContact CE-CG2 3.69Å; M107-V123 PolarHBondContact O-N 3.25Å; M107-V123 HydrophobicContact SD-CB 3.88Å; M107-V123 HydrophobicContact SD-CG2 3.74Å; T109-V123 HydrophobicContact CG2-CG2 3.73Å; V123-F159 HydrophobicContact CG1-CE2 3.73Å; V123-F159 HydrophobicContact CG1-CZ 3.61Å |
| 124 | C | 93.4 | Very high | 84.5 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 165.7 | 179.7 | 60.8 | 0 | 0 | 0 | 0 | 111 | M107 F122 | M107-C124 PolarHBondContact N-O 2.71Å; F122-C124 VanDerWaalsContact CE2-O 3.26Å; F122-C124 WeakPolarHBondContact CE2-O 2.85Å |
| 125 | D | 93.7 | Very high | 86.4 | Confident | 61 Ų | 61 | 50.7 Ų | 50.7 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 163.6 | 167.5 | 77.1 | -47.6 | 0 | 0 | 0 | 111.5 | Y69 H104 L105 A106 F122 | Y69-D125 HydrophobicContact CE2-CB 4.21Å; Y69-D125 PolarHBondContact OH-OD2 2.86Å; H104-D125 IonicContact ND1-OD2 3.29Å; H104-D125 PolarHBondContact ND1-OD2 2.85Å; L105-D125 CarbonylContact O-C 3.58Å; L105-D125 WeakPolarHBondContact O-CA 3.25Å; A106-D125 HydrophobicContact CB-CB 4.21Å; F122-D125 HydrophobicContact CE2-CB 4.07Å; F122-D125 HydrophobicContact CZ-CB 4.12Å |
| 126 | K | 93.5 | Very high | 87.9 | Confident | 104 Ų | 104 | 52.1 Ų | 52.1 | 45% | 0.452 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 122.6 | 175.3 | -177.9 | 66.5 | -177.5 | 173.4 | 0 | 109 | H104 L105 L128 Y157 L164 | H104-K126 CarbonylContact C-O 3.56Å; H104-K126 WeakPolarHBondContact CA-O 3.42Å; L105-K126 PolarHBondContact N-O 3.4Å; L105-K126 PolarHBondContact O-N 3.27Å; K126-L128 PolarHBondContact O-N 3.03Å; K126-Y157 HydrophobicContact CG-CE1 4.48Å; K126-L164 HydrophobicContact CB-CB 4.09Å; K126-L164 HydrophobicContact CB-CD1 4.21Å |
| 127 | C | 93.7 | Very high | 89.2 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 46% | 0.459 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 129.6 | 166.4 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | I102 | I102-C127 WeakPolarHBondContact CG2-SG 3.41Å |
| 128 | L | 94 | Very high | 89.7 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | trans | -91.1 | 146.9 | 176.3 | -54.4 | 179.3 | 0 | 0 | 0 | 109.4 | L96 S103 L105 K126 F130 I147 Y157 | L96-L128 HydrophobicContact CD2-CD1 3.93Å; S103-L128 WeakPolarHBondContact O-CB 3.49Å; S103-L128 PolarHBondContact O-N 3.19Å; L105-L128 HydrophobicContact CB-CD2 4.2Å; K126-L128 PolarHBondContact O-N 3.03Å; L128-F130 HydrophobicContact CB-CE1 4.48Å; L128-F130 HydrophobicContact CB-CZ 4.41Å; L128-F130 HydrophobicContact CD1-CE2 4.04Å; L128-F130 HydrophobicContact CD1-CZ 4.2Å; L128-F130 HydrophobicContact CD2-CZ 4.4Å; L128-F130 PolarHBondContact O-N 2.77Å; L128-I147 HydrophobicContact CD1-CD1 4.31Å; L128-I147 HydrophobicContact CD1-CG2 4.33Å; L128-Y157 HydrophobicContact CD2-CE1 4.28Å; L128-Y157 HydrophobicContact CD2-CE2 4.24Å; L128-Y157 WeakPolarHBondContact CD2-OH 3.15Å | ||
| 129 | D | 91.2 | Very high | 89.3 | Confident | 114 Ų | 114 | 49.5 Ų | 49.5 | 61% | 0.61 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -86.3 | 11.6 | 176.2 | 61.4 | -42.8 | 0 | 0 | 0 | 112.6 | ||
| 130 | F | 90.8 | Very high | 88.4 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -150.1 | 160.5 | -178 | 57.8 | -98.5 | 0 | 0 | 0 | 111.6 | S103 L128 S132 I147 R153 Y157 | S103-F130 WeakPolarHBondContact CB-O 2.96Å; L128-F130 HydrophobicContact CB-CE1 4.48Å; L128-F130 HydrophobicContact CB-CZ 4.41Å; L128-F130 HydrophobicContact CD1-CE2 4.04Å; L128-F130 HydrophobicContact CD1-CZ 4.2Å; L128-F130 HydrophobicContact CD2-CZ 4.4Å; L128-F130 PolarHBondContact O-N 2.77Å; F130-S132 PolarHBondContact O-N 3.33Å; F130-I147 HydrophobicContact CE2-CG2 3.66Å; F130-I147 HydrophobicContact CZ-CG2 4.01Å; F130-R153 VanDerWaalsContact CB-NH2 3.32Å; F130-Y157 HydrophobicContact CZ-CE2 4.47Å |
| 131 | H | 90.8 | Very high | 87.5 | Confident | 94 Ų | 94 | 54.1 Ų | 54.1 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | trans | -79.2 | 106.1 | 173.8 | -68.4 | -74 | 0 | 0 | 0 | 110.6 | T101 S149 T150 | T101-H131 PolarHBondContact O-CE1 2.81Å; T101-H131 PolarHBondContact O-ND1 2.91Å; H131-S149 CarbonylContact O-C 3.51Å; H131-S149 VanDerWaalsContact O-CA 3.24Å; H131-S149 WeakPolarHBondContact O-CA 3.38Å; H131-T150 HydrophobicContact CB-CG2 4.44Å; H131-T150 PolarHBondContact O-N 2.73Å | ||
| 132 | S | 90.4 | Very high | 86.8 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 136.4 | 179.8 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | S103 F130 S148 | S103-S132 WeakPolarHBondContact CB-OG 3.5Å; S103-S132 PolarHBondContact OG-N 3.08Å; S103-S132 PolarHBondContact OG-OG 2.95Å; F130-S132 PolarHBondContact O-N 3.33Å; S132-S148 WeakPolarHBondContact CA-O 3.13Å |
| 133 | C | 89.5 | Confident | 86.5 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -20.7 | 178 | 61.3 | 0 | 0 | 0 | 0 | 114 | S148 T150 | C133-S148 PolarHBondContact N-O 3.09Å; C133-T150 HydrophobicContact CB-CG2 3.93Å |
| 134 | F | 92.1 | Very high | 86.4 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 144.2 | -173.2 | 178.2 | -107.7 | 0 | 0 | 0 | 110.8 | K136 M146 I147 S148 V184 I185 I187 | F134-K136 HydrophobicContact CE1-CB 3.55Å; F134-K136 HydrophobicContact CE1-CD 4.32Å; F134-K136 HydrophobicContact CE2-CB 4.49Å; F134-K136 HydrophobicContact CZ-CB 3.55Å; F134-K136 HydrophobicContact CZ-CD 3.77Å; F134-K136 HydrophobicContact CZ-CG 4.26Å; F134-M146 HydrophobicContact CD1-CE 3.9Å; F134-M146 HydrophobicContact CE1-CE 3.72Å; F134-I147 WeakPolarHBondContact O-CA 3.39Å; F134-S148 PolarHBondContact O-N 3.28Å; F134-V184 VanDerWaalsContact CB-O 3.24Å; F134-V184 WeakPolarHBondContact CB-O 3.44Å; F134-V184 WeakPolarHBondContact CD1-O 3.14Å; F134-V184 WeakPolarHBondContact CG-O 3.38Å; F134-I185 WeakPolarHBondContact CE2-O 3.4Å; F134-I185 WeakPolarHBondContact CZ-O 3.21Å; F134-I187 HydrophobicContact CE1-CG2 4.28Å |
| 135 | I | 93.4 | Very high | 86.4 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 137.6 | 171 | -172.9 | 173 | 0 | 0 | 0 | 109.5 | A80 S81 C82 L96 L105 V145 M146 I147 | A80-I135 HydrophobicContact CB-CG2 3.75Å; S81-I135 VanDerWaalsContact C-CG2 3.5Å; S81-I135 VanDerWaalsContact CA-CG2 3.48Å; C82-I135 HydrophobicContact CB-CD1 4.27Å; C82-I135 HydrophobicContact CB-CG1 3.99Å; C82-I135 HydrophobicContact CB-CG2 4.22Å; L96-I135 HydrophobicContact CD1-CB 3.67Å; L96-I135 HydrophobicContact CD1-CG2 3.97Å; L96-I135 HydrophobicContact CG-CB 3.94Å; L96-I135 HydrophobicContact CG-CD1 4.32Å; L96-I135 HydrophobicContact CG-CG2 4.04Å; L105-I135 HydrophobicContact CD1-CD1 3.66Å; I135-V145 HydrophobicContact CD1-CB 4.04Å; I135-V145 HydrophobicContact CD1-CG1 4.27Å; I135-V145 HydrophobicContact CD1-CG2 4.19Å; I135-V145 HydrophobicContact CG1-CB 4.06Å; I135-V145 HydrophobicContact CG1-CG1 4.46Å; I135-M146 CarbonylContact C-O 3.54Å; I135-M146 VanDerWaalsContact CA-O 3.25Å; I135-M146 WeakPolarHBondContact CA-O 3.21Å; I135-I147 HydrophobicContact CB-CG1 4.44Å; I135-I147 HydrophobicContact CD1-CG1 4.21Å; I135-I147 HydrophobicContact CG1-CG1 4.07Å |
| 136 | K | 90.8 | Very high | 86.5 | Confident | 73 Ų | 73 | 44.6 Ų | 44.6 | 32% | 0.317 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 152.4 | 173.4 | -174.1 | 161.6 | 176 | -177.9 | 0 | 110.4 | F134 F138 M146 I187 | F134-K136 HydrophobicContact CE1-CB 3.55Å; F134-K136 HydrophobicContact CE1-CD 4.32Å; F134-K136 HydrophobicContact CE2-CB 4.49Å; F134-K136 HydrophobicContact CZ-CB 3.55Å; F134-K136 HydrophobicContact CZ-CD 3.77Å; F134-K136 HydrophobicContact CZ-CG 4.26Å; K136-F138 PolarHBondContact O-N 3.27Å; K136-M146 PolarHBondContact N-O 3.12Å; K136-M146 PolarHBondContact O-N 3.16Å; K136-I187 HydrophobicContact CB-CG2 4.29Å; K136-I187 HydrophobicContact CD-CG2 3.8Å; K136-I187 WeakPolarHBondContact CE-O 3.4Å; K136-I187 HydrophobicContact CG-CG2 4.27Å; K136-I187 PolarHBondContact NZ-O 2.89Å |
| 137 | R | 88.8 | Confident | 86.5 | Confident | 66 Ų | 66 | 39.7 Ų | 39.7 | 25% | 0.249 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 120.1 | 170 | -178.9 | 178.9 | -175.3 | 177.8 | 3.9 | 107.5 | C82 I84 G140 S142 | C82-R137 PolarHBondContact SG-N 3.24Å; I84-R137 HydrophobicContact CD1-CB 4.39Å; I84-R137 HydrophobicContact CD1-CG 3.99Å; I84-R137 HydrophobicContact CG1-CB 4.26Å; I84-R137 HydrophobicContact CG1-CG 4.05Å; R137-G140 PolarHBondContact NH2-O 3.21Å; R137-S142 PolarHBondContact NE-O 3.34Å; R137-S142 PolarHBondContact NH2-O 3.05Å |
| 138 | F | 80.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -76.5 | 137.9 | 173.2 | -161.6 | -118.3 | 0 | 0 | 0 | 107.8 | K136 S142 Q144 M146 L156 Y173 L176 I187 | K136-F138 PolarHBondContact O-N 3.27Å; F138-S142 PolarHBondContact O-OG 3.37Å; F138-Q144 PolarHBondContact N-O 3.5Å; F138-M146 HydrophobicContact CB-CB 4.1Å; F138-M146 HydrophobicContact CD2-CB 4.1Å; F138-M146 HydrophobicContact CD2-CG 4.46Å; F138-M146 HydrophobicContact CD2-SD 4.17Å; F138-M146 HydrophobicContact CG-CB 4.37Å; F138-L156 HydrophobicContact CB-CD2 3.81Å; F138-L156 HydrophobicContact CD1-CD1 3.95Å; F138-L156 HydrophobicContact CD1-CD2 3.67Å; F138-L156 HydrophobicContact CD1-CG 4.49Å; F138-L156 HydrophobicContact CD2-CD2 4.06Å; F138-L156 HydrophobicContact CE1-CD1 4.07Å; F138-L156 HydrophobicContact CE1-CD2 4.32Å; F138-L156 HydrophobicContact CG-CD2 3.54Å; F138-Y173 HydrophobicContact CD1-CD1 4.45Å; F138-Y173 HydrophobicContact CD1-CD2 4.3Å; F138-Y173 HydrophobicContact CD1-CE1 4.27Å; F138-Y173 HydrophobicContact CD1-CE2 4.1Å; F138-Y173 HydrophobicContact CD1-CG 4.43Å; F138-Y173 AromaticContact CE1-CD1 3.38Å; F138-Y173 HydrophobicContact CE1-CD1 3.38Å; F138-Y173 AromaticContact CE1-CD2 3.75Å; F138-Y173 HydrophobicContact CE1-CD2 3.75Å; F138-Y173 AromaticContact CE1-CE1 3.51Å; F138-Y173 HydrophobicContact CE1-CE1 3.51Å; F138-Y173 AromaticContact CE1-CE2 3.86Å; F138-Y173 HydrophobicContact CE1-CE2 3.86Å; F138-Y173 AromaticContact CE1-CG 3.47Å; F138-Y173 HydrophobicContact CE1-CG 3.47Å; F138-Y173 VanDerWaalsContact CE1-CG 3.47Å; F138-Y173 AromaticContact CE1-CZ 3.72Å; F138-Y173 AromaticContact CZ-CD1 3.98Å; F138-Y173 HydrophobicContact CZ-CD1 3.98Å; F138-Y173 HydrophobicContact CZ-CE1 4.41Å; F138-Y173 HydrophobicContact CZ-CG 4.11Å; F138-L176 HydrophobicContact CD1-CD1 4.47Å; F138-L176 HydrophobicContact CD2-CD1 4.12Å; F138-L176 HydrophobicContact CE1-CD1 3.85Å; F138-L176 HydrophobicContact CE2-CD1 3.45Å; F138-L176 VanDerWaalsContact CE2-CD1 3.45Å; F138-L176 HydrophobicContact CE2-CD2 4.29Å; F138-L176 HydrophobicContact CE2-CG 4.33Å; F138-L176 HydrophobicContact CZ-CD1 3.31Å; F138-L176 HydrophobicContact CZ-CD2 4.45Å; F138-L176 HydrophobicContact CZ-CG 4.12Å; F138-I187 HydrophobicContact CD2-CD1 4.05Å; F138-I187 HydrophobicContact CE2-CD1 3.67Å |
| 139 | P | 69.3 | Low | 86.5 | Confident | 14 Ų | 14 | 35.9 Ų | 35.9 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -43.4 | 152.1 | -137.3 | 21.1 | -36 | 0 | 0 | 0 | 115.9 | W141 S142 A189 | P139-W141 HydrophobicContact CB-CD2 4.27Å; P139-W141 HydrophobicContact CB-CE3 4.12Å; P139-W141 HydrophobicContact CB-CH2 3.51Å; P139-W141 HydrophobicContact CB-CZ2 3.67Å; P139-W141 HydrophobicContact CB-CZ3 3.75Å; P139-W141 HydrophobicContact CG-CD2 4.4Å; P139-W141 HydrophobicContact CG-CH2 3.64Å; P139-W141 HydrophobicContact CG-CZ2 3.28Å; P139-W141 HydrophobicContact CG-CZ3 4.32Å; P139-W141 PolarHBondContact O-N 2.81Å; P139-S142 PolarHBondContact O-N 2.87Å; P139-A189 HydrophobicContact CB-CB 3.94Å; P139-A189 HydrophobicContact CG-CB 3.7Å |
| 140 | G | 63 | Low | 86.5 | Confident | 50 Ų | 50 | 34.6 Ų | 34.6 | 52% | 0.515 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -11 | -157.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | R137 | R137-G140 PolarHBondContact NH2-O 3.21Š|
| 141 | W | 67 | Low | 86.5 | Confident | 128 Ų | 128 | 37.8 Ų | 37.8 | 49% | 0.485 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -15.8 | 170.1 | 54.6 | 85.8 | 0 | 0 | 0 | 113.8 | P139 V191 | P139-W141 HydrophobicContact CB-CD2 4.27Å; P139-W141 HydrophobicContact CB-CE3 4.12Å; P139-W141 HydrophobicContact CB-CH2 3.51Å; P139-W141 HydrophobicContact CB-CZ2 3.67Å; P139-W141 HydrophobicContact CB-CZ3 3.75Å; P139-W141 HydrophobicContact CG-CD2 4.4Å; P139-W141 HydrophobicContact CG-CH2 3.64Å; P139-W141 HydrophobicContact CG-CZ2 3.28Å; P139-W141 HydrophobicContact CG-CZ3 4.32Å; P139-W141 PolarHBondContact O-N 2.81Å; W141-V191 HydrophobicContact CH2-CG2 3.8Å; W141-V191 HydrophobicContact CZ2-CG2 3.93Å; W141-V191 HydrophobicContact CZ3-CG2 4.46Å |
| 142 | S | 74.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | trans | -95.4 | 149.1 | 178.7 | 95.6 | 0 | 0 | 0 | 0 | 112 | R137 F138 P139 Q144 | R137-S142 PolarHBondContact NE-O 3.34Å; R137-S142 PolarHBondContact NH2-O 3.05Å; F138-S142 PolarHBondContact O-OG 3.37Å; P139-S142 PolarHBondContact O-N 2.87Å; S142-Q144 WeakPolarHBondContact OG-CB 3.45Å; S142-Q144 PolarHBondContact OG-N 3.36Å | ||
| 143 | Q | 84.1 | Confident | 86.8 | Confident | 74 Ų | 74 | 36.8 Ų | 36.8 | 35% | 0.346 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -96 | 40.4 | 167.2 | -65.5 | -69.1 | -33.5 | 0 | 0 | 109.8 | S85 T158 | S85-Q143 PolarHBondContact O-NE2 2.84Å; S85-Q143 VanDerWaalsContact O-NE2 3.11Å; Q143-T158 PolarHBondContact O-OG1 2.93Å |
| 144 | Q | 90.6 | Very high | 87 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.9 | -176.1 | -55 | 177.5 | -6.3 | 0 | 0 | 110.3 | F138 S142 Y157 Y173 | F138-Q144 PolarHBondContact N-O 3.5Å; S142-Q144 WeakPolarHBondContact OG-CB 3.45Å; S142-Q144 PolarHBondContact OG-N 3.36Å; Q144-Y157 VanDerWaalsContact CA-O 3.31Å; Q144-Y157 WeakPolarHBondContact CA-O 3.35Å; Q144-Y173 VanDerWaalsContact OE1-CE2 3.23Å |
| 145 | V | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.1 | 170.4 | -67.9 | 0 | 0 | 0 | 0 | 109.7 | C82 I84 Y94 L105 I135 L156 Y157 | C82-V145 HydrophobicContact CB-CG1 4.48Å; I84-V145 HydrophobicContact CD1-CG1 3.55Å; I84-V145 HydrophobicContact CG1-CG1 4.34Å; Y94-V145 HydrophobicContact CD1-CG1 3.96Å; Y94-V145 HydrophobicContact CD1-CG2 3.78Å; Y94-V145 HydrophobicContact CD2-CG1 3.58Å; Y94-V145 HydrophobicContact CE1-CG1 4.28Å; Y94-V145 HydrophobicContact CE1-CG2 4.09Å; Y94-V145 HydrophobicContact CE2-CG1 3.97Å; Y94-V145 HydrophobicContact CG-CB 4.5Å; Y94-V145 HydrophobicContact CG-CG1 3.58Å; Y94-V145 HydrophobicContact CG-CG2 4.2Å; L105-V145 HydrophobicContact CD2-CG2 4.32Å; I135-V145 HydrophobicContact CD1-CB 4.04Å; I135-V145 HydrophobicContact CD1-CG1 4.27Å; I135-V145 HydrophobicContact CD1-CG2 4.19Å; I135-V145 HydrophobicContact CG1-CB 4.06Å; I135-V145 HydrophobicContact CG1-CG1 4.46Å; V145-L156 CarbonylContact O-C 3.46Å; V145-L156 WeakPolarHBondContact O-CA 3.48Å; V145-Y157 PolarHBondContact N-O 2.89Å; V145-Y157 PolarHBondContact O-N 3.33Å |
| 146 | M | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 132.2 | 168.6 | -173.1 | -168 | 80.5 | 0 | 0 | 109.1 | F134 I135 K136 F138 V154 L156 V184 I187 | F134-M146 HydrophobicContact CD1-CE 3.9Å; F134-M146 HydrophobicContact CE1-CE 3.72Å; I135-M146 CarbonylContact C-O 3.54Å; I135-M146 VanDerWaalsContact CA-O 3.25Å; I135-M146 WeakPolarHBondContact CA-O 3.21Å; K136-M146 PolarHBondContact N-O 3.12Å; K136-M146 PolarHBondContact O-N 3.16Å; F138-M146 HydrophobicContact CB-CB 4.1Å; F138-M146 HydrophobicContact CD2-CB 4.1Å; F138-M146 HydrophobicContact CD2-CG 4.46Å; F138-M146 HydrophobicContact CD2-SD 4.17Å; F138-M146 HydrophobicContact CG-CB 4.37Å; M146-V154 HydrophobicContact CG-CG1 3.25Å; M146-V154 HydrophobicContact SD-CG1 3.57Å; M146-V154 VanDerWaalsContact SD-CG1 3.57Å; M146-L156 HydrophobicContact CB-CD2 3.73Å; M146-L156 HydrophobicContact CG-CD2 3.99Å; M146-V184 HydrophobicContact CE-CG1 3.73Å; M146-I187 HydrophobicContact CE-CB 4.02Å; M146-I187 HydrophobicContact CE-CD1 4.06Å; M146-I187 HydrophobicContact CE-CG2 3.5Å; M146-I187 HydrophobicContact SD-CB 4.44Å; M146-I187 HydrophobicContact SD-CD1 3.35Å; M146-I187 WeakPolarHBondContact SD-CD1 3.22Å; M146-I187 HydrophobicContact SD-CG1 4.47Å; M146-I187 HydrophobicContact SD-CG2 4.09Å |
| 147 | I | 94.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.7 | 172.8 | -61.2 | 172.6 | 0 | 0 | 0 | 108.1 | L96 L105 L128 F130 F134 I135 V154 S155 Y157 | L96-I147 HydrophobicContact CD1-CG2 4.2Å; L96-I147 HydrophobicContact CD2-CD1 3.84Å; L96-I147 HydrophobicContact CD2-CG1 4.23Å; L96-I147 HydrophobicContact CD2-CG2 4.12Å; L105-I147 HydrophobicContact CB-CD1 4.18Å; L105-I147 HydrophobicContact CD1-CD1 3.88Å; L105-I147 HydrophobicContact CD2-CD1 3.67Å; L105-I147 HydrophobicContact CG-CD1 4.1Å; L128-I147 HydrophobicContact CD1-CD1 4.31Å; L128-I147 HydrophobicContact CD1-CG2 4.33Å; F130-I147 HydrophobicContact CE2-CG2 3.66Å; F130-I147 HydrophobicContact CZ-CG2 4.01Å; F134-I147 WeakPolarHBondContact O-CA 3.39Å; I135-I147 HydrophobicContact CB-CG1 4.44Å; I135-I147 HydrophobicContact CD1-CG1 4.21Å; I135-I147 HydrophobicContact CG1-CG1 4.07Å; I147-V154 WeakPolarHBondContact O-CA 3.47Å; I147-S155 PolarHBondContact N-O 3.49Å; I147-S155 PolarHBondContact O-N 3.3Å; I147-Y157 HydrophobicContact CD1-CD2 3.66Å; I147-Y157 HydrophobicContact CD1-CE2 3.89Å; I147-Y157 HydrophobicContact CD1-CG 4.43Å; I147-Y157 HydrophobicContact CG1-CD2 4.29Å |
| 148 | S | 94.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 139.3 | 168.2 | -170 | 0 | 0 | 0 | 0 | 110.6 | S132 C133 F134 R153 V184 | S132-S148 WeakPolarHBondContact CA-O 3.13Å; C133-S148 PolarHBondContact N-O 3.09Å; F134-S148 PolarHBondContact O-N 3.28Å; S148-R153 WeakPolarHBondContact CA-O 3.4Å; S148-V184 WeakPolarHBondContact CB-O 3.06Å; S148-V184 WeakPolarHBondContact OG-CB 3.45Å; S148-V184 PolarHBondContact OG-N 3.44Å; S148-V184 PolarHBondContact OG-O 2.89Å |
| 149 | S | 93.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 166.4 | 162.6 | 68.3 | 0 | 0 | 0 | 0 | 111.1 | H131 D151 G152 R153 | H131-S149 CarbonylContact O-C 3.51Å; H131-S149 VanDerWaalsContact O-CA 3.24Å; H131-S149 WeakPolarHBondContact O-CA 3.38Å; S149-D151 WeakPolarHBondContact CB-OD1 3.31Å; S149-D151 PolarHBondContact O-N 2.8Å; S149-D151 PolarHBondContact OG-N 2.83Å; S149-D151 PolarHBondContact OG-OD1 2.82Å; S149-G152 PolarHBondContact OG-N 2.91Å; S149-R153 PolarHBondContact N-O 2.88Å; S149-R153 WeakPolarHBondContact OG-CA 3.15Å; S149-R153 WeakPolarHBondContact OG-CB 3.27Å; S149-R153 PolarHBondContact OG-N 2.99Å; S149-R153 PolarHBondContact OG-O 3.48Å |
| 150 | T | 90.5 | Very high | 88.7 | Confident | 86 Ų | 86 | 33.1 Ų | 33.1 | 53% | 0.528 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -18.2 | 170.6 | 52.8 | 0 | 0 | 0 | 0 | 114 | H131 C133 | H131-T150 HydrophobicContact CB-CG2 4.44Å; H131-T150 PolarHBondContact O-N 2.73Å; C133-T150 HydrophobicContact CB-CG2 3.93Å |
| 151 | D | 91.4 | Very high | 89.8 | Confident | 81 Ų | 81 | 36.5 Ų | 36.5 | 43% | 0.433 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 10.2 | -178.9 | 65.2 | 19.9 | 0 | 0 | 0 | 113.7 | S149 R153 | S149-D151 WeakPolarHBondContact CB-OD1 3.31Å; S149-D151 PolarHBondContact O-N 2.8Å; S149-D151 PolarHBondContact OG-N 2.83Å; S149-D151 PolarHBondContact OG-OD1 2.82Å; D151-R153 VanDerWaalsContact C-N 3.32Å; D151-R153 PolarHBondContact O-N 3.5Å; D151-R153 WeakPolarHBondContact OD1-CB 3.31Å; D151-R153 VanDerWaalsContact OD1-CG 3.32Å; D151-R153 WeakPolarHBondContact OD1-CG 3.38Å; D151-R153 IonicContact OD1-CZ 2.62Å; D151-R153 PolarHBondContact OD1-N 3.44Å; D151-R153 IonicContact OD1-NE 3.5Å; D151-R153 PolarHBondContact OD1-NE 2.82Å; D151-R153 IonicContact OD1-NH2 2.82Å; D151-R153 IonicContact OD2-CZ 3.2Å; D151-R153 VanDerWaalsContact OD2-CZ 3.29Å; D151-R153 IonicContact OD2-NE 3.07Å; D151-R153 PolarHBondContact OD2-NE 2.88Å; D151-R153 IonicContact OD2-NH2 2.81Å; D151-R153 PolarHBondContact OD2-NH2 2.94Å |
| 152 | G | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 83.2 | 1.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S149 F180 G182 | S149-G152 PolarHBondContact OG-N 2.91Å; G152-F180 WeakPolarHBondContact O-CB 3.15Å; G152-F180 WeakPolarHBondContact O-CD2 3.29Å; G152-F180 PolarHBondContact O-N 3.32Å; G152-G182 WeakPolarHBondContact CA-O 3.44Å |
| 153 | R | 93.6 | Very high | 91.5 | Very high | 81 Ų | 81 | 37.7 Ų | 37.7 | 31% | 0.306 | 21% | 0.214 | S | C | . | . | trans | -72.5 | 142.6 | 168.2 | -70 | 179.6 | -67 | 159.2 | -6 | 111.1 | F130 S148 S149 D151 N179 | F130-R153 VanDerWaalsContact CB-NH2 3.32Å; S148-R153 WeakPolarHBondContact CA-O 3.4Å; S149-R153 PolarHBondContact N-O 2.88Å; S149-R153 WeakPolarHBondContact OG-CA 3.15Å; S149-R153 WeakPolarHBondContact OG-CB 3.27Å; S149-R153 PolarHBondContact OG-N 2.99Å; S149-R153 PolarHBondContact OG-O 3.48Å; D151-R153 VanDerWaalsContact C-N 3.32Å; D151-R153 PolarHBondContact O-N 3.5Å; D151-R153 WeakPolarHBondContact OD1-CB 3.31Å; D151-R153 VanDerWaalsContact OD1-CG 3.32Å; D151-R153 WeakPolarHBondContact OD1-CG 3.38Å; D151-R153 IonicContact OD1-CZ 2.62Å; D151-R153 PolarHBondContact OD1-N 3.44Å; D151-R153 IonicContact OD1-NE 3.5Å; D151-R153 PolarHBondContact OD1-NE 2.82Å; D151-R153 IonicContact OD1-NH2 2.82Å; D151-R153 IonicContact OD2-CZ 3.2Å; D151-R153 VanDerWaalsContact OD2-CZ 3.29Å; D151-R153 IonicContact OD2-NE 3.07Å; D151-R153 PolarHBondContact OD2-NE 2.88Å; D151-R153 IonicContact OD2-NH2 2.81Å; D151-R153 PolarHBondContact OD2-NH2 2.94Å; R153-N179 WeakPolarHBondContact CG-OD1 3.43Å | ||
| 154 | V | 94.2 | Very high | 92 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.6 | 170.8 | 173 | 0 | 0 | 0 | 0 | 109.2 | M146 I147 L176 F180 V184 | M146-V154 HydrophobicContact CG-CG1 3.25Å; M146-V154 HydrophobicContact SD-CG1 3.57Å; M146-V154 VanDerWaalsContact SD-CG1 3.57Å; I147-V154 WeakPolarHBondContact O-CA 3.47Å; V154-L176 HydrophobicContact CG1-CB 4.36Å; V154-L176 HydrophobicContact CG1-CD1 4.27Å; V154-F180 HydrophobicContact CB-CE2 4.09Å; V154-F180 HydrophobicContact CG2-CD2 3.71Å; V154-F180 HydrophobicContact CG2-CE2 3.56Å; V154-V184 HydrophobicContact CG2-CB 4.07Å; V154-V184 HydrophobicContact CG2-CG2 3.69Å |
| 155 | S | 93.5 | Very high | 92.1 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137.4 | 174.8 | -72.7 | 0 | 0 | 0 | 0 | 110.5 | I147 K166 | I147-S155 PolarHBondContact N-O 3.49Å; I147-S155 PolarHBondContact O-N 3.3Å; S155-K166 VanDerWaalsContact OG-CE 3.27Å; S155-K166 WeakPolarHBondContact OG-CE 3.44Å; S155-K166 PolarHBondContact OG-NZ 2.84Å |
| 156 | L | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.5 | 175.8 | -66.3 | 178.5 | 0 | 0 | 0 | 109.8 | F138 V145 M146 K166 V167 Y173 L176 | F138-L156 HydrophobicContact CB-CD2 3.81Å; F138-L156 HydrophobicContact CD1-CD1 3.95Å; F138-L156 HydrophobicContact CD1-CD2 3.67Å; F138-L156 HydrophobicContact CD1-CG 4.49Å; F138-L156 HydrophobicContact CD2-CD2 4.06Å; F138-L156 HydrophobicContact CE1-CD1 4.07Å; F138-L156 HydrophobicContact CE1-CD2 4.32Å; F138-L156 HydrophobicContact CG-CD2 3.54Å; V145-L156 CarbonylContact O-C 3.46Å; V145-L156 WeakPolarHBondContact O-CA 3.48Å; M146-L156 HydrophobicContact CB-CD2 3.73Å; M146-L156 HydrophobicContact CG-CD2 3.99Å; L156-K166 WeakPolarHBondContact O-CA 3.46Å; L156-V167 HydrophobicContact CB-CB 3.86Å; L156-V167 HydrophobicContact CB-CG2 4.28Å; L156-V167 PolarHBondContact O-N 2.96Å; L156-Y173 HydrophobicContact CD1-CD2 3.21Å; L156-Y173 HydrophobicContact CD1-CE2 3.79Å; L156-Y173 HydrophobicContact CD1-CG 3.99Å; L156-L176 HydrophobicContact CD1-CD1 3.82Å; L156-L176 HydrophobicContact CD2-CD1 3.9Å; L156-L176 HydrophobicContact CG-CD1 3.94Å |
| 157 | Y | 94 | Very high | 92 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 3% | 0.027 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.3 | 174.6 | -69.4 | -99.1 | 0 | 0 | 0 | 110.2 | L105 K126 L128 F130 Q144 V145 I147 T165 K166 | L105-Y157 HydrophobicContact CD2-CD1 4.25Å; L105-Y157 HydrophobicContact CD2-CD2 4.42Å; L105-Y157 HydrophobicContact CD2-CG 3.95Å; K126-Y157 HydrophobicContact CG-CE1 4.48Å; L128-Y157 HydrophobicContact CD2-CE1 4.28Å; L128-Y157 HydrophobicContact CD2-CE2 4.24Å; L128-Y157 WeakPolarHBondContact CD2-OH 3.15Å; F130-Y157 HydrophobicContact CZ-CE2 4.47Å; Q144-Y157 VanDerWaalsContact CA-O 3.31Å; Q144-Y157 WeakPolarHBondContact CA-O 3.35Å; V145-Y157 PolarHBondContact N-O 2.89Å; V145-Y157 PolarHBondContact O-N 3.33Å; I147-Y157 HydrophobicContact CD1-CD2 3.66Å; I147-Y157 HydrophobicContact CD1-CE2 3.89Å; I147-Y157 HydrophobicContact CD1-CG 4.43Å; I147-Y157 HydrophobicContact CG1-CD2 4.29Å; Y157-T165 VanDerWaalsContact CA-O 3.31Å; Y157-T165 WeakPolarHBondContact CA-O 3.47Å; Y157-K166 HydrophobicContact CD1-CB 4.16Å; Y157-K166 HydrophobicContact CE1-CB 3.77Å; Y157-K166 HydrophobicContact CE1-CG 4.3Å |
| 158 | T | 91.6 | Very high | 91.8 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.2 | 172.7 | -167 | 0 | 0 | 0 | 0 | 109.8 | Q143 A160 T165 V167 | Q143-T158 PolarHBondContact O-OG1 2.93Å; T158-A160 HydrophobicContact CG2-CB 4.33Å; T158-T165 PolarHBondContact N-O 3.42Å; T158-T165 PolarHBondContact O-N 3.09Å; T158-V167 HydrophobicContact CG2-CG2 3.85Å |
| 159 | F | 90.5 | Very high | 91.5 | Very high | 56 Ų | 56 | 48 Ų | 48 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 111.4 | 169 | -178.4 | -108.5 | 0 | 0 | 0 | 109.2 | M107 V123 G162 | M107-F159 HydrophobicContact CE-CB 4.37Å; M107-F159 HydrophobicContact CE-CD1 3.81Å; M107-F159 HydrophobicContact CE-CD2 3.26Å; M107-F159 HydrophobicContact CE-CE1 3.78Å; M107-F159 HydrophobicContact CE-CE2 3.22Å; M107-F159 HydrophobicContact CE-CG 3.54Å; M107-F159 HydrophobicContact CE-CZ 3.49Å; M107-F159 VanDerWaalsContact CE-CZ 3.49Å; V123-F159 HydrophobicContact CG1-CE2 3.73Å; V123-F159 HydrophobicContact CG1-CZ 3.61Å; F159-G162 WeakPolarHBondContact CE2-O 3.02Å |
| 160 | A | 87.2 | Confident | 91.3 | Very high | 41 Ų | 41 | 50.4 Ų | 50.4 | 34% | 0.339 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T158 G162 H163 | T158-A160 HydrophobicContact CG2-CB 4.33Å; A160-G162 PolarHBondContact O-N 2.79Å; A160-G162 VanDerWaalsContact O-N 3.12Å; A160-H163 PolarHBondContact N-O 3.02Å; A160-H163 PolarHBondContact O-N 2.87Å |
| 161 | S | 85.8 | Confident | 91 | Very high | 122 Ų | 122 | 51.5 Ų | 51.5 | 85% | 0.853 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 36.9 | 175.2 | -53.9 | 0 | 0 | 0 | 0 | 114.4 | H163 | S161-H163 VanDerWaalsContact C-N 3.34Å; S161-H163 PolarHBondContact O-CD2 2.73Å; S161-H163 VanDerWaalsContact O-CD2 3.29Å; S161-H163 PolarHBondContact O-N 2.96Å |
| 162 | G | 86.3 | Confident | 90.7 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 37% | 0.371 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F159 A160 | F159-G162 WeakPolarHBondContact CE2-O 3.02Å; A160-G162 PolarHBondContact O-N 2.79Å; A160-G162 VanDerWaalsContact O-N 3.12Å |
| 163 | H | 91.7 | Very high | 90.6 | Very high | 124 Ų | 124 | 53.4 Ų | 53.4 | 57% | 0.574 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.9 | -175.5 | -57.3 | -68 | 0 | 0 | 0 | 113.1 | A160 S161 T165 | A160-H163 PolarHBondContact N-O 3.02Å; A160-H163 PolarHBondContact O-N 2.87Å; S161-H163 VanDerWaalsContact C-N 3.34Å; S161-H163 PolarHBondContact O-CD2 2.73Å; S161-H163 VanDerWaalsContact O-CD2 3.29Å; S161-H163 PolarHBondContact O-N 2.96Å; H163-T165 PolarHBondContact O-N 2.84Å |
| 164 | L | 94.3 | Very high | 90.5 | Very high | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 117.9 | 168.3 | -72.3 | 164.9 | 0 | 0 | 0 | 109.7 | Y94 L105 M107 K126 | Y94-L164 HydrophobicContact CD1-CD2 4Å; Y94-L164 HydrophobicContact CE1-CD2 3.58Å; L105-L164 HydrophobicContact CB-CD1 4.32Å; L105-L164 HydrophobicContact CD2-CD1 3.87Å; L105-L164 HydrophobicContact CD2-CD2 3.88Å; L105-L164 HydrophobicContact CD2-CG 4.33Å; L105-L164 HydrophobicContact CG-CD1 3.79Å; L105-L164 HydrophobicContact CG-CD2 4.48Å; L105-L164 VanDerWaalsContact O-CD1 3.24Å; L105-L164 WeakPolarHBondContact O-CD1 3.42Å; M107-L164 HydrophobicContact CB-CD1 4.09Å; M107-L164 HydrophobicContact CB-CD2 4.2Å; M107-L164 HydrophobicContact CB-CG 4.33Å; K126-L164 HydrophobicContact CB-CB 4.09Å; K126-L164 HydrophobicContact CB-CD1 4.21Å |
| 165 | T | 93.4 | Very high | 90.4 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 43% | 0.429 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.8 | -176.8 | -43.5 | 0 | 0 | 0 | 0 | 109.7 | Y157 T158 H163 | Y157-T165 VanDerWaalsContact CA-O 3.31Å; Y157-T165 WeakPolarHBondContact CA-O 3.47Å; T158-T165 PolarHBondContact N-O 3.42Å; T158-T165 PolarHBondContact O-N 3.09Å; H163-T165 PolarHBondContact O-N 2.84Å |
| 166 | K | 93.4 | Very high | 90.3 | Very high | 109 Ų | 109 | 50.1 Ų | 50.1 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 130 | 173 | -172.4 | 174.4 | 179.8 | 172.2 | 0 | 108.5 | S155 L156 Y157 | S155-K166 VanDerWaalsContact OG-CE 3.27Å; S155-K166 WeakPolarHBondContact OG-CE 3.44Å; S155-K166 PolarHBondContact OG-NZ 2.84Å; L156-K166 WeakPolarHBondContact O-CA 3.46Å; Y157-K166 HydrophobicContact CD1-CB 4.16Å; Y157-K166 HydrophobicContact CE1-CB 3.77Å; Y157-K166 HydrophobicContact CE1-CG 4.3Å |
| 167 | V | 91.5 | Very high | 90.1 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 11% | 0.109 | 31% | 0.313 | C | S | . | . | trans | -83.6 | 140.1 | 175.9 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | L156 T158 S169 | L156-V167 HydrophobicContact CB-CB 3.86Å; L156-V167 HydrophobicContact CB-CG2 4.28Å; L156-V167 PolarHBondContact O-N 2.96Å; T158-V167 HydrophobicContact CG2-CG2 3.85Å; V167-S169 PolarHBondContact O-N 3.38Å | ||
| 168 | D | 90.5 | Very high | 89.5 | Confident | 98 Ų | 98 | 57.3 Ų | 57.3 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | trans | -75 | 103.2 | 167.6 | -162.7 | -24.8 | 0 | 0 | 0 | 109.4 | A170 D171 | D168-A170 PolarHBondContact O-N 3.34Å; D168-A170 WeakPolarHBondContact OD1-CB 3.35Å; D168-A170 PolarHBondContact OD1-N 2.99Å; D168-D171 PolarHBondContact O-N 2.67Å | ||
| 169 | S | 88.9 | Confident | 89.4 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.2 | -26.1 | -179.6 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | V167 D171 H172 Y173 | V167-S169 PolarHBondContact O-N 3.38Å; S169-D171 PolarHBondContact O-N 2.82Å; S169-H172 PolarHBondContact O-N 3.1Å; S169-Y173 CarbonylContact O-C 3.39Å; S169-Y173 VanDerWaalsContact O-CA 3.31Å; S169-Y173 WeakPolarHBondContact O-CA 3.45Å; S169-Y173 PolarHBondContact O-N 2.89Å; S169-Y173 VanDerWaalsContact O-O 3.1Å |
| 170 | A | 87.6 | Confident | 89.6 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -36.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | D168 V177 | D168-A170 PolarHBondContact O-N 3.34Å; D168-A170 WeakPolarHBondContact OD1-CB 3.35Å; D168-A170 PolarHBondContact OD1-N 2.99Å; A170-V177 HydrophobicContact CB-CG2 4.06Å |
| 171 | D | 84.4 | Confident | 89.9 | Confident | 109 Ų | 109 | 58.6 Ų | 58.6 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -77 | -29.1 | -176.5 | -72.3 | -16.4 | 0 | 0 | 0 | 113.7 | D168 S169 N217 | D168-D171 PolarHBondContact O-N 2.67Å; S169-D171 PolarHBondContact O-N 2.82Å; D171-N217 PolarHBondContact O-ND2 2.81Å |
| 172 | H | 85.3 | Confident | 90.2 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -121.6 | -29.6 | -168.6 | -61.7 | 88.2 | 0 | 0 | 0 | 114.1 | S169 R196 N217 | S169-H172 PolarHBondContact O-N 3.1Å; H172-R196 PolarHBondContact O-NH2 3.29Å; H172-N217 WeakPolarHBondContact CA-ND2 3.39Å; H172-N217 PolarHBondContact N-ND2 3.41Å; H172-N217 PolarHBondContact O-ND2 3.34Å; H172-N217 PolarHBondContact O-OD1 2.92Å |
| 173 | Y | 90.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | trans | -149.1 | 64 | -172.5 | -51.9 | -69.9 | 0 | 0 | 0 | 110.7 | F138 Q144 L156 S169 E175 L176 | F138-Y173 HydrophobicContact CD1-CD1 4.45Å; F138-Y173 HydrophobicContact CD1-CD2 4.3Å; F138-Y173 HydrophobicContact CD1-CE1 4.27Å; F138-Y173 HydrophobicContact CD1-CE2 4.1Å; F138-Y173 HydrophobicContact CD1-CG 4.43Å; F138-Y173 AromaticContact CE1-CD1 3.38Å; F138-Y173 HydrophobicContact CE1-CD1 3.38Å; F138-Y173 AromaticContact CE1-CD2 3.75Å; F138-Y173 HydrophobicContact CE1-CD2 3.75Å; F138-Y173 AromaticContact CE1-CE1 3.51Å; F138-Y173 HydrophobicContact CE1-CE1 3.51Å; F138-Y173 AromaticContact CE1-CE2 3.86Å; F138-Y173 HydrophobicContact CE1-CE2 3.86Å; F138-Y173 AromaticContact CE1-CG 3.47Å; F138-Y173 HydrophobicContact CE1-CG 3.47Å; F138-Y173 VanDerWaalsContact CE1-CG 3.47Å; F138-Y173 AromaticContact CE1-CZ 3.72Å; F138-Y173 AromaticContact CZ-CD1 3.98Å; F138-Y173 HydrophobicContact CZ-CD1 3.98Å; F138-Y173 HydrophobicContact CZ-CE1 4.41Å; F138-Y173 HydrophobicContact CZ-CG 4.11Å; Q144-Y173 VanDerWaalsContact OE1-CE2 3.23Å; L156-Y173 HydrophobicContact CD1-CD2 3.21Å; L156-Y173 HydrophobicContact CD1-CE2 3.79Å; L156-Y173 HydrophobicContact CD1-CG 3.99Å; S169-Y173 CarbonylContact O-C 3.39Å; S169-Y173 VanDerWaalsContact O-CA 3.31Å; S169-Y173 WeakPolarHBondContact O-CA 3.45Å; S169-Y173 PolarHBondContact O-N 2.89Å; S169-Y173 VanDerWaalsContact O-O 3.1Å; Y173-E175 PolarHBondContact O-N 3.46Å; Y173-L176 PolarHBondContact O-N 2.83Å | ||
| 174 | P | 92.2 | Very high | 90.7 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 20% | 0.195 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -57.8 | -25.2 | -175.3 | 26.4 | -38.7 | 0 | 0 | 0 | 112.5 | L176 V177 T212 N217 V219 | P174-L176 PolarHBondContact O-N 3.22Å; P174-L176 VanDerWaalsContact O-N 3.13Å; P174-V177 PolarHBondContact O-N 2.91Å; P174-T212 HydrophobicContact CG-CG2 4.41Å; P174-N217 VanDerWaalsContact CD-ND2 3.28Å; P174-N217 WeakPolarHBondContact CD-ND2 3.35Å; P174-N217 VanDerWaalsContact CD-OD1 3.27Å; P174-N217 WeakPolarHBondContact CD-OD1 3.41Å; P174-N217 WeakPolarHBondContact CG-O 3.36Å; P174-V219 HydrophobicContact CB-CG2 4.11Å; P174-V219 HydrophobicContact CG-CG2 3.89Å |
| 175 | E | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -61 | -15.9 | 173.7 | 65 | -96.4 | -148.3 | 0 | 0 | 114.7 | Y173 R196 T198 F210 T212 V219 | Y173-E175 PolarHBondContact O-N 3.46Å; E175-R196 IonicContact OE1-CZ 2.74Å; E175-R196 VanDerWaalsContact OE1-CZ 3.29Å; E175-R196 IonicContact OE1-NE 2.92Å; E175-R196 PolarHBondContact OE1-NE 2.95Å; E175-R196 IonicContact OE1-NH2 3.05Å; E175-R196 PolarHBondContact OE1-NH2 2.72Å; E175-R196 IonicContact OE2-CZ 2.67Å; E175-R196 IonicContact OE2-NE 3.47Å; E175-R196 IonicContact OE2-NH2 2.6Å; E175-R196 PolarHBondContact OE2-NH2 2.95Å; E175-T198 HydrophobicContact CG-CG2 4.28Å; E175-T198 PolarHBondContact OE1-OG1 2.8Å; E175-T198 VanDerWaalsContact OE1-OG1 3.09Å; E175-F210 HydrophobicContact CB-CB 3.73Å; E175-F210 HydrophobicContact CB-CD1 3.65Å; E175-F210 HydrophobicContact CB-CD2 3.87Å; E175-F210 HydrophobicContact CB-CE1 4.12Å; E175-F210 HydrophobicContact CB-CE2 4.33Å; E175-F210 HydrophobicContact CB-CG 3.49Å; E175-F210 VanDerWaalsContact CB-CG 3.49Å; E175-F210 HydrophobicContact CB-CZ 4.44Å; E175-F210 HydrophobicContact CG-CB 4.41Å; E175-F210 HydrophobicContact CG-CG 4.43Å; E175-F210 WeakPolarHBondContact O-CE2 3.47Å; E175-F210 WeakPolarHBondContact O-CZ 3.41Å; E175-T212 PolarHBondContact OE2-OG1 2.89Å; E175-T212 VanDerWaalsContact OE2-OG1 3.05Å; E175-V219 HydrophobicContact CB-CG2 4.15Å |
| 176 | L | 91.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -101.5 | 1.8 | 179.6 | -55.9 | -176 | 0 | 0 | 0 | 113.6 | F138 V154 L156 Y173 P174 F180 I187 T198 | F138-L176 HydrophobicContact CD1-CD1 4.47Å; F138-L176 HydrophobicContact CD2-CD1 4.12Å; F138-L176 HydrophobicContact CE1-CD1 3.85Å; F138-L176 HydrophobicContact CE2-CD1 3.45Å; F138-L176 VanDerWaalsContact CE2-CD1 3.45Å; F138-L176 HydrophobicContact CE2-CD2 4.29Å; F138-L176 HydrophobicContact CE2-CG 4.33Å; F138-L176 HydrophobicContact CZ-CD1 3.31Å; F138-L176 HydrophobicContact CZ-CD2 4.45Å; F138-L176 HydrophobicContact CZ-CG 4.12Å; V154-L176 HydrophobicContact CG1-CB 4.36Å; V154-L176 HydrophobicContact CG1-CD1 4.27Å; L156-L176 HydrophobicContact CD1-CD1 3.82Å; L156-L176 HydrophobicContact CD2-CD1 3.9Å; L156-L176 HydrophobicContact CG-CD1 3.94Å; Y173-L176 PolarHBondContact O-N 2.83Å; P174-L176 PolarHBondContact O-N 3.22Å; P174-L176 VanDerWaalsContact O-N 3.13Å; L176-F180 HydrophobicContact CD2-CZ 4.16Å; L176-I187 HydrophobicContact CD2-CD1 4.45Å; L176-T198 HydrophobicContact CD2-CG2 4.39Å |
| 177 | V | 90.1 | Very high | 90.3 | Very high | 83 Ų | 83 | 40.3 Ų | 40.3 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -77.8 | -30.8 | -179.9 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | A170 P174 | A170-V177 HydrophobicContact CB-CG2 4.06Å; P174-V177 PolarHBondContact O-N 2.91Å |
| 178 | D | 80.5 | Confident | 90.2 | Very high | 74 Ų | 74 | 41.6 Ų | 41.6 | 40% | 0.396 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -71.4 | 150.2 | -179.9 | -73.5 | -12.4 | 0 | 0 | 0 | 112.1 | R222 | D178-R222 IonicContact OD2-NH1 2.86Å; D178-R222 PolarHBondContact OD2-NH1 2.83Å |
| 179 | N | 89.5 | Confident | 90.2 | Very high | 103 Ų | 103 | 37.4 Ų | 37.4 | 55% | 0.551 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -70.7 | 134.5 | 165.4 | -77 | -15 | 0 | 0 | 0 | 110.2 | R153 | R153-N179 WeakPolarHBondContact CG-OD1 3.43Š|
| 180 | F | 94.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 38 Ų | 38 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 155.1 | 171.7 | -67.5 | -92 | 0 | 0 | 0 | 110.9 | G152 V154 L176 G182 V184 V200 V208 F210 | G152-F180 WeakPolarHBondContact O-CB 3.15Å; G152-F180 WeakPolarHBondContact O-CD2 3.29Å; G152-F180 PolarHBondContact O-N 3.32Å; V154-F180 HydrophobicContact CB-CE2 4.09Å; V154-F180 HydrophobicContact CG2-CD2 3.71Å; V154-F180 HydrophobicContact CG2-CE2 3.56Å; L176-F180 HydrophobicContact CD2-CZ 4.16Å; F180-G182 PolarHBondContact O-N 3.21Å; F180-G182 VanDerWaalsContact O-N 3.16Å; F180-V184 HydrophobicContact CB-CG2 3.86Å; F180-V184 HydrophobicContact CD1-CG2 3.98Å; F180-V184 HydrophobicContact CD2-CG2 3.69Å; F180-V184 HydrophobicContact CE1-CG2 4.48Å; F180-V184 HydrophobicContact CE2-CG2 4.25Å; F180-V184 HydrophobicContact CG-CG2 3.55Å; F180-V200 HydrophobicContact CD1-CB 4.24Å; F180-V200 HydrophobicContact CD1-CG1 3.87Å; F180-V200 HydrophobicContact CE1-CB 3.76Å; F180-V200 HydrophobicContact CE1-CG1 3.71Å; F180-V200 HydrophobicContact CE1-CG2 3.65Å; F180-V200 HydrophobicContact CZ-CG1 4.37Å; F180-V200 HydrophobicContact CZ-CG2 4.01Å; F180-V208 HydrophobicContact CD1-CB 4.08Å; F180-V208 HydrophobicContact CD1-CG2 3.89Å; F180-V208 HydrophobicContact CE1-CB 4.08Å; F180-V208 HydrophobicContact CE1-CG1 4.3Å; F180-V208 HydrophobicContact CE1-CG2 4.4Å; F180-F210 AromaticContact CE1-CE2 3.72Å; F180-F210 HydrophobicContact CE1-CE2 3.72Å; F180-F210 HydrophobicContact CE1-CZ 4.23Å; F180-F210 AromaticContact CZ-CE2 3.96Å; F180-F210 HydrophobicContact CZ-CE2 3.96Å; F180-F210 HydrophobicContact CZ-CZ 4.38Å |
| 181 | P | 93.7 | Very high | 90.1 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 31% | 0.312 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -57.1 | -30.3 | -179.7 | -28 | 37.2 | 0 | 0 | 0 | 114.2 | H206 V208 E224 | P181-H206 HydrophobicContact CB-CB 4.15Å; P181-H206 HydrophobicContact CG-CB 4.15Å; P181-V208 HydrophobicContact CG-CG2 4.26Å; P181-E224 HydrophobicContact CG-CG 4.09Å; P181-E224 WeakPolarHBondContact CG-OE1 3.44Å |
| 182 | G | 93 | Very high | 90.2 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 12% | 0.124 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -150.9 | -178.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G152 F180 V184 | G152-G182 WeakPolarHBondContact CA-O 3.44Å; F180-G182 PolarHBondContact O-N 3.21Å; F180-G182 VanDerWaalsContact O-N 3.16Å; G182-V184 PolarHBondContact O-N 3.03Å |
| 183 | A | 93.5 | Very high | 90.1 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | trans | -54.7 | 125.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I185 C202 G203 | A183-I185 PolarHBondContact O-N 3.29Å; A183-C202 CarbonylContact O-C 3.56Å; A183-C202 WeakPolarHBondContact O-CA 3.31Å; A183-G203 PolarHBondContact O-N 2.83Å | ||
| 184 | V | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 120.9 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | F134 M146 S148 V154 F180 G182 V200 | F134-V184 VanDerWaalsContact CB-O 3.24Å; F134-V184 WeakPolarHBondContact CB-O 3.44Å; F134-V184 WeakPolarHBondContact CD1-O 3.14Å; F134-V184 WeakPolarHBondContact CG-O 3.38Å; M146-V184 HydrophobicContact CE-CG1 3.73Å; S148-V184 WeakPolarHBondContact CB-O 3.06Å; S148-V184 WeakPolarHBondContact OG-CB 3.45Å; S148-V184 PolarHBondContact OG-N 3.44Å; S148-V184 PolarHBondContact OG-O 2.89Å; V154-V184 HydrophobicContact CG2-CB 4.07Å; V154-V184 HydrophobicContact CG2-CG2 3.69Å; F180-V184 HydrophobicContact CB-CG2 3.86Å; F180-V184 HydrophobicContact CD1-CG2 3.98Å; F180-V184 HydrophobicContact CD2-CG2 3.69Å; F180-V184 HydrophobicContact CE1-CG2 4.48Å; F180-V184 HydrophobicContact CE2-CG2 4.25Å; F180-V184 HydrophobicContact CG-CG2 3.55Å; G182-V184 PolarHBondContact O-N 3.03Å; V184-V200 HydrophobicContact CB-CG1 3.91Å; V184-V200 HydrophobicContact CG1-CG1 3.33Å; V184-V200 HydrophobicContact CG2-CG1 3.4Å |
| 185 | I | 91.4 | Very high | 89.9 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | -8 | -176.8 | 56.4 | 174.8 | 0 | 0 | 0 | 113.1 | F134 A183 G201 G203 A231 I232 | F134-I185 WeakPolarHBondContact CE2-O 3.4Å; F134-I185 WeakPolarHBondContact CZ-O 3.21Å; A183-I185 PolarHBondContact O-N 3.29Å; I185-G201 PolarHBondContact N-O 2.8Å; I185-G203 VanDerWaalsContact CD1-CA 3.5Å; I185-A231 HydrophobicContact CD1-CB 3.71Å; I185-I232 WeakPolarHBondContact CD1-O 3.47Å; I185-I232 VanDerWaalsContact CG1-O 3.25Å; I185-I232 WeakPolarHBondContact CG1-O 3.42Å |
| 186 | A | 90.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 44 Ų | 44 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 143.8 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | V200 G201 I232 L235 | A186-V200 WeakPolarHBondContact O-CA 3.41Å; A186-G201 PolarHBondContact N-O 2.91Å; A186-G201 VanDerWaalsContact N-O 3.08Å; A186-G201 PolarHBondContact O-N 2.86Å; A186-I232 HydrophobicContact CB-CG2 4.09Å; A186-L235 HydrophobicContact CB-CB 3.88Å |
| 187 | I | 90.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 144.6 | 171.8 | -173.3 | 163.6 | 0 | 0 | 0 | 109.6 | F134 K136 F138 M146 L176 T198 A199 V200 | F134-I187 HydrophobicContact CE1-CG2 4.28Å; K136-I187 HydrophobicContact CB-CG2 4.29Å; K136-I187 HydrophobicContact CD-CG2 3.8Å; K136-I187 WeakPolarHBondContact CE-O 3.4Å; K136-I187 HydrophobicContact CG-CG2 4.27Å; K136-I187 PolarHBondContact NZ-O 2.89Å; F138-I187 HydrophobicContact CD2-CD1 4.05Å; F138-I187 HydrophobicContact CE2-CD1 3.67Å; M146-I187 HydrophobicContact CE-CB 4.02Å; M146-I187 HydrophobicContact CE-CD1 4.06Å; M146-I187 HydrophobicContact CE-CG2 3.5Å; M146-I187 HydrophobicContact SD-CB 4.44Å; M146-I187 HydrophobicContact SD-CD1 3.35Å; M146-I187 WeakPolarHBondContact SD-CD1 3.22Å; M146-I187 HydrophobicContact SD-CG1 4.47Å; M146-I187 HydrophobicContact SD-CG2 4.09Å; L176-I187 HydrophobicContact CD2-CD1 4.45Å; I187-T198 HydrophobicContact CD1-CG2 3.98Å; I187-T198 HydrophobicContact CG1-CG2 4.37Å; I187-A199 CarbonylContact C-O 3.38Å; I187-A199 VanDerWaalsContact CA-O 3.3Å; I187-A199 WeakPolarHBondContact CA-O 3.41Å; I187-A199 WeakPolarHBondContact CG1-O 3.45Å; I187-V200 HydrophobicContact CD1-CG2 3.97Å; I187-V200 HydrophobicContact CG1-CG2 4.09Å |
| 188 | D | 89.7 | Confident | 89.9 | Confident | 45 Ų | 45 | 40.5 Ų | 40.5 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 152.6 | 165 | -160.4 | 8.2 | 0 | 0 | 0 | 110 | A199 L235 I236 L237 | D188-A199 PolarHBondContact N-O 2.88Å; D188-A199 PolarHBondContact O-N 2.84Å; D188-L235 HydrophobicContact CB-CD2 3.86Å; D188-I236 WeakPolarHBondContact OD2-CA 3.44Å; D188-L237 HydrophobicContact CB-CB 4.44Å; D188-L237 HydrophobicContact CB-CD1 4.32Å; D188-L237 HydrophobicContact CB-CG 4.1Å; D188-L237 PolarHBondContact OD2-N 2.89Å |
| 189 | A | 89.7 | Confident | 90.5 | Very high | 10 Ų | 10 | 37 Ų | 37 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 139.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P139 I197 T198 | P139-A189 HydrophobicContact CB-CB 3.94Å; P139-A189 HydrophobicContact CG-CB 3.7Å; A189-I197 CarbonylContact C-O 3.57Å; A189-I197 WeakPolarHBondContact CA-O 3.21Å; A189-T198 HydrophobicContact CB-CG2 4.41Å |
| 190 | A | 87.9 | Confident | 90.7 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R196 I197 L237 M245 | A190-R196 CarbonylContact O-C 3.47Å; A190-R196 WeakPolarHBondContact O-CA 3.37Å; A190-I197 PolarHBondContact N-O 3.48Å; A190-I197 PolarHBondContact O-N 2.83Å; A190-L237 HydrophobicContact CB-CD1 4.4Å; A190-M245 HydrophobicContact CB-CE 3.59Å |
| 191 | V | 87.1 | Confident | 90.6 | Very high | 60 Ų | 60 | 31.7 Ų | 31.7 | 36% | 0.364 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.8 | 171.5 | -179.1 | 0 | 0 | 0 | 0 | 108.8 | W141 T195 R196 H214 | W141-V191 HydrophobicContact CH2-CG2 3.8Å; W141-V191 HydrophobicContact CZ2-CG2 3.93Å; W141-V191 HydrophobicContact CZ3-CG2 4.46Å; V191-T195 CarbonylContact C-O 3.6Å; V191-T195 WeakPolarHBondContact CA-O 3.46Å; V191-R196 HydrophobicContact CG2-CB 4.23Å; V191-R196 HydrophobicContact CG2-CG 4.28Å; V191-H214 HydrophobicContact CG1-CB 4.46Å |
| 192 | I | 85.7 | Confident | 90.6 | Very high | 33 Ų | 33 | 29.4 Ų | 29.4 | 17% | 0.169 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 129.9 | 178.1 | -162.1 | 147.5 | 0 | 0 | 0 | 109.7 | K194 T195 I197 G243 M245 | I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.33Å; I192-K194 VanDerWaalsContact O-N 3.16Å; I192-T195 PolarHBondContact N-O 2.8Å; I192-T195 WeakPolarHBondContact O-CA 3.4Å; I192-T195 WeakPolarHBondContact O-CB 3.5Å; I192-T195 PolarHBondContact O-N 3.01Å; I192-T195 VanDerWaalsContact O-O 3.05Å; I192-I197 HydrophobicContact CG2-CD1 4.14Å; I192-I197 HydrophobicContact CG2-CG1 4.4Å; I192-G243 VanDerWaalsContact CD1-C 3.48Å; I192-G243 WeakPolarHBondContact CD1-O 3.13Å; I192-M245 HydrophobicContact CD1-CG 4.06Å; I192-M245 HydrophobicContact CD1-SD 3.77Å; I192-M245 HydrophobicContact CG2-CG 3.97Å |
| 193 | N | 84.6 | Confident | 90.6 | Very high | 140 Ų | 140 | 30.3 Ų | 30.3 | 75% | 0.749 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 47.9 | 178.9 | -62.7 | -26.9 | 0 | 0 | 0 | 113.9 | T195 | N193-T195 PolarHBondContact O-N 2.84Å; N193-T195 VanDerWaalsContact O-N 3.12Å |
| 194 | K | 89 | Confident | 90.6 | Very high | 164 Ų | 164 | 31.8 Ų | 31.8 | 71% | 0.713 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 11.2 | -177 | -51.5 | 176.1 | -179.9 | 176.2 | 0 | 115.1 | I192 H214 | I192-K194 VanDerWaalsContact C-N 3.29Å; I192-K194 PolarHBondContact O-N 3.33Å; I192-K194 VanDerWaalsContact O-N 3.16Å; K194-H214 WeakPolarHBondContact O-CB 3.44Å; K194-H214 PolarHBondContact O-N 3.48Å |
| 195 | T | 89.6 | Confident | 90.5 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.5 | 173.7 | -57 | 0 | 0 | 0 | 0 | 108.6 | V191 I192 N193 I197 R211 L220 | V191-T195 CarbonylContact C-O 3.6Å; V191-T195 WeakPolarHBondContact CA-O 3.46Å; I192-T195 PolarHBondContact N-O 2.8Å; I192-T195 WeakPolarHBondContact O-CA 3.4Å; I192-T195 WeakPolarHBondContact O-CB 3.5Å; I192-T195 PolarHBondContact O-N 3.01Å; I192-T195 VanDerWaalsContact O-O 3.05Å; N193-T195 PolarHBondContact O-N 2.84Å; N193-T195 VanDerWaalsContact O-N 3.12Å; T195-I197 HydrophobicContact CG2-CG1 4.45Å; T195-R211 HydrophobicContact CG2-CB 3.79Å; T195-R211 HydrophobicContact CG2-CG 4.41Å; T195-L220 HydrophobicContact CG2-CD1 4.48Å |
| 196 | R | 90.6 | Very high | 90.6 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 2% | 0.023 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.7 | 168.7 | -177.2 | 171.3 | 64.2 | -125.1 | -0.3 | 107.7 | H172 E175 A190 V191 T212 H214 N217 | H172-R196 PolarHBondContact O-NH2 3.29Å; E175-R196 IonicContact OE1-CZ 2.74Å; E175-R196 VanDerWaalsContact OE1-CZ 3.29Å; E175-R196 IonicContact OE1-NE 2.92Å; E175-R196 PolarHBondContact OE1-NE 2.95Å; E175-R196 IonicContact OE1-NH2 3.05Å; E175-R196 PolarHBondContact OE1-NH2 2.72Å; E175-R196 IonicContact OE2-CZ 2.67Å; E175-R196 IonicContact OE2-NE 3.47Å; E175-R196 IonicContact OE2-NH2 2.6Å; E175-R196 PolarHBondContact OE2-NH2 2.95Å; A190-R196 CarbonylContact O-C 3.47Å; A190-R196 WeakPolarHBondContact O-CA 3.37Å; V191-R196 HydrophobicContact CG2-CB 4.23Å; V191-R196 HydrophobicContact CG2-CG 4.28Å; R196-T212 PolarHBondContact N-O 3.34Å; R196-T212 VanDerWaalsContact NH2-CG2 3.29Å; R196-T212 PolarHBondContact O-N 2.82Å; R196-H214 HydrophobicContact CB-CB 4.5Å; R196-N217 PolarHBondContact NH2-OD1 3.42Å |
| 197 | I | 90.6 | Very high | 90.6 | Very high | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.056 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.8 | 170.6 | -53.7 | -167.1 | 0 | 0 | 0 | 107.1 | A189 A190 I192 T195 V209 F210 R211 L237 M245 V262 | A189-I197 CarbonylContact C-O 3.57Å; A189-I197 WeakPolarHBondContact CA-O 3.21Å; A190-I197 PolarHBondContact N-O 3.48Å; A190-I197 PolarHBondContact O-N 2.83Å; I192-I197 HydrophobicContact CG2-CD1 4.14Å; I192-I197 HydrophobicContact CG2-CG1 4.4Å; T195-I197 HydrophobicContact CG2-CG1 4.45Å; I197-V209 HydrophobicContact CG2-CG1 3.69Å; I197-F210 WeakPolarHBondContact CA-O 3.31Å; I197-R211 HydrophobicContact CG1-CG 4.49Å; I197-L237 HydrophobicContact CB-CD1 4.43Å; I197-L237 HydrophobicContact CG2-CD1 4.11Å; I197-M245 HydrophobicContact CD1-CB 3.91Å; I197-M245 HydrophobicContact CD1-CG 3.73Å; I197-V262 HydrophobicContact CD1-CG2 4.12Å; I197-V262 HydrophobicContact CG2-CG2 4.03Å |
| 198 | T | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.7 | 176 | -58.9 | 0 | 0 | 0 | 0 | 107.5 | E175 L176 I187 A189 V200 V209 F210 | E175-T198 HydrophobicContact CG-CG2 4.28Å; E175-T198 PolarHBondContact OE1-OG1 2.8Å; E175-T198 VanDerWaalsContact OE1-OG1 3.09Å; L176-T198 HydrophobicContact CD2-CG2 4.39Å; I187-T198 HydrophobicContact CD1-CG2 3.98Å; I187-T198 HydrophobicContact CG1-CG2 4.37Å; A189-T198 HydrophobicContact CB-CG2 4.41Å; T198-V200 HydrophobicContact CG2-CG2 4.28Å; T198-V209 CarbonylContact O-C 3.57Å; T198-V209 WeakPolarHBondContact O-CA 3.44Å; T198-F210 PolarHBondContact N-O 2.82Å; T198-F210 PolarHBondContact O-N 2.82Å |
| 199 | A | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I187 D188 V208 V209 L235 L237 | I187-A199 CarbonylContact C-O 3.38Å; I187-A199 VanDerWaalsContact CA-O 3.3Å; I187-A199 WeakPolarHBondContact CA-O 3.41Å; I187-A199 WeakPolarHBondContact CG1-O 3.45Å; D188-A199 PolarHBondContact N-O 2.88Å; D188-A199 PolarHBondContact O-N 2.84Å; A199-V208 CarbonylContact C-O 3.48Å; A199-V208 WeakPolarHBondContact CA-O 3.48Å; A199-V209 HydrophobicContact CB-CG1 4.22Å; A199-V209 HydrophobicContact CB-CG2 3.96Å; A199-L235 HydrophobicContact CB-CD1 4.07Å; A199-L235 HydrophobicContact CB-CD2 3.45Å; A199-L235 VanDerWaalsContact CB-CD2 3.45Å; A199-L235 HydrophobicContact CB-CG 4.4Å; A199-L237 HydrophobicContact CB-CD1 4.09Å; A199-L237 HydrophobicContact CB-CD2 3.86Å; A199-L237 HydrophobicContact CB-CG 4.12Å |
| 200 | V | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 132.4 | -168.5 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | F180 V184 A186 I187 T198 I207 V208 | F180-V200 HydrophobicContact CD1-CB 4.24Å; F180-V200 HydrophobicContact CD1-CG1 3.87Å; F180-V200 HydrophobicContact CE1-CB 3.76Å; F180-V200 HydrophobicContact CE1-CG1 3.71Å; F180-V200 HydrophobicContact CE1-CG2 3.65Å; F180-V200 HydrophobicContact CZ-CG1 4.37Å; F180-V200 HydrophobicContact CZ-CG2 4.01Å; V184-V200 HydrophobicContact CB-CG1 3.91Å; V184-V200 HydrophobicContact CG1-CG1 3.33Å; V184-V200 HydrophobicContact CG2-CG1 3.4Å; A186-V200 WeakPolarHBondContact O-CA 3.41Å; I187-V200 HydrophobicContact CD1-CG2 3.97Å; I187-V200 HydrophobicContact CG1-CG2 4.09Å; T198-V200 HydrophobicContact CG2-CG2 4.28Å; V200-I207 CarbonylContact O-C 3.59Å; V200-I207 VanDerWaalsContact O-CA 3.25Å; V200-I207 WeakPolarHBondContact O-CA 3.15Å; V200-V208 HydrophobicContact CB-CB 4.49Å; V200-V208 PolarHBondContact N-O 2.84Å; V200-V208 PolarHBondContact O-N 2.79Å |
| 201 | G | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I185 A186 | I185-G201 PolarHBondContact N-O 2.8Å; A186-G201 PolarHBondContact N-O 2.91Å; A186-G201 VanDerWaalsContact N-O 3.08Å; A186-G201 PolarHBondContact O-N 2.86Å |
| 202 | C | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 156.9 | -173.4 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | A183 D204 G205 H206 I232 | A183-C202 CarbonylContact O-C 3.56Å; A183-C202 WeakPolarHBondContact O-CA 3.31Å; C202-D204 WeakPolarHBondContact CB-OD1 3.29Å; C202-D204 PolarHBondContact O-N 2.71Å; C202-G205 PolarHBondContact O-N 3.2Å; C202-G205 VanDerWaalsContact O-N 3.15Å; C202-H206 HydrophobicContact CB-CB 4.12Å; C202-H206 PolarHBondContact N-O 3.03Å; C202-I232 PolarHBondContact O-N 3.2Å; C202-I232 VanDerWaalsContact O-N 3.08Å |
| 203 | G | 93.1 | Very high | 91.7 | Very high | 32 Ų | 32 | 28.9 Ų | 28.9 | 33% | 0.33 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | A183 I185 A231 | A183-G203 PolarHBondContact O-N 2.83Å; I185-G203 VanDerWaalsContact CD1-CA 3.5Å; G203-A231 VanDerWaalsContact O-CA 3.25Å; G203-A231 WeakPolarHBondContact O-CA 3.41Å; G203-A231 WeakPolarHBondContact O-CB 3.21Å; G203-A231 PolarHBondContact O-N 3.36Å |
| 204 | D | 92.5 | Very high | 91.8 | Very high | 49 Ų | 49 | 26 Ų | 26 | 26% | 0.262 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 5 | 176.4 | 67.7 | -12.4 | 0 | 0 | 0 | 113.2 | C202 H206 K226 | C202-D204 WeakPolarHBondContact CB-OD1 3.29Å; C202-D204 PolarHBondContact O-N 2.71Å; D204-H206 IonicContact OD1-CG 3.83Å; D204-H206 PolarHBondContact OD1-N 2.66Å; D204-H206 VanDerWaalsContact OD1-N 3.14Å; D204-H206 IonicContact OD1-ND1 2.74Å; D204-H206 PolarHBondContact OD1-ND1 2.97Å; D204-H206 IonicContact OD2-CE1 3.5Å; D204-H206 PolarHBondContact OD2-CE1 3.23Å; D204-H206 IonicContact OD2-CG 3.21Å; D204-H206 IonicContact OD2-ND1 3.43Å; D204-H206 PolarHBondContact OD2-ND1 3.06Å; D204-K226 WeakPolarHBondContact O-CE 3.49Å |
| 205 | G | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 87.4 | 5.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | C202 L227 F228 V230 | C202-G205 PolarHBondContact O-N 3.2Å; C202-G205 VanDerWaalsContact O-N 3.15Å; G205-L227 PolarHBondContact O-N 2.88Å; G205-L227 VanDerWaalsContact O-N 3.12Å; G205-F228 WeakPolarHBondContact CA-O 3.44Å; G205-F228 PolarHBondContact O-N 2.78Å; G205-V230 WeakPolarHBondContact CA-O 3.43Å; G205-V230 PolarHBondContact N-O 2.85Å |
| 206 | H | 93.5 | Very high | 91.7 | Very high | 35 Ų | 35 | 27.9 Ų | 27.9 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 146.5 | 169.3 | -73.2 | 89.8 | 0 | 0 | 0 | 112.3 | P181 C202 D204 M225 K226 | P181-H206 HydrophobicContact CB-CB 4.15Å; P181-H206 HydrophobicContact CG-CB 4.15Å; C202-H206 HydrophobicContact CB-CB 4.12Å; C202-H206 PolarHBondContact N-O 3.03Å; D204-H206 IonicContact OD1-CG 3.83Å; D204-H206 PolarHBondContact OD1-N 2.66Å; D204-H206 VanDerWaalsContact OD1-N 3.14Å; D204-H206 IonicContact OD1-ND1 2.74Å; D204-H206 PolarHBondContact OD1-ND1 2.97Å; D204-H206 IonicContact OD2-CE1 3.5Å; D204-H206 PolarHBondContact OD2-CE1 3.23Å; D204-H206 IonicContact OD2-CG 3.21Å; D204-H206 IonicContact OD2-ND1 3.43Å; D204-H206 PolarHBondContact OD2-ND1 3.06Å; H206-M225 CarbonylContact C-O 3.58Å; H206-M225 WeakPolarHBondContact CA-O 3.36Å; H206-K226 WeakPolarHBondContact NE2-CB 3.35Å |
| 207 | I | 91.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.4 | 158.3 | -63.9 | -166.6 | 0 | 0 | 0 | 108.8 | V200 V209 E224 M225 L227 I232 L235 V249 | V200-I207 CarbonylContact O-C 3.59Å; V200-I207 VanDerWaalsContact O-CA 3.25Å; V200-I207 WeakPolarHBondContact O-CA 3.15Å; I207-V209 HydrophobicContact CG2-CG2 3.66Å; I207-E224 WeakPolarHBondContact O-CA 3.35Å; I207-M225 PolarHBondContact N-O 2.72Å; I207-M225 PolarHBondContact O-N 2.92Å; I207-L227 HydrophobicContact CB-CD1 4.22Å; I207-L227 HydrophobicContact CD1-CD1 3.39Å; I207-L227 HydrophobicContact CD1-CG 4.49Å; I207-L227 HydrophobicContact CG1-CD1 3.79Å; I207-L227 HydrophobicContact CG1-CG 4.43Å; I207-I232 HydrophobicContact CG1-CD1 4.21Å; I207-I232 HydrophobicContact CG1-CG1 4.34Å; I207-L235 HydrophobicContact CD1-CD1 3.94Å; I207-L235 HydrophobicContact CG1-CD1 4.37Å; I207-L235 HydrophobicContact CG2-CD1 4.1Å; I207-V249 HydrophobicContact CD1-CB 4.02Å; I207-V249 HydrophobicContact CD1-CG1 3.57Å; I207-V249 HydrophobicContact CD1-CG2 3.24Å; I207-V249 HydrophobicContact CG1-CG1 4.49Å |
| 208 | V | 92.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127 | 168.7 | -168.4 | 0 | 0 | 0 | 0 | 108.4 | F180 P181 A199 V200 F210 R222 L223 E224 | F180-V208 HydrophobicContact CD1-CB 4.08Å; F180-V208 HydrophobicContact CD1-CG2 3.89Å; F180-V208 HydrophobicContact CE1-CB 4.08Å; F180-V208 HydrophobicContact CE1-CG1 4.3Å; F180-V208 HydrophobicContact CE1-CG2 4.4Å; P181-V208 HydrophobicContact CG-CG2 4.26Å; A199-V208 CarbonylContact C-O 3.48Å; A199-V208 WeakPolarHBondContact CA-O 3.48Å; V200-V208 HydrophobicContact CB-CB 4.49Å; V200-V208 PolarHBondContact N-O 2.84Å; V200-V208 PolarHBondContact O-N 2.79Å; V208-F210 HydrophobicContact CB-CE2 4.25Å; V208-F210 HydrophobicContact CG1-CD2 4.12Å; V208-F210 HydrophobicContact CG1-CE1 4.46Å; V208-F210 HydrophobicContact CG1-CE2 3.4Å; V208-F210 VanDerWaalsContact CG1-CE2 3.4Å; V208-F210 HydrophobicContact CG1-CZ 3.61Å; V208-R222 HydrophobicContact CG1-CG 4.03Å; V208-L223 CarbonylContact C-O 3.6Å; V208-L223 VanDerWaalsContact CA-O 3.23Å; V208-L223 WeakPolarHBondContact CA-O 3.38Å; V208-L223 WeakPolarHBondContact CG1-O 3.38Å; V208-E224 HydrophobicContact CG2-CB 4.46Å; V208-E224 HydrophobicContact CG2-CG 4.13Å |
| 209 | V | 91.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.4 | 175.3 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | I197 T198 A199 I207 L223 V262 | I197-V209 HydrophobicContact CG2-CG1 3.69Å; T198-V209 CarbonylContact O-C 3.57Å; T198-V209 WeakPolarHBondContact O-CA 3.44Å; A199-V209 HydrophobicContact CB-CG1 4.22Å; A199-V209 HydrophobicContact CB-CG2 3.96Å; I207-V209 HydrophobicContact CG2-CG2 3.66Å; V209-L223 HydrophobicContact CB-CB 4.38Å; V209-L223 HydrophobicContact CB-CD2 4.19Å; V209-L223 HydrophobicContact CG2-CD2 4.13Å; V209-L223 PolarHBondContact N-O 2.88Å; V209-L223 PolarHBondContact O-N 2.89Å; V209-V262 HydrophobicContact CB-CG1 3.65Å; V209-V262 HydrophobicContact CG1-CB 4.34Å; V209-V262 HydrophobicContact CG1-CG1 3.45Å; V209-V262 VanDerWaalsContact CG1-CG1 3.45Å; V209-V262 HydrophobicContact CG1-CG2 3.91Å; V209-V262 HydrophobicContact CG2-CG1 4Å |
| 210 | F | 92.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.3 | 174.9 | -60.5 | -95.2 | 0 | 0 | 0 | 109.9 | E175 F180 I197 T198 V208 V219 D221 R222 | E175-F210 HydrophobicContact CB-CB 3.73Å; E175-F210 HydrophobicContact CB-CD1 3.65Å; E175-F210 HydrophobicContact CB-CD2 3.87Å; E175-F210 HydrophobicContact CB-CE1 4.12Å; E175-F210 HydrophobicContact CB-CE2 4.33Å; E175-F210 HydrophobicContact CB-CG 3.49Å; E175-F210 VanDerWaalsContact CB-CG 3.49Å; E175-F210 HydrophobicContact CB-CZ 4.44Å; E175-F210 HydrophobicContact CG-CB 4.41Å; E175-F210 HydrophobicContact CG-CG 4.43Å; E175-F210 WeakPolarHBondContact O-CE2 3.47Å; E175-F210 WeakPolarHBondContact O-CZ 3.41Å; F180-F210 AromaticContact CE1-CE2 3.72Å; F180-F210 HydrophobicContact CE1-CE2 3.72Å; F180-F210 HydrophobicContact CE1-CZ 4.23Å; F180-F210 AromaticContact CZ-CE2 3.96Å; F180-F210 HydrophobicContact CZ-CE2 3.96Å; F180-F210 HydrophobicContact CZ-CZ 4.38Å; I197-F210 WeakPolarHBondContact CA-O 3.31Å; T198-F210 PolarHBondContact N-O 2.82Å; T198-F210 PolarHBondContact O-N 2.82Å; V208-F210 HydrophobicContact CB-CE2 4.25Å; V208-F210 HydrophobicContact CG1-CD2 4.12Å; V208-F210 HydrophobicContact CG1-CE1 4.46Å; V208-F210 HydrophobicContact CG1-CE2 3.4Å; V208-F210 VanDerWaalsContact CG1-CE2 3.4Å; V208-F210 HydrophobicContact CG1-CZ 3.61Å; F210-V219 HydrophobicContact CD1-CG1 4.03Å; F210-D221 WeakPolarHBondContact CA-O 3.21Å; F210-R222 HydrophobicContact CD1-CB 3.89Å; F210-R222 HydrophobicContact CD1-CG 4.07Å; F210-R222 HydrophobicContact CE1-CB 3.85Å; F210-R222 HydrophobicContact CE1-CG 3.63Å; F210-R222 HydrophobicContact CZ-CG 4.11Å |
| 211 | R | 91.6 | Very high | 91.6 | Very high | 118 Ų | 118 | 46.8 Ų | 46.8 | 45% | 0.445 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.6 | 157.5 | -54.7 | -176.9 | -81.8 | -168.7 | -4.8 | 108.2 | T195 I197 L220 D221 | T195-R211 HydrophobicContact CG2-CB 3.79Å; T195-R211 HydrophobicContact CG2-CG 4.41Å; I197-R211 HydrophobicContact CG1-CG 4.49Å; R211-L220 HydrophobicContact CB-CB 4.48Å; R211-L220 WeakPolarHBondContact O-CA 3.36Å; R211-L220 VanDerWaalsContact O-CB 3.31Å; R211-L220 WeakPolarHBondContact O-CB 3.48Å; R211-L220 PolarHBondContact O-N 2.86Å; R211-D221 WeakPolarHBondContact CB-OD1 3.37Å; R211-D221 WeakPolarHBondContact CG-OD1 3.32Å; R211-D221 IonicContact CZ-OD2 2.73Å; R211-D221 PolarHBondContact N-O 3.39Å; R211-D221 PolarHBondContact N-OD1 3.34Å; R211-D221 VanDerWaalsContact N-OD1 3.07Å; R211-D221 VanDerWaalsContact NE-CG 3.28Å; R211-D221 IonicContact NE-OD1 3.29Å; R211-D221 PolarHBondContact NE-OD1 3.49Å; R211-D221 VanDerWaalsContact NE-OD1 3.13Å; R211-D221 IonicContact NE-OD2 3.1Å; R211-D221 PolarHBondContact NE-OD2 3.12Å; R211-D221 IonicContact NH2-OD2 2.67Å; R211-D221 PolarHBondContact NH2-OD2 2.98Å; R211-D221 PolarHBondContact O-N 2.88Å |
| 212 | T | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.8 | 178.5 | -60 | 0 | 0 | 0 | 0 | 109 | P174 E175 R196 H214 R218 | P174-T212 HydrophobicContact CG-CG2 4.41Å; E175-T212 PolarHBondContact OE2-OG1 2.89Å; E175-T212 VanDerWaalsContact OE2-OG1 3.05Å; R196-T212 PolarHBondContact N-O 3.34Å; R196-T212 VanDerWaalsContact NH2-CG2 3.29Å; R196-T212 PolarHBondContact O-N 2.82Å; T212-H214 PolarHBondContact O-N 2.75Å; T212-H214 VanDerWaalsContact O-N 3.08Å; T212-R218 CarbonylContact C-O 3.59Å; T212-R218 WeakPolarHBondContact CA-O 3.25Å |
| 213 | A | 92.4 | Very high | 91.3 | Very high | 12 Ų | 12 | 52 Ų | 52 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 112.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | C215 L216 N217 R218 L220 | A213-C215 PolarHBondContact O-N 2.93Å; A213-L216 HydrophobicContact CB-CB 4.13Å; A213-L216 HydrophobicContact CB-CD1 4.49Å; A213-L216 PolarHBondContact O-N 2.93Å; A213-N217 VanDerWaalsContact O-CA 3.29Å; A213-N217 WeakPolarHBondContact O-CA 3.44Å; A213-N217 PolarHBondContact O-N 3.19Å; A213-R218 PolarHBondContact N-O 2.9Å; A213-R218 PolarHBondContact O-N 2.87Å; A213-L220 HydrophobicContact CB-CD1 4.17Å; A213-L220 HydrophobicContact CB-CD2 4.01Å; A213-L220 HydrophobicContact CB-CG 4.1Å |
| 214 | H | 85.9 | Confident | 91.2 | Very high | 79 Ų | 79 | 53.8 Ų | 53.8 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -41.7 | -165.8 | -175 | 57.8 | 0 | 0 | 0 | 112.7 | V191 K194 R196 T212 | V191-H214 HydrophobicContact CG1-CB 4.46Å; K194-H214 WeakPolarHBondContact O-CB 3.44Å; K194-H214 PolarHBondContact O-N 3.48Å; R196-H214 HydrophobicContact CB-CB 4.5Å; T212-H214 PolarHBondContact O-N 2.75Å; T212-H214 VanDerWaalsContact O-N 3.08Å |
| 215 | C | 87 | Confident | 91 | Very high | 103 Ų | 103 | 52.5 Ų | 52.5 | 70% | 0.696 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -29 | -177.8 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | A213 | A213-C215 PolarHBondContact O-N 2.93Š|
| 216 | L | 90.3 | Very high | 90.9 | Very high | 134 Ų | 134 | 57.4 Ų | 57.4 | 70% | 0.702 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -10.4 | 178.7 | -62.2 | 177.2 | 0 | 0 | 0 | 112.3 | A213 R218 | A213-L216 HydrophobicContact CB-CB 4.13Å; A213-L216 HydrophobicContact CB-CD1 4.49Å; A213-L216 PolarHBondContact O-N 2.93Å; L216-R218 VanDerWaalsContact C-N 3.25Å; L216-R218 HydrophobicContact CB-CB 4.33Å; L216-R218 PolarHBondContact O-N 3.05Å |
| 217 | N | 89.1 | Confident | 90.6 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.1 | 51.4 | -171.6 | -159.2 | 39.3 | 0 | 0 | 0 | 112.9 | D171 H172 P174 R196 A213 | D171-N217 PolarHBondContact O-ND2 2.81Å; H172-N217 WeakPolarHBondContact CA-ND2 3.39Å; H172-N217 PolarHBondContact N-ND2 3.41Å; H172-N217 PolarHBondContact O-ND2 3.34Å; H172-N217 PolarHBondContact O-OD1 2.92Å; P174-N217 VanDerWaalsContact CD-ND2 3.28Å; P174-N217 WeakPolarHBondContact CD-ND2 3.35Å; P174-N217 VanDerWaalsContact CD-OD1 3.27Å; P174-N217 WeakPolarHBondContact CD-OD1 3.41Å; P174-N217 WeakPolarHBondContact CG-O 3.36Å; R196-N217 PolarHBondContact NH2-OD1 3.42Å; A213-N217 VanDerWaalsContact O-CA 3.29Å; A213-N217 WeakPolarHBondContact O-CA 3.44Å; A213-N217 PolarHBondContact O-N 3.19Å |
| 218 | R | 92.4 | Very high | 90.3 | Very high | 177 Ų | 177 | 57.1 Ų | 57.1 | 67% | 0.668 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.5 | -177.6 | 179.6 | -179.5 | 173.3 | -177.3 | 0.1 | 109.9 | T212 A213 L216 L220 | T212-R218 CarbonylContact C-O 3.59Å; T212-R218 WeakPolarHBondContact CA-O 3.25Å; A213-R218 PolarHBondContact N-O 2.9Å; A213-R218 PolarHBondContact O-N 2.87Å; L216-R218 VanDerWaalsContact C-N 3.25Å; L216-R218 HydrophobicContact CB-CB 4.33Å; L216-R218 PolarHBondContact O-N 3.05Å; R218-L220 PolarHBondContact O-N 2.86Å |
| 219 | V | 93.1 | Very high | 90.1 | Very high | 49 Ų | 49 | 64.3 Ų | 64.3 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 121.1 | 172.5 | -177 | 0 | 0 | 0 | 0 | 108.3 | P174 E175 F210 D221 | P174-V219 HydrophobicContact CB-CG2 4.11Å; P174-V219 HydrophobicContact CG-CG2 3.89Å; E175-V219 HydrophobicContact CB-CG2 4.15Å; F210-V219 HydrophobicContact CD1-CG1 4.03Å; V219-D221 WeakPolarHBondContact CG1-O 3.3Å |
| 220 | L | 92.3 | Very high | 89.9 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 55% | 0.55 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -43.7 | 175.8 | -60.8 | 175.4 | 0 | 0 | 0 | 109.6 | T195 R211 A213 R218 | T195-L220 HydrophobicContact CG2-CD1 4.48Å; R211-L220 HydrophobicContact CB-CB 4.48Å; R211-L220 WeakPolarHBondContact O-CA 3.36Å; R211-L220 VanDerWaalsContact O-CB 3.31Å; R211-L220 WeakPolarHBondContact O-CB 3.48Å; R211-L220 PolarHBondContact O-N 2.86Å; A213-L220 HydrophobicContact CB-CD1 4.17Å; A213-L220 HydrophobicContact CB-CD2 4.01Å; A213-L220 HydrophobicContact CB-CG 4.1Å; R218-L220 PolarHBondContact O-N 2.86Å |
| 221 | D | 90.3 | Very high | 89.8 | Confident | 49 Ų | 49 | 68 Ų | 68 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 163.5 | 174.8 | 68.1 | -3.9 | 0 | 0 | 0 | 113.2 | F210 R211 V219 | F210-D221 WeakPolarHBondContact CA-O 3.21Å; R211-D221 WeakPolarHBondContact CB-OD1 3.37Å; R211-D221 WeakPolarHBondContact CG-OD1 3.32Å; R211-D221 IonicContact CZ-OD2 2.73Å; R211-D221 PolarHBondContact N-O 3.39Å; R211-D221 PolarHBondContact N-OD1 3.34Å; R211-D221 VanDerWaalsContact N-OD1 3.07Å; R211-D221 VanDerWaalsContact NE-CG 3.28Å; R211-D221 IonicContact NE-OD1 3.29Å; R211-D221 PolarHBondContact NE-OD1 3.49Å; R211-D221 VanDerWaalsContact NE-OD1 3.13Å; R211-D221 IonicContact NE-OD2 3.1Å; R211-D221 PolarHBondContact NE-OD2 3.12Å; R211-D221 IonicContact NH2-OD2 2.67Å; R211-D221 PolarHBondContact NH2-OD2 2.98Å; R211-D221 PolarHBondContact O-N 2.88Å; V219-D221 WeakPolarHBondContact CG1-O 3.3Å |
| 222 | R | 91.4 | Very high | 89.7 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 122.8 | 172.9 | 173 | -177.3 | 170.5 | 166.2 | -2.8 | 107.5 | D178 V208 F210 E224 | D178-R222 IonicContact OD2-NH1 2.86Å; D178-R222 PolarHBondContact OD2-NH1 2.83Å; V208-R222 HydrophobicContact CG1-CG 4.03Å; F210-R222 HydrophobicContact CD1-CB 3.89Å; F210-R222 HydrophobicContact CD1-CG 4.07Å; F210-R222 HydrophobicContact CE1-CB 3.85Å; F210-R222 HydrophobicContact CE1-CG 3.63Å; F210-R222 HydrophobicContact CZ-CG 4.11Å; R222-E224 IonicContact CZ-OE2 3.5Å; R222-E224 IonicContact NE-OE2 2.84Å; R222-E224 IonicContact NH2-OE2 2.69Å; R222-E224 PolarHBondContact NH2-OE2 3.47Å |
| 223 | L | 89.4 | Confident | 89.4 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.7 | 169.2 | 177.4 | 94.5 | 0 | 0 | 0 | 108.3 | V208 V209 M225 V262 P263 Q265 | V208-L223 CarbonylContact C-O 3.6Å; V208-L223 VanDerWaalsContact CA-O 3.23Å; V208-L223 WeakPolarHBondContact CA-O 3.38Å; V208-L223 WeakPolarHBondContact CG1-O 3.38Å; V209-L223 HydrophobicContact CB-CB 4.38Å; V209-L223 HydrophobicContact CB-CD2 4.19Å; V209-L223 HydrophobicContact CG2-CD2 4.13Å; V209-L223 PolarHBondContact N-O 2.88Å; V209-L223 PolarHBondContact O-N 2.89Å; L223-M225 HydrophobicContact CD1-CG 4.27Å; L223-M225 HydrophobicContact CD1-SD 3.98Å; L223-M225 HydrophobicContact CD2-CG 4.17Å; L223-M225 HydrophobicContact CD2-SD 3.74Å; L223-M225 HydrophobicContact CG-CG 4.05Å; L223-M225 HydrophobicContact CG-SD 4.01Å; L223-V262 HydrophobicContact CD2-CG1 4Å; L223-P263 WeakPolarHBondContact CD1-O 3.26Å; L223-P263 HydrophobicContact CD2-CB 4.46Å; L223-P263 HydrophobicContact CD2-CG 3.94Å; L223-P263 WeakPolarHBondContact CD2-O 3.49Å; L223-P263 WeakPolarHBondContact CG-O 2.95Å; L223-Q265 HydrophobicContact CD1-CB 4.41Å; L223-Q265 HydrophobicContact CD1-CG 3.47Å; L223-Q265 VanDerWaalsContact CD1-CG 3.47Å |
| 224 | E | 90.9 | Very high | 89 | Confident | 69 Ų | 69 | 64.1 Ų | 64.1 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.1 | 173.6 | 177.7 | 174.7 | 139.1 | 0 | 0 | 109.5 | P181 I207 V208 R222 | P181-E224 HydrophobicContact CG-CG 4.09Å; P181-E224 WeakPolarHBondContact CG-OE1 3.44Å; I207-E224 WeakPolarHBondContact O-CA 3.35Å; V208-E224 HydrophobicContact CG2-CB 4.46Å; V208-E224 HydrophobicContact CG2-CG 4.13Å; R222-E224 IonicContact CZ-OE2 3.5Å; R222-E224 IonicContact NE-OE2 2.84Å; R222-E224 IonicContact NH2-OE2 2.69Å; R222-E224 PolarHBondContact NH2-OE2 3.47Å |
| 225 | M | 88.7 | Confident | 89.2 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 134.9 | -176.3 | -58.5 | 176.7 | 74.6 | 0 | 0 | 110.6 | H206 I207 L223 L227 P263 D264 P268 | H206-M225 CarbonylContact C-O 3.58Å; H206-M225 WeakPolarHBondContact CA-O 3.36Å; I207-M225 PolarHBondContact N-O 2.72Å; I207-M225 PolarHBondContact O-N 2.92Å; L223-M225 HydrophobicContact CD1-CG 4.27Å; L223-M225 HydrophobicContact CD1-SD 3.98Å; L223-M225 HydrophobicContact CD2-CG 4.17Å; L223-M225 HydrophobicContact CD2-SD 3.74Å; L223-M225 HydrophobicContact CG-CG 4.05Å; L223-M225 HydrophobicContact CG-SD 4.01Å; M225-L227 HydrophobicContact CB-CD2 4.08Å; M225-L227 HydrophobicContact CB-CG 4.41Å; M225-L227 HydrophobicContact CE-CD2 4.34Å; M225-L227 PolarHBondContact O-N 3.4Å; M225-P263 HydrophobicContact CE-CB 4.38Å; M225-P263 HydrophobicContact SD-CB 3.72Å; M225-P263 HydrophobicContact SD-CG 4.11Å; M225-D264 WeakPolarHBondContact CE-O 3.4Å; M225-P268 HydrophobicContact CE-CB 3.49Å; M225-P268 VanDerWaalsContact CE-CB 3.49Å; M225-P268 HydrophobicContact CE-CG 4.24Å |
| 226 | K | 90.5 | Very high | 89.2 | Confident | 103 Ų | 103 | 56.3 Ų | 56.3 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 109.1 | 167.7 | -159.4 | -178.9 | -174.2 | -165.5 | 0 | 109.5 | D204 H206 F228 E229 | D204-K226 WeakPolarHBondContact O-CE 3.49Å; H206-K226 WeakPolarHBondContact NE2-CB 3.35Å; K226-F228 WeakPolarHBondContact CE-O 3.35Å; K226-E229 IonicContact NZ-OE1 3.39Å; K226-E229 PolarHBondContact NZ-OE1 3.15Å; K226-E229 IonicContact NZ-OE2 2.67Å; K226-E229 PolarHBondContact NZ-OE2 3.49Å |
| 227 | L | 86.3 | Confident | 89.1 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | trans | -99.1 | -25.6 | -177.7 | -62.4 | -176.4 | 0 | 0 | 0 | 113 | G205 I207 M225 R257 Y259 | G205-L227 PolarHBondContact O-N 2.88Å; G205-L227 VanDerWaalsContact O-N 3.12Å; I207-L227 HydrophobicContact CB-CD1 4.22Å; I207-L227 HydrophobicContact CD1-CD1 3.39Å; I207-L227 HydrophobicContact CD1-CG 4.49Å; I207-L227 HydrophobicContact CG1-CD1 3.79Å; I207-L227 HydrophobicContact CG1-CG 4.43Å; M225-L227 HydrophobicContact CB-CD2 4.08Å; M225-L227 HydrophobicContact CB-CG 4.41Å; M225-L227 HydrophobicContact CE-CD2 4.34Å; M225-L227 PolarHBondContact O-N 3.4Å; L227-R257 PolarHBondContact O-NH1 2.93Å; L227-Y259 HydrophobicContact CD1-CE1 4.33Å; L227-Y259 HydrophobicContact CD1-CE2 3.83Å; L227-Y259 HydrophobicContact CD2-CE1 4.33Å | ||
| 228 | F | 86 | Confident | 89 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 5% | 0.053 | 24% | 0.237 | C | C | . | . | trans | -137.2 | 155.3 | -177.6 | -59.8 | -89 | 0 | 0 | 0 | 110.7 | G205 K226 V230 I232 V249 S251 R257 | G205-F228 WeakPolarHBondContact CA-O 3.44Å; G205-F228 PolarHBondContact O-N 2.78Å; K226-F228 WeakPolarHBondContact CE-O 3.35Å; F228-V230 HydrophobicContact CB-CG2 4.25Å; F228-V230 WeakPolarHBondContact CB-O 3.21Å; F228-I232 HydrophobicContact CD2-CD1 3.43Å; F228-I232 VanDerWaalsContact CD2-CD1 3.43Å; F228-I232 HydrophobicContact CE2-CD1 3.93Å; F228-I232 HydrophobicContact CG-CD1 4.4Å; F228-V249 HydrophobicContact CE2-CB 4.44Å; F228-V249 HydrophobicContact CE2-CG1 3.66Å; F228-V249 HydrophobicContact CZ-CG1 4.39Å; F228-S251 VanDerWaalsContact CD1-OG 3.3Å; F228-S251 WeakPolarHBondContact CD1-OG 3.08Å; F228-S251 VanDerWaalsContact CE1-OG 3.32Å; F228-S251 WeakPolarHBondContact CE1-OG 3.35Å; F228-R257 HydrophobicContact CZ-CG 4.01Å | ||
| 229 | E | 87.8 | Confident | 88.5 | Confident | 151 Ų | 151 | 41.7 Ų | 41.7 | 71% | 0.706 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -86.4 | 3.4 | 170.7 | -63.1 | -55.8 | 136.3 | 0 | 0 | 112.5 | K226 | K226-E229 IonicContact NZ-OE1 3.39Å; K226-E229 PolarHBondContact NZ-OE1 3.15Å; K226-E229 IonicContact NZ-OE2 2.67Å; K226-E229 PolarHBondContact NZ-OE2 3.49Å |
| 230 | V | 88.2 | Confident | 88 | Confident | 50 Ų | 50 | 40 Ų | 40 | 30% | 0.303 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -133.8 | 163 | -178.4 | -63.1 | 0 | 0 | 0 | 0 | 109.9 | G205 F228 S253 | G205-V230 WeakPolarHBondContact CA-O 3.43Å; G205-V230 PolarHBondContact N-O 2.85Å; F228-V230 HydrophobicContact CB-CG2 4.25Å; F228-V230 WeakPolarHBondContact CB-O 3.21Å; V230-S253 VanDerWaalsContact CG2-OG 3.28Å; V230-S253 WeakPolarHBondContact CG2-OG 3.44Å |
| 231 | A | 89.5 | Confident | 87.3 | Confident | 29 Ų | 29 | 37.3 Ų | 37.3 | 24% | 0.24 | 19% | 0.194 | C | C | . | . | trans | -49.2 | 136.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | I185 G203 S251 A252 | I185-A231 HydrophobicContact CD1-CB 3.71Å; G203-A231 VanDerWaalsContact O-CA 3.25Å; G203-A231 WeakPolarHBondContact O-CA 3.41Å; G203-A231 WeakPolarHBondContact O-CB 3.21Å; G203-A231 PolarHBondContact O-N 3.36Å; A231-S251 CarbonylContact O-C 3.59Å; A231-S251 WeakPolarHBondContact O-CA 3.24Å; A231-S251 WeakPolarHBondContact O-CB 3.31Å; A231-A252 HydrophobicContact CB-CB 4.4Å; A231-A252 PolarHBondContact O-N 2.83Å | ||
| 232 | I | 90.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 128.3 | 165.3 | -57.9 | -56 | 0 | 0 | 0 | 108.8 | I185 A186 C202 I207 F228 V249 T250 | I185-I232 WeakPolarHBondContact CD1-O 3.47Å; I185-I232 VanDerWaalsContact CG1-O 3.25Å; I185-I232 WeakPolarHBondContact CG1-O 3.42Å; A186-I232 HydrophobicContact CB-CG2 4.09Å; C202-I232 PolarHBondContact O-N 3.2Å; C202-I232 VanDerWaalsContact O-N 3.08Å; I207-I232 HydrophobicContact CG1-CD1 4.21Å; I207-I232 HydrophobicContact CG1-CG1 4.34Å; F228-I232 HydrophobicContact CD2-CD1 3.43Å; F228-I232 VanDerWaalsContact CD2-CD1 3.43Å; F228-I232 HydrophobicContact CE2-CD1 3.93Å; F228-I232 HydrophobicContact CG-CD1 4.4Å; I232-V249 HydrophobicContact CD1-CG1 3.81Å; I232-V249 HydrophobicContact CG2-CG1 4.2Å; I232-T250 CarbonylContact C-O 3.49Å; I232-T250 WeakPolarHBondContact CG2-O 3.45Å |
| 233 | S | 85.1 | Confident | 86.1 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -29.3 | 178.8 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | T250 S251 V283 | S233-T250 PolarHBondContact N-O 2.78Å; S233-T250 PolarHBondContact OG-O 2.81Å; S233-T250 PolarHBondContact OG-OG1 3.27Å; S233-S251 VanDerWaalsContact OG-C 3.32Å; S233-S251 PolarHBondContact OG-N 2.88Å; S233-S251 PolarHBondContact OG-O 3.49Å; S233-V283 WeakPolarHBondContact CB-O 3.23Å; S233-V283 PolarHBondContact OG-O 3.34Å |
| 234 | S | 85.7 | Confident | 85.7 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 149.8 | 176.3 | -156.6 | 0 | 0 | 0 | 0 | 110.9 | T250 | S234-T250 WeakPolarHBondContact CA-OG1 3.1Å; S234-T250 WeakPolarHBondContact CB-OG1 3.46Å; S234-T250 PolarHBondContact N-O 2.62Å; S234-T250 PolarHBondContact N-OG1 2.76Å; S234-T250 PolarHBondContact O-N 2.88Å |
| 235 | L | 88.8 | Confident | 85.4 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 128 | 175.7 | -170.3 | 152.6 | 0 | 0 | 0 | 107.5 | A186 D188 A199 I207 L237 T247 L248 | A186-L235 HydrophobicContact CB-CB 3.88Å; D188-L235 HydrophobicContact CB-CD2 3.86Å; A199-L235 HydrophobicContact CB-CD1 4.07Å; A199-L235 HydrophobicContact CB-CD2 3.45Å; A199-L235 VanDerWaalsContact CB-CD2 3.45Å; A199-L235 HydrophobicContact CB-CG 4.4Å; I207-L235 HydrophobicContact CD1-CD1 3.94Å; I207-L235 HydrophobicContact CG1-CD1 4.37Å; I207-L235 HydrophobicContact CG2-CD1 4.1Å; L235-L237 HydrophobicContact CD2-CG 4.39Å; L235-T247 HydrophobicContact CD1-CG2 4.41Å; L235-T247 HydrophobicContact CD2-CG2 4.21Å; L235-T247 HydrophobicContact CG-CG2 4.09Å; L235-L248 WeakPolarHBondContact CA-O 3.42Å |
| 236 | I | 87.7 | Confident | 85.2 | Confident | 16 Ų | 16 | 40.4 Ų | 40.4 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 131.4 | 178.4 | -54.5 | 178.4 | 0 | 0 | 0 | 109.2 | D188 L238 L248 A286 H288 | D188-I236 WeakPolarHBondContact OD2-CA 3.44Å; I236-L238 HydrophobicContact CG2-CD2 3.76Å; I236-L238 HydrophobicContact CG2-CG 4.26Å; I236-L248 HydrophobicContact CB-CB 4.31Å; I236-L248 HydrophobicContact CD1-CD2 4.27Å; I236-L248 PolarHBondContact N-O 3.29Å; I236-L248 PolarHBondContact O-N 3.42Å; I236-A286 HydrophobicContact CD1-CB 3.68Å; I236-H288 HydrophobicContact CD1-CB 4.22Å; I236-H288 HydrophobicContact CG2-CB 4.02Å |
| 237 | L | 87.9 | Confident | 85.1 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.1 | 172.6 | -71.2 | 178.8 | 0 | 0 | 0 | 110 | D188 A190 I197 A199 L235 M245 T247 | D188-L237 HydrophobicContact CB-CB 4.44Å; D188-L237 HydrophobicContact CB-CD1 4.32Å; D188-L237 HydrophobicContact CB-CG 4.1Å; D188-L237 PolarHBondContact OD2-N 2.89Å; A190-L237 HydrophobicContact CB-CD1 4.4Å; I197-L237 HydrophobicContact CB-CD1 4.43Å; I197-L237 HydrophobicContact CG2-CD1 4.11Å; A199-L237 HydrophobicContact CB-CD1 4.09Å; A199-L237 HydrophobicContact CB-CD2 3.86Å; A199-L237 HydrophobicContact CB-CG 4.12Å; L235-L237 HydrophobicContact CD2-CG 4.39Å; L237-M245 HydrophobicContact CB-CE 3.55Å; L237-M245 HydrophobicContact CD1-CE 4.46Å; L237-M245 HydrophobicContact CG-CE 4.42Å; L237-T247 HydrophobicContact CD2-CG2 4.24Å |
| 238 | L | 86.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 106.4 | -175.3 | -60.2 | 173.4 | 0 | 0 | 0 | 110 | I236 H246 L248 L258 H288 I302 | I236-L238 HydrophobicContact CG2-CD2 3.76Å; I236-L238 HydrophobicContact CG2-CG 4.26Å; L238-H246 HydrophobicContact CB-CB 4.32Å; L238-H246 PolarHBondContact N-O 2.88Å; L238-H246 PolarHBondContact O-N 2.8Å; L238-L248 HydrophobicContact CD1-CB 4.15Å; L238-L258 HydrophobicContact CD1-CD1 3.87Å; L238-H288 HydrophobicContact CD2-CB 4.41Å; L238-I302 HydrophobicContact CD1-CD1 3.67Å |
| 239 | P | 82.5 | Confident | 85.1 | Confident | 31 Ų | 31 | 34.1 Ų | 34.1 | 20% | 0.201 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 133.1 | 173.6 | 27.2 | -31.8 | 0 | 0 | 0 | 110.5 | E244 M245 H300 | P239-E244 CarbonylContact C-O 3.57Å; P239-E244 WeakPolarHBondContact CA-O 3.31Å; P239-M245 VanDerWaalsContact CA-SD 3.53Å; P239-M245 HydrophobicContact CB-CE 4.42Å; P239-M245 HydrophobicContact CB-SD 3.56Å; P239-M245 VanDerWaalsContact CB-SD 3.56Å; P239-M245 HydrophobicContact CG-SD 4.44Å; P239-H300 PolarHBondContact O-CE1 3.25Å; P239-H300 PolarHBondContact O-NE2 2.81Å; P239-H300 VanDerWaalsContact O-NE2 3.09Å |
| 240 | D | 81.9 | Confident | 85 | Confident | 14 Ų | 14 | 27 Ų | 27 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | trans | -89 | -177.2 | 170.3 | 76 | 15.4 | 0 | 0 | 0 | 113.1 | F242 G243 E244 H246 C318 A319 | D240-F242 VanDerWaalsContact C-N 3.26Å; D240-F242 PolarHBondContact O-N 2.87Å; D240-F242 WeakPolarHBondContact OD1-CA 3.21Å; D240-F242 PolarHBondContact OD1-N 2.86Å; D240-G243 PolarHBondContact O-N 3.17Å; D240-G243 PolarHBondContact OD1-N 3.43Å; D240-E244 PolarHBondContact N-O 2.85Å; D240-E244 PolarHBondContact OD1-N 2.98Å; D240-E244 WeakPolarHBondContact OD2-CB 3.44Å; D240-H246 IonicContact OD2-CD2 3.76Å; D240-H246 IonicContact OD2-NE2 3.13Å; D240-H246 PolarHBondContact OD2-NE2 3.49Å; D240-C318 HydrophobicContact CB-CB 3.97Å; D240-A319 HydrophobicContact CB-CB 4.25Å | ||
| 241 | S | 77.9 | Confident | 84.8 | Confident | 48 Ų | 48 | 24.7 Ų | 24.7 | 34% | 0.336 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.8 | -179.8 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 242 | F | 78.1 | Confident | 84.2 | Confident | 164 Ų | 164 | 25.5 Ų | 25.5 | 72% | 0.719 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -4.4 | -178.5 | -60.8 | -66.9 | 0 | 0 | 0 | 112.7 | D240 A319 | D240-F242 VanDerWaalsContact C-N 3.26Å; D240-F242 PolarHBondContact O-N 2.87Å; D240-F242 WeakPolarHBondContact OD1-CA 3.21Å; D240-F242 PolarHBondContact OD1-N 2.86Å; F242-A319 HydrophobicContact CD2-CB 3.91Å; F242-A319 HydrophobicContact CE2-CB 3.77Å |
| 243 | G | 77.6 | Confident | 83.7 | Confident | 21 Ų | 21 | 28 Ų | 28 | 22% | 0.216 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 86.9 | 20.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I192 D240 | I192-G243 VanDerWaalsContact CD1-C 3.48Å; I192-G243 WeakPolarHBondContact CD1-O 3.13Å; D240-G243 PolarHBondContact O-N 3.17Å; D240-G243 PolarHBondContact OD1-N 3.43Å |
| 244 | E | 81.3 | Confident | 83 | Confident | 109 Ų | 109 | 27.4 Ų | 27.4 | 51% | 0.509 | 16% | 0.161 | S | C | . | . | trans | -89.8 | 150.8 | 168.6 | -64.6 | -63.8 | 138.6 | 0 | 0 | 110.3 | P239 D240 | P239-E244 CarbonylContact C-O 3.57Å; P239-E244 WeakPolarHBondContact CA-O 3.31Å; D240-E244 PolarHBondContact N-O 2.85Å; D240-E244 PolarHBondContact OD1-N 2.98Å; D240-E244 WeakPolarHBondContact OD2-CB 3.44Å | ||
| 245 | M | 85.1 | Confident | 82.5 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117 | -177.9 | -67.4 | -63 | -61.2 | 0 | 0 | 110.6 | A190 I192 I197 L237 P239 S261 V262 | A190-M245 HydrophobicContact CB-CE 3.59Å; I192-M245 HydrophobicContact CD1-CG 4.06Å; I192-M245 HydrophobicContact CD1-SD 3.77Å; I192-M245 HydrophobicContact CG2-CG 3.97Å; I197-M245 HydrophobicContact CD1-CB 3.91Å; I197-M245 HydrophobicContact CD1-CG 3.73Å; L237-M245 HydrophobicContact CB-CE 3.55Å; L237-M245 HydrophobicContact CD1-CE 4.46Å; L237-M245 HydrophobicContact CG-CE 4.42Å; P239-M245 VanDerWaalsContact CA-SD 3.53Å; P239-M245 HydrophobicContact CB-CE 4.42Å; P239-M245 HydrophobicContact CB-SD 3.56Å; P239-M245 VanDerWaalsContact CB-SD 3.56Å; P239-M245 HydrophobicContact CG-SD 4.44Å; M245-S261 CarbonylContact O-C 3.54Å; M245-S261 WeakPolarHBondContact O-CA 3.5Å; M245-V262 PolarHBondContact O-N 3.14Å |
| 246 | H | 85.6 | Confident | 82 | Confident | 15 Ų | 15 | 27.5 Ų | 27.5 | 7% | 0.069 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 148.9 | 174.4 | -59.6 | -106.9 | 0 | 0 | 0 | 109.4 | L238 D240 L258 Y259 C318 | L238-H246 HydrophobicContact CB-CB 4.32Å; L238-H246 PolarHBondContact N-O 2.88Å; L238-H246 PolarHBondContact O-N 2.8Å; D240-H246 IonicContact OD2-CD2 3.76Å; D240-H246 IonicContact OD2-NE2 3.13Å; D240-H246 PolarHBondContact OD2-NE2 3.49Å; H246-L258 HydrophobicContact CB-CD1 4.21Å; H246-Y259 WeakPolarHBondContact CA-O 3.44Å; H246-C318 PolarHBondContact CE1-O 2.87Å |
| 247 | T | 87.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 114.5 | -179.5 | -50.9 | 0 | 0 | 0 | 0 | 109.9 | L235 L237 V249 Y259 | L235-T247 HydrophobicContact CD1-CG2 4.41Å; L235-T247 HydrophobicContact CD2-CG2 4.21Å; L235-T247 HydrophobicContact CG-CG2 4.09Å; L237-T247 HydrophobicContact CD2-CG2 4.24Å; T247-V249 HydrophobicContact CG2-CG2 3.79Å; T247-Y259 PolarHBondContact N-O 3.33Å; T247-Y259 VanDerWaalsContact N-O 3.08Å; T247-Y259 PolarHBondContact O-N 3.12Å |
| 248 | L | 86.3 | Confident | 81.4 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.5 | 168.7 | -173.5 | 85 | 0 | 0 | 0 | 108.6 | L235 I236 L238 I256 L258 L274 I302 | L235-L248 WeakPolarHBondContact CA-O 3.42Å; I236-L248 HydrophobicContact CB-CB 4.31Å; I236-L248 HydrophobicContact CD1-CD2 4.27Å; I236-L248 PolarHBondContact N-O 3.29Å; I236-L248 PolarHBondContact O-N 3.42Å; L238-L248 HydrophobicContact CD1-CB 4.15Å; L248-I256 HydrophobicContact CD1-CG2 3.67Å; L248-I256 HydrophobicContact CG-CG2 4.21Å; L248-L258 HydrophobicContact CB-CD1 3.91Å; L248-L258 HydrophobicContact CD1-CB 4.27Å; L248-L258 HydrophobicContact CD1-CD1 3.97Å; L248-L274 HydrophobicContact CD1-CD1 4.18Å; L248-I302 HydrophobicContact CD1-CD1 4.19Å; L248-I302 HydrophobicContact CD2-CD1 4.03Å; L248-I302 HydrophobicContact CD2-CG2 3.66Å |
| 249 | V | 87.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.8 | -179.9 | -172 | 0 | 0 | 0 | 0 | 109.5 | I207 F228 I232 T247 R257 Y259 | I207-V249 HydrophobicContact CD1-CB 4.02Å; I207-V249 HydrophobicContact CD1-CG1 3.57Å; I207-V249 HydrophobicContact CD1-CG2 3.24Å; I207-V249 HydrophobicContact CG1-CG1 4.49Å; F228-V249 HydrophobicContact CE2-CB 4.44Å; F228-V249 HydrophobicContact CE2-CG1 3.66Å; F228-V249 HydrophobicContact CZ-CG1 4.39Å; I232-V249 HydrophobicContact CD1-CG1 3.81Å; I232-V249 HydrophobicContact CG2-CG1 4.2Å; T247-V249 HydrophobicContact CG2-CG2 3.79Å; V249-R257 PolarHBondContact N-O 2.92Å; V249-R257 PolarHBondContact O-N 2.87Å; V249-Y259 HydrophobicContact CB-CE2 4.16Å; V249-Y259 HydrophobicContact CG2-CD2 3.83Å; V249-Y259 HydrophobicContact CG2-CE2 3.86Å |
| 250 | T | 84.5 | Confident | 80.4 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.9 | 170 | 70.6 | 0 | 0 | 0 | 0 | 109.7 | I232 S233 S234 I256 V283 | I232-T250 CarbonylContact C-O 3.49Å; I232-T250 WeakPolarHBondContact CG2-O 3.45Å; S233-T250 PolarHBondContact N-O 2.78Å; S233-T250 PolarHBondContact OG-O 2.81Å; S233-T250 PolarHBondContact OG-OG1 3.27Å; S234-T250 WeakPolarHBondContact CA-OG1 3.1Å; S234-T250 WeakPolarHBondContact CB-OG1 3.46Å; S234-T250 PolarHBondContact N-O 2.62Å; S234-T250 PolarHBondContact N-OG1 2.76Å; S234-T250 PolarHBondContact O-N 2.88Å; T250-I256 HydrophobicContact CG2-CB 4.34Å; T250-I256 HydrophobicContact CG2-CG1 4.01Å; T250-I256 HydrophobicContact CG2-CG2 3.76Å; T250-V283 HydrophobicContact CG2-CB 4.19Å; T250-V283 HydrophobicContact CG2-CG1 3.92Å; T250-V283 HydrophobicContact CG2-CG2 4.12Å; T250-V283 WeakPolarHBondContact OG1-CG1 3.45Å |
| 251 | S | 84.6 | Confident | 79.6 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 166.1 | 176.2 | 59.9 | 0 | 0 | 0 | 0 | 110.5 | F228 A231 S233 S253 | F228-S251 VanDerWaalsContact CD1-OG 3.3Å; F228-S251 WeakPolarHBondContact CD1-OG 3.08Å; F228-S251 VanDerWaalsContact CE1-OG 3.32Å; F228-S251 WeakPolarHBondContact CE1-OG 3.35Å; A231-S251 CarbonylContact O-C 3.59Å; A231-S251 WeakPolarHBondContact O-CA 3.24Å; A231-S251 WeakPolarHBondContact O-CB 3.31Å; S233-S251 VanDerWaalsContact OG-C 3.32Å; S233-S251 PolarHBondContact OG-N 2.88Å; S233-S251 PolarHBondContact OG-O 3.49Å; S251-S253 PolarHBondContact O-N 3.38Å; S251-S253 VanDerWaalsContact O-N 3.1Å; S251-S253 PolarHBondContact OG-O 3.45Å |
| 252 | A | 77.5 | Confident | 78.8 | Confident | 47 Ų | 47 | 31.4 Ų | 31.4 | 39% | 0.388 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -62 | -13.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A231 A282 | A231-A252 HydrophobicContact CB-CB 4.4Å; A231-A252 PolarHBondContact O-N 2.83Å; A252-A282 VanDerWaalsContact O-CA 3.31Å; A252-A282 WeakPolarHBondContact O-CA 3.38Å; A252-A282 WeakPolarHBondContact O-CB 3.27Å |
| 253 | S | 77.8 | Confident | 77.7 | Confident | 53 Ų | 53 | 23.9 Ų | 23.9 | 37% | 0.371 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -155.2 | 136.8 | 170.7 | 71 | 0 | 0 | 0 | 0 | 110.9 | V230 S251 | V230-S253 VanDerWaalsContact CG2-OG 3.28Å; V230-S253 WeakPolarHBondContact CG2-OG 3.44Å; S251-S253 PolarHBondContact O-N 3.38Å; S251-S253 VanDerWaalsContact O-N 3.1Å; S251-S253 PolarHBondContact OG-O 3.45Å |
| 254 | G | 72.5 | Confident | 76.8 | Confident | 18 Ų | 18 | 26.5 Ų | 26.5 | 19% | 0.186 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 114.8 | -176.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P279 | G254-P279 WeakPolarHBondContact CA-O 3.39Å; G254-P279 PolarHBondContact N-O 3.07Å |
| 255 | A | 74 | Confident | 75.6 | Confident | 20 Ų | 20 | 28 Ų | 28 | 17% | 0.165 | 17% | 0.169 | C | C | . | . | trans | -71.7 | 147.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R273 S277 | A255-R273 HydrophobicContact CB-CG 4.32Å; A255-S277 WeakPolarHBondContact CA-OG 3.43Å; A255-S277 WeakPolarHBondContact CB-OG 3.26Å | ||
| 256 | I | 79.1 | Confident | 74.2 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | trans | -69.4 | 132.2 | 169.5 | -54.8 | 165.7 | 0 | 0 | 0 | 108.1 | L248 T250 L274 S277 V283 V304 F314 | L248-I256 HydrophobicContact CD1-CG2 3.67Å; L248-I256 HydrophobicContact CG-CG2 4.21Å; T250-I256 HydrophobicContact CG2-CB 4.34Å; T250-I256 HydrophobicContact CG2-CG1 4.01Å; T250-I256 HydrophobicContact CG2-CG2 3.76Å; I256-L274 HydrophobicContact CB-CB 4.13Å; I256-L274 HydrophobicContact CB-CD1 3.72Å; I256-L274 HydrophobicContact CB-CG 4.06Å; I256-L274 HydrophobicContact CD1-CD1 4.05Å; I256-L274 HydrophobicContact CG2-CD1 3.3Å; I256-L274 HydrophobicContact CG2-CG 3.92Å; I256-L274 PolarHBondContact O-N 3.49Å; I256-L274 VanDerWaalsContact O-N 3.08Å; I256-S277 PolarHBondContact N-OG 2.87Å; I256-V283 HydrophobicContact CD1-CG2 4.11Å; I256-V283 HydrophobicContact CG1-CG2 3.81Å; I256-V304 HydrophobicContact CD1-CB 4.27Å; I256-V304 HydrophobicContact CD1-CG1 3.83Å; I256-V304 HydrophobicContact CD1-CG2 4.06Å; I256-F314 HydrophobicContact CD1-CE2 3.83Å; I256-F314 HydrophobicContact CD1-CZ 4.22Å | ||
| 257 | R | 82.1 | Confident | 72.8 | Confident | 49 Ų | 49 | 33.4 Ų | 33.4 | 19% | 0.185 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.1 | -177.1 | -58.4 | -174.4 | -175.7 | 163.1 | -0.1 | 110 | L227 F228 V249 Y259 F271 V272 | L227-R257 PolarHBondContact O-NH1 2.93Å; F228-R257 HydrophobicContact CZ-CG 4.01Å; V249-R257 PolarHBondContact N-O 2.92Å; V249-R257 PolarHBondContact O-N 2.87Å; R257-Y259 HydrophobicContact CB-CD2 4.37Å; R257-Y259 HydrophobicContact CB-CE2 3.59Å; R257-Y259 WeakPolarHBondContact CD-OH 3.21Å; R257-Y259 PolarHBondContact NH1-OH 2.72Å; R257-F271 HydrophobicContact CB-CB 4.38Å; R257-F271 HydrophobicContact CB-CD2 3.71Å; R257-F271 HydrophobicContact CB-CE2 4.27Å; R257-F271 HydrophobicContact CB-CG 4.24Å; R257-F271 HydrophobicContact CG-CD2 3.51Å; R257-F271 HydrophobicContact CG-CE2 3.54Å; R257-F271 HydrophobicContact CG-CG 4.34Å; R257-F271 HydrophobicContact CG-CZ 4.41Å; R257-V272 WeakPolarHBondContact CA-O 3.49Å |
| 258 | L | 80.9 | Confident | 71.3 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125 | 167.3 | -175.5 | 82.7 | 0 | 0 | 0 | 109.9 | L238 H246 L248 F271 V272 F323 | L238-L258 HydrophobicContact CD1-CD1 3.87Å; H246-L258 HydrophobicContact CB-CD1 4.21Å; L248-L258 HydrophobicContact CB-CD1 3.91Å; L248-L258 HydrophobicContact CD1-CB 4.27Å; L248-L258 HydrophobicContact CD1-CD1 3.97Å; L258-F271 CarbonylContact O-C 3.6Å; L258-F271 WeakPolarHBondContact O-CA 3.21Å; L258-F271 VanDerWaalsContact O-CB 3.26Å; L258-F271 WeakPolarHBondContact O-CB 3.4Å; L258-V272 PolarHBondContact N-O 2.84Å; L258-V272 PolarHBondContact O-N 3.45Å; L258-F323 HydrophobicContact CD2-CD1 3.78Å; L258-F323 HydrophobicContact CD2-CD2 4.16Å; L258-F323 HydrophobicContact CD2-CE1 3.04Å; L258-F323 HydrophobicContact CD2-CE2 3.41Å; L258-F323 VanDerWaalsContact CD2-CE2 3.41Å; L258-F323 HydrophobicContact CD2-CG 4.32Å; L258-F323 HydrophobicContact CD2-CZ 2.84Å; L258-F323 HydrophobicContact CG-CE1 4.43Å; L258-F323 HydrophobicContact CG-CZ 4.32Å |
| 259 | Y | 79.3 | Confident | 69.7 | Low | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 125.7 | 176.9 | -64.1 | -92.1 | 0 | 0 | 0 | 109.4 | L227 H246 T247 V249 R257 S261 P263 F271 | L227-Y259 HydrophobicContact CD1-CE1 4.33Å; L227-Y259 HydrophobicContact CD1-CE2 3.83Å; L227-Y259 HydrophobicContact CD2-CE1 4.33Å; H246-Y259 WeakPolarHBondContact CA-O 3.44Å; T247-Y259 PolarHBondContact N-O 3.33Å; T247-Y259 VanDerWaalsContact N-O 3.08Å; T247-Y259 PolarHBondContact O-N 3.12Å; V249-Y259 HydrophobicContact CB-CE2 4.16Å; V249-Y259 HydrophobicContact CG2-CD2 3.83Å; V249-Y259 HydrophobicContact CG2-CE2 3.86Å; R257-Y259 HydrophobicContact CB-CD2 4.37Å; R257-Y259 HydrophobicContact CB-CE2 3.59Å; R257-Y259 WeakPolarHBondContact CD-OH 3.21Å; R257-Y259 PolarHBondContact NH1-OH 2.72Å; Y259-S261 PolarHBondContact O-N 2.77Å; Y259-P263 HydrophobicContact CD1-CB 4.05Å; Y259-P263 HydrophobicContact CD1-CG 4.48Å; Y259-P263 HydrophobicContact CG-CB 4.42Å; Y259-P263 HydrophobicContact CG-CG 4.45Å; Y259-F271 HydrophobicContact CD1-CB 3.76Å; Y259-F271 HydrophobicContact CD2-CB 4.47Å; Y259-F271 HydrophobicContact CE1-CB 3.67Å; Y259-F271 AromaticContact CE1-CD1 3.93Å; Y259-F271 HydrophobicContact CE1-CD1 3.93Å; Y259-F271 HydrophobicContact CE1-CG 4.06Å; Y259-F271 HydrophobicContact CE2-CB 4.38Å; Y259-F271 HydrophobicContact CG-CB 4.17Å |
| 260 | S | 68.1 | Low | 68.7 | Low | 60 Ų | 60 | 50.8 Ų | 50.8 | 42% | 0.42 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -74.8 | 121.7 | 171.6 | 57 | 0 | 0 | 0 | 0 | 108.3 | ||
| 261 | S | 65.6 | Low | 68.2 | Low | 55 Ų | 55 | 53.1 Ų | 53.1 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 61.2 | 163 | -168.8 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | M245 Y259 P263 | M245-S261 CarbonylContact O-C 3.54Å; M245-S261 WeakPolarHBondContact O-CA 3.5Å; Y259-S261 PolarHBondContact O-N 2.77Å; S261-P263 WeakPolarHBondContact O-CD 3.49Å; S261-P263 VanDerWaalsContact O-N 3.08Å |
| 262 | V | 60.5 | Low | 67.7 | Low | 28 Ų | 28 | 56 Ų | 56 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -52.6 | 119 | 169.8 | 171.9 | 0 | 0 | 0 | 0 | 107 | I197 V209 L223 M245 D264 | I197-V262 HydrophobicContact CD1-CG2 4.12Å; I197-V262 HydrophobicContact CG2-CG2 4.03Å; V209-V262 HydrophobicContact CB-CG1 3.65Å; V209-V262 HydrophobicContact CG1-CB 4.34Å; V209-V262 HydrophobicContact CG1-CG1 3.45Å; V209-V262 VanDerWaalsContact CG1-CG1 3.45Å; V209-V262 HydrophobicContact CG1-CG2 3.91Å; V209-V262 HydrophobicContact CG2-CG1 4Å; L223-V262 HydrophobicContact CD2-CG1 4Å; M245-V262 PolarHBondContact O-N 3.14Å; V262-D264 PolarHBondContact O-N 3.34Å |
| 263 | P | 55.3 | Low | 67.6 | Low | 7 Ų | 7 | 61.5 Ų | 61.5 | 5% | 0.045 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 130.1 | -169.6 | 16.5 | -26.9 | 0 | 0 | 0 | 109 | L223 M225 Y259 S261 | L223-P263 WeakPolarHBondContact CD1-O 3.26Å; L223-P263 HydrophobicContact CD2-CB 4.46Å; L223-P263 HydrophobicContact CD2-CG 3.94Å; L223-P263 WeakPolarHBondContact CD2-O 3.49Å; L223-P263 WeakPolarHBondContact CG-O 2.95Å; M225-P263 HydrophobicContact CE-CB 4.38Å; M225-P263 HydrophobicContact SD-CB 3.72Å; M225-P263 HydrophobicContact SD-CG 4.11Å; Y259-P263 HydrophobicContact CD1-CB 4.05Å; Y259-P263 HydrophobicContact CD1-CG 4.48Å; Y259-P263 HydrophobicContact CG-CB 4.42Å; Y259-P263 HydrophobicContact CG-CG 4.45Å; S261-P263 WeakPolarHBondContact O-CD 3.49Å; S261-P263 VanDerWaalsContact O-N 3.08Å |
| 264 | D | 58.1 | Low | 67.1 | Low | 75 Ų | 75 | 59.1 Ų | 59.1 | 40% | 0.401 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 153.5 | 176.8 | 109.2 | -2.2 | 0 | 0 | 0 | 109.3 | M225 V262 S266 S267 | M225-D264 WeakPolarHBondContact CE-O 3.4Å; V262-D264 PolarHBondContact O-N 3.34Å; D264-S266 PolarHBondContact O-N 2.79Å; D264-S266 VanDerWaalsContact OD1-C 3.32Å; D264-S266 WeakPolarHBondContact OD1-CA 3.3Å; D264-S266 VanDerWaalsContact OD1-CB 3.25Å; D264-S266 WeakPolarHBondContact OD1-CB 3.42Å; D264-S266 PolarHBondContact OD1-N 2.95Å; D264-S266 PolarHBondContact OD1-OG 2.79Å; D264-S266 PolarHBondContact OD2-OG 3.35Å; D264-S266 VanDerWaalsContact OD2-OG 3.05Å; D264-S267 PolarHBondContact O-N 3.1Å; D264-S267 PolarHBondContact OD1-N 2.81Å |
| 265 | Q | 56.7 | Low | 66.6 | Low | 140 Ų | 140 | 66.1 Ų | 66.1 | 65% | 0.654 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.2 | -177.9 | -62.2 | -169.3 | -8.4 | 0 | 0 | 113.2 | L223 | L223-Q265 HydrophobicContact CD1-CB 4.41Å; L223-Q265 HydrophobicContact CD1-CG 3.47Å; L223-Q265 VanDerWaalsContact CD1-CG 3.47Å |
| 266 | S | 55.7 | Low | 65.9 | Low | 98 Ų | 98 | 68 Ų | 68 | 69% | 0.685 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -17.2 | -177.5 | 79.5 | 0 | 0 | 0 | 0 | 114 | D264 | D264-S266 PolarHBondContact O-N 2.79Å; D264-S266 VanDerWaalsContact OD1-C 3.32Å; D264-S266 WeakPolarHBondContact OD1-CA 3.3Å; D264-S266 VanDerWaalsContact OD1-CB 3.25Å; D264-S266 WeakPolarHBondContact OD1-CB 3.42Å; D264-S266 PolarHBondContact OD1-N 2.95Å; D264-S266 PolarHBondContact OD1-OG 2.79Å; D264-S266 PolarHBondContact OD2-OG 3.35Å; D264-S266 VanDerWaalsContact OD2-OG 3.05Å |
| 267 | S | 56.7 | Low | 64.7 | Low | 38 Ų | 38 | 68.8 Ų | 68.8 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | trans | -138.4 | 61.9 | 178.8 | 89 | 0 | 0 | 0 | 0 | 115.2 | D264 E269 K270 | D264-S267 PolarHBondContact O-N 3.1Å; D264-S267 PolarHBondContact OD1-N 2.81Å; S267-E269 PolarHBondContact O-N 2.93Å; S267-K270 PolarHBondContact O-N 3.27Å | ||
| 268 | P | 54.3 | Low | 63.4 | Low | 55 Ų | 55 | 75.5 Ų | 75.5 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -21.3 | 174.6 | 17.8 | -29 | 0 | 0 | 0 | 114.6 | M225 | M225-P268 HydrophobicContact CE-CB 3.49Å; M225-P268 VanDerWaalsContact CE-CB 3.49Å; M225-P268 HydrophobicContact CE-CG 4.24Å |
| 269 | E | 53.5 | Low | 62.2 | Low | 172 Ų | 172 | 80.2 Ų | 80.2 | 80% | 0.804 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9 | -170.7 | -60.3 | -164.8 | 161.4 | 0 | 0 | 114.7 | S267 F271 | S267-E269 PolarHBondContact O-N 2.93Å; E269-F271 VanDerWaalsContact C-N 3.26Å; E269-F271 PolarHBondContact O-N 3.36Å |
| 270 | K | 66.3 | Low | 60.9 | Low | 140 Ų | 140 | 86.9 Ų | 86.9 | 61% | 0.609 | 45% | 0.454 | S | S | * | . | trans | -81.4 | 73 | 178.8 | -69.6 | -174.5 | -177.1 | 172.1 | 0 | 111.2 | S267 | S267-K270 PolarHBondContact O-N 3.27Š| ||
| 271 | F | 73.3 | Confident | 60.6 | Low | 50 Ų | 50 | 84.7 Ų | 84.7 | 22% | 0.219 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149 | 169.4 | 69 | -87.2 | 0 | 0 | 0 | 112.6 | R257 L258 Y259 E269 R273 | R257-F271 HydrophobicContact CB-CB 4.38Å; R257-F271 HydrophobicContact CB-CD2 3.71Å; R257-F271 HydrophobicContact CB-CE2 4.27Å; R257-F271 HydrophobicContact CB-CG 4.24Å; R257-F271 HydrophobicContact CG-CD2 3.51Å; R257-F271 HydrophobicContact CG-CE2 3.54Å; R257-F271 HydrophobicContact CG-CG 4.34Å; R257-F271 HydrophobicContact CG-CZ 4.41Å; L258-F271 CarbonylContact O-C 3.6Å; L258-F271 WeakPolarHBondContact O-CA 3.21Å; L258-F271 VanDerWaalsContact O-CB 3.26Å; L258-F271 WeakPolarHBondContact O-CB 3.4Å; Y259-F271 HydrophobicContact CD1-CB 3.76Å; Y259-F271 HydrophobicContact CD2-CB 4.47Å; Y259-F271 HydrophobicContact CE1-CB 3.67Å; Y259-F271 AromaticContact CE1-CD1 3.93Å; Y259-F271 HydrophobicContact CE1-CD1 3.93Å; Y259-F271 HydrophobicContact CE1-CG 4.06Å; Y259-F271 HydrophobicContact CE2-CB 4.38Å; Y259-F271 HydrophobicContact CG-CB 4.17Å; E269-F271 VanDerWaalsContact C-N 3.26Å; E269-F271 PolarHBondContact O-N 3.36Å; F271-R273 HydrophobicContact CD2-CG 3.97Å; F271-R273 HydrophobicContact CE2-CG 3.42Å; F271-R273 VanDerWaalsContact CE2-CG 3.42Å; F271-R273 HydrophobicContact CZ-CG 4.44Å |
| 272 | V | 74.7 | Confident | 61.1 | Low | 61 Ų | 61 | 83 Ų | 83 | 37% | 0.37 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.3 | 168.2 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | R257 L258 F323 | R257-V272 WeakPolarHBondContact CA-O 3.49Å; L258-V272 PolarHBondContact N-O 2.84Å; L258-V272 PolarHBondContact O-N 3.45Å; V272-F323 HydrophobicContact CB-CD2 4.07Å; V272-F323 HydrophobicContact CB-CE2 4.34Å; V272-F323 HydrophobicContact CG1-CD2 3.91Å; V272-F323 HydrophobicContact CG2-CD2 4.07Å; V272-F323 HydrophobicContact CG2-CE2 3.97Å |
| 273 | R | 75.1 | Confident | 62 | Low | 163 Ų | 163 | 81.8 Ų | 81.8 | 62% | 0.615 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 123.5 | 165.3 | -70.1 | 179.8 | -171 | -178.3 | 2.2 | 108.3 | A255 F271 Q275 | A255-R273 HydrophobicContact CB-CG 4.32Å; F271-R273 HydrophobicContact CD2-CG 3.97Å; F271-R273 HydrophobicContact CE2-CG 3.42Å; F271-R273 VanDerWaalsContact CE2-CG 3.42Å; F271-R273 HydrophobicContact CZ-CG 4.44Å; R273-Q275 PolarHBondContact O-N 3.24Å |
| 274 | L | 68.2 | Low | 63.2 | Low | 3 Ų | 3 | 84.6 Ų | 84.6 | 2% | 0.016 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 120.9 | 174.3 | -63.1 | -176.8 | 0 | 0 | 0 | 109.4 | L248 I256 A276 S277 F314 F323 | L248-L274 HydrophobicContact CD1-CD1 4.18Å; I256-L274 HydrophobicContact CB-CB 4.13Å; I256-L274 HydrophobicContact CB-CD1 3.72Å; I256-L274 HydrophobicContact CB-CG 4.06Å; I256-L274 HydrophobicContact CD1-CD1 4.05Å; I256-L274 HydrophobicContact CG2-CD1 3.3Å; I256-L274 HydrophobicContact CG2-CG 3.92Å; I256-L274 PolarHBondContact O-N 3.49Å; I256-L274 VanDerWaalsContact O-N 3.08Å; L274-A276 PolarHBondContact O-N 3.29Å; L274-S277 PolarHBondContact O-N 3.01Å; L274-S277 PolarHBondContact O-OG 3.02Å; L274-S277 VanDerWaalsContact O-OG 3.13Å; L274-F314 HydrophobicContact CB-CD1 4.2Å; L274-F314 HydrophobicContact CB-CE1 3.7Å; L274-F314 HydrophobicContact CB-CZ 3.92Å; L274-F314 HydrophobicContact CD1-CD1 4.04Å; L274-F314 HydrophobicContact CD1-CD2 3.82Å; L274-F314 HydrophobicContact CD1-CE1 4.12Å; L274-F314 HydrophobicContact CD1-CE2 3.89Å; L274-F314 HydrophobicContact CD1-CG 3.88Å; L274-F314 HydrophobicContact CD1-CZ 4.03Å; L274-F314 HydrophobicContact CD2-CD1 4.25Å; L274-F314 HydrophobicContact CG-CD1 4.42Å; L274-F314 HydrophobicContact CG-CE1 4.37Å; L274-F323 HydrophobicContact CD2-CB 3.45Å; L274-F323 VanDerWaalsContact CD2-CB 3.45Å; L274-F323 HydrophobicContact CD2-CD1 4.43Å; L274-F323 HydrophobicContact CD2-CG 4.01Å |
| 275 | Q | 61.6 | Low | 64.4 | Low | 166 Ų | 166 | 81.6 Ų | 81.6 | 78% | 0.776 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 137.2 | 180 | -72.2 | -169.6 | -11.6 | 0 | 0 | 109.9 | R273 | R273-Q275 PolarHBondContact O-N 3.24Š|
| 276 | A | 58.8 | Low | 65.8 | Low | 60 Ų | 60 | 76 Ų | 76 | 50% | 0.496 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -5.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | L274 R278 L325 | L274-A276 PolarHBondContact O-N 3.29Å; A276-R278 PolarHBondContact O-N 3.12Å; A276-L325 HydrophobicContact CB-CD2 3.85Å |
| 277 | S | 53.3 | Low | 67.2 | Low | 17 Ų | 17 | 72.5 Ų | 72.5 | 12% | 0.119 | 37% | 0.372 | C | S | . | . | trans | -69.9 | 98.8 | 165 | 64.2 | 0 | 0 | 0 | 0 | 108.6 | A255 I256 L274 | A255-S277 WeakPolarHBondContact CA-OG 3.43Å; A255-S277 WeakPolarHBondContact CB-OG 3.26Å; I256-S277 PolarHBondContact N-OG 2.87Å; L274-S277 PolarHBondContact O-N 3.01Å; L274-S277 PolarHBondContact O-OG 3.02Å; L274-S277 VanDerWaalsContact O-OG 3.13Å | ||
| 278 | R | 55.8 | Low | 68.6 | Low | 190 Ų | 190 | 73.5 Ų | 73.5 | 72% | 0.717 | 37% | 0.372 | S | S | * | . | trans | -65 | 150.6 | 171.4 | -68.4 | -175 | 177.8 | -171 | -0.5 | 107.7 | A276 L280 D281 | A276-R278 PolarHBondContact O-N 3.12Å; R278-L280 PolarHBondContact O-N 2.72Å; R278-D281 PolarHBondContact O-N 2.85Å | ||
| 279 | P | 54.9 | Low | 69.9 | Low | 102 Ų | 102 | 72.5 Ų | 72.5 | 66% | 0.662 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -21.3 | 179 | -26.1 | 33.6 | 0 | 0 | 0 | 114.5 | G254 | G254-P279 WeakPolarHBondContact CA-O 3.39Å; G254-P279 PolarHBondContact N-O 3.07Å |
| 280 | L | 52.9 | Low | 71 | Confident | 144 Ų | 144 | 71 Ų | 71 | 75% | 0.754 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -5.7 | -178.5 | -64.5 | 170.2 | 0 | 0 | 0 | 114.4 | R278 A282 C308 | R278-L280 PolarHBondContact O-N 2.72Å; L280-A282 PolarHBondContact O-N 3.11Å; L280-C308 PolarHBondContact O-SG 2.85Å |
| 281 | D | 61.9 | Low | 71.2 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.08 | 33% | 0.333 | C | S | . | . | trans | -76.8 | 77.2 | 176.1 | -87 | -55.8 | 0 | 0 | 0 | 109.9 | R278 V283 T306 C308 | R278-D281 PolarHBondContact O-N 2.85Å; D281-V283 PolarHBondContact O-N 2.89Å; D281-T306 HydrophobicContact CB-CG2 4.12Å; D281-T306 PolarHBondContact OD1-OG1 3Å; D281-C308 VanDerWaalsContact OD1-CB 3.31Å; D281-C308 WeakPolarHBondContact OD1-CB 3.15Å | ||
| 282 | A | 74.6 | Confident | 70.4 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | trans | -55.7 | 108.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | A252 L280 L284 T306 F307 | A252-A282 VanDerWaalsContact O-CA 3.31Å; A252-A282 WeakPolarHBondContact O-CA 3.38Å; A252-A282 WeakPolarHBondContact O-CB 3.27Å; L280-A282 PolarHBondContact O-N 3.11Å; A282-L284 PolarHBondContact O-N 2.86Å; A282-T306 CarbonylContact O-C 3.57Å; A282-T306 WeakPolarHBondContact O-CA 3.36Å; A282-F307 HydrophobicContact CB-CB 3.8Å; A282-F307 PolarHBondContact O-N 2.79Å | ||
| 283 | V | 79.9 | Confident | 69.1 | Low | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.2 | 177.4 | 173.9 | 0 | 0 | 0 | 0 | 108.4 | S233 T250 I256 D281 V304 | S233-V283 WeakPolarHBondContact CB-O 3.23Å; S233-V283 PolarHBondContact OG-O 3.34Å; T250-V283 HydrophobicContact CG2-CB 4.19Å; T250-V283 HydrophobicContact CG2-CG1 3.92Å; T250-V283 HydrophobicContact CG2-CG2 4.12Å; T250-V283 WeakPolarHBondContact OG1-CG1 3.45Å; I256-V283 HydrophobicContact CD1-CG2 4.11Å; I256-V283 HydrophobicContact CG1-CG2 3.81Å; D281-V283 PolarHBondContact O-N 2.89Å; V283-V304 HydrophobicContact CB-CG1 4.14Å; V283-V304 HydrophobicContact CG1-CG1 3.46Å; V283-V304 VanDerWaalsContact CG1-CG1 3.46Å; V283-V304 HydrophobicContact CG2-CG1 3.61Å |
| 284 | L | 81.5 | Confident | 67.7 | Low | 66 Ų | 66 | 64.9 Ų | 64.9 | 35% | 0.346 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -33.3 | 178.8 | -62.2 | 179.8 | 0 | 0 | 0 | 112.3 | A282 G305 F307 P334 V336 | A282-L284 PolarHBondContact O-N 2.86Å; L284-G305 PolarHBondContact N-O 2.86Å; L284-F307 HydrophobicContact CD1-CB 4.13Å; L284-F307 HydrophobicContact CD1-CD2 4.11Å; L284-F307 HydrophobicContact CD2-CB 4.31Å; L284-F307 HydrophobicContact CD2-CD2 4.34Å; L284-F307 HydrophobicContact CG-CB 4.19Å; L284-P334 HydrophobicContact CD1-CB 3.78Å; L284-V336 HydrophobicContact CD1-CG1 4.17Å |
| 285 | C | 83.7 | Confident | 66.7 | Low | 12 Ų | 12 | 73 Ų | 73 | 8% | 0.081 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 153.7 | -179.3 | 63 | 0 | 0 | 0 | 0 | 111.2 | V304 G305 V336 N337 | C285-V304 WeakPolarHBondContact O-CA 3.3Å; C285-G305 PolarHBondContact N-O 3.48Å; C285-G305 PolarHBondContact O-N 2.78Å; C285-V336 WeakPolarHBondContact CB-O 3.17Å; C285-V336 VanDerWaalsContact SG-C 3.52Å; C285-N337 WeakPolarHBondContact SG-CA 3.34Å; C285-N337 PolarHBondContact SG-N 2.92Å |
| 286 | A | 84.8 | Confident | 66.3 | Low | 23 Ų | 23 | 70.8 Ų | 70.8 | 19% | 0.19 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I236 Y303 V304 | I236-A286 HydrophobicContact CD1-CB 3.68Å; A286-Y303 CarbonylContact C-O 3.49Å; A286-Y303 WeakPolarHBondContact CA-O 3.5Å; A286-V304 HydrophobicContact CB-CG2 4.49Å |
| 287 | C | 85.8 | Confident | 66.3 | Low | 24 Ų | 24 | 69.1 Ų | 69.1 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 131.3 | 174.5 | 176 | 0 | 0 | 0 | 0 | 109 | I302 Y303 V338 | C287-I302 WeakPolarHBondContact O-CA 3.42Å; C287-Y303 PolarHBondContact N-O 3.19Å; C287-Y303 PolarHBondContact O-N 2.78Å; C287-V338 HydrophobicContact CB-CB 4.26Å; C287-V338 HydrophobicContact CB-CG1 4.46Å; C287-V338 VanDerWaalsContact CB-O 3.26Å; C287-V338 WeakPolarHBondContact CB-O 3.32Å |
| 288 | H | 86.1 | Confident | 66.9 | Low | 59 Ų | 59 | 68.9 Ų | 68.9 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129.4 | 178.2 | 164.9 | -131.9 | 0 | 0 | 0 | 110.1 | I236 L238 R290 H300 | I236-H288 HydrophobicContact CD1-CB 4.22Å; I236-H288 HydrophobicContact CG2-CB 4.02Å; L238-H288 HydrophobicContact CD2-CB 4.41Å; H288-R290 PolarHBondContact NE2-N 3.18Å; H288-H300 AromaticContact CD2-ND1 3.82Å; H288-H300 AromaticContact CE1-ND1 3.53Å; H288-H300 AromaticContact NE2-CG 3.68Å; H288-H300 AromaticContact NE2-ND1 2.93Å; H288-H300 PolarHBondContact NE2-ND1 3.15Å |
| 289 | V | 81.5 | Confident | 68 | Low | 35 Ų | 35 | 61.1 Ų | 61.1 | 21% | 0.212 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.6 | 169.2 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | L301 Y303 A340 | V289-L301 HydrophobicContact CB-CB 4.34Å; V289-L301 PolarHBondContact N-O 2.84Å; V289-L301 PolarHBondContact O-N 3.25Å; V289-Y303 HydrophobicContact CB-CE2 4.36Å; V289-Y303 HydrophobicContact CG2-CD2 4.25Å; V289-Y303 HydrophobicContact CG2-CE2 3.78Å; V289-A340 HydrophobicContact CG2-CB 3.39Å |
| 290 | R | 76 | Confident | 69.5 | Low | 139 Ų | 139 | 56.2 Ų | 56.2 | 53% | 0.525 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.9 | 173.1 | -170.5 | 178.5 | -174.1 | 174.5 | 4.1 | 109.2 | H288 S292 C298 | H288-R290 PolarHBondContact NE2-N 3.18Å; R290-S292 PolarHBondContact O-N 3.08Å; R290-C298 PolarHBondContact NE-SG 2.84Å |
| 291 | M | 70.3 | Confident | 71.2 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 21% | 0.212 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 99.8 | 171.5 | -63.2 | -82.9 | -76.4 | 0 | 0 | 107.3 | M1 S293 N299 L301 | M1-M291 HydrophobicContact CE-CE 4.34Å; M291-S293 PolarHBondContact O-N 2.82Å; M291-N299 HydrophobicContact CB-CB 4.28Å; M291-N299 WeakPolarHBondContact CB-O 3.49Å; M291-N299 PolarHBondContact N-O 3.01Å; M291-L301 HydrophobicContact CE-CD1 4.34Å; M291-L301 HydrophobicContact CG-CD1 3.93Å; M291-L301 HydrophobicContact CG-CG 4.03Å; M291-L301 HydrophobicContact SD-CD1 3.76Å |
| 292 | S | 57.9 | Low | 72.4 | Confident | 113 Ų | 113 | 48.8 Ų | 48.8 | 79% | 0.79 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 104.7 | 171.7 | 71.4 | 0 | 0 | 0 | 0 | 109.1 | R290 | R290-S292 PolarHBondContact O-N 3.08Å |
| 293 | S | 46.7 | Very low | 73 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 94.9 | 167.7 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | M1 M291 | M1-S293 WeakPolarHBondContact CE-OG 3.4Å; M291-S293 PolarHBondContact O-N 2.82Å |
| 294 | S | 45.3 | Very low | 73.4 | Confident | 96 Ų | 96 | 47.8 Ų | 47.8 | 67% | 0.671 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 155.1 | 175.9 | 73.9 | 0 | 0 | 0 | 0 | 115.2 | V296 | S294-V296 PolarHBondContact O-N 2.84Š|
| 295 | N | 48.4 | Very low | 73.8 | Confident | 173 Ų | 173 | 44.6 Ų | 44.6 | 93% | 0.925 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 7 | -172.4 | -69.3 | -18.9 | 0 | 0 | 0 | 115.8 | ||
| 296 | V | 52.4 | Low | 74 | Confident | 121 Ų | 121 | 44 Ų | 44 | 73% | 0.733 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -27.9 | -166.9 | -165.9 | 0 | 0 | 0 | 0 | 113 | S294 | S294-V296 PolarHBondContact O-N 2.84Š|
| 297 | A | 58.8 | Low | 74 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 21% | 0.207 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 119.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 298 | C | 65.9 | Low | 73.9 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.081 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 98.9 | 171.9 | -170.1 | 0 | 0 | 0 | 0 | 108.5 | R290 H300 | R290-C298 PolarHBondContact NE-SG 2.84Å; C298-H300 PolarHBondContact O-CD2 2.88Å; C298-H300 PolarHBondContact SG-NE2 2.93Å; C298-H300 VanDerWaalsContact SG-NE2 3.38Å |
| 299 | N | 79.3 | Confident | 74.1 | Confident | 26 Ų | 26 | 49 Ų | 49 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 139.9 | 172.8 | -77.1 | -15.9 | 0 | 0 | 0 | 110.1 | M291 C316 E317 | M291-N299 HydrophobicContact CB-CB 4.28Å; M291-N299 WeakPolarHBondContact CB-O 3.49Å; M291-N299 PolarHBondContact N-O 3.01Å; N299-C316 CarbonylContact C-O 3.58Å; N299-C316 WeakPolarHBondContact CA-O 3.06Å; N299-E317 WeakPolarHBondContact OD1-CB 3.36Å |
| 300 | H | 85.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.5 | 177 | -53 | -110.2 | 0 | 0 | 0 | 108.1 | P239 H288 C298 C316 C318 | P239-H300 PolarHBondContact O-CE1 3.25Å; P239-H300 PolarHBondContact O-NE2 2.81Å; P239-H300 VanDerWaalsContact O-NE2 3.09Å; H288-H300 AromaticContact CD2-ND1 3.82Å; H288-H300 AromaticContact CE1-ND1 3.53Å; H288-H300 AromaticContact NE2-CG 3.68Å; H288-H300 AromaticContact NE2-ND1 2.93Å; H288-H300 PolarHBondContact NE2-ND1 3.15Å; C298-H300 PolarHBondContact O-CD2 2.88Å; C298-H300 PolarHBondContact SG-NE2 2.93Å; C298-H300 VanDerWaalsContact SG-NE2 3.38Å; H300-C316 HydrophobicContact CB-CB 4.08Å; H300-C316 PolarHBondContact N-O 3.13Å; H300-C316 WeakPolarHBondContact O-CB 3.49Å; H300-C316 PolarHBondContact O-N 2.65Å; H300-C318 VanDerWaalsContact CD2-SG 3.54Å |
| 301 | L | 87.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.7 | 165 | -71.6 | 172.1 | 0 | 0 | 0 | 108.8 | V3 V289 M291 Y303 V313 F314 N315 V326 | V3-L301 HydrophobicContact CG1-CD1 4.27Å; V3-L301 HydrophobicContact CG1-CD2 3.61Å; V289-L301 HydrophobicContact CB-CB 4.34Å; V289-L301 PolarHBondContact N-O 2.84Å; V289-L301 PolarHBondContact O-N 3.25Å; M291-L301 HydrophobicContact CE-CD1 4.34Å; M291-L301 HydrophobicContact CG-CD1 3.93Å; M291-L301 HydrophobicContact CG-CG 4.03Å; M291-L301 HydrophobicContact SD-CD1 3.76Å; L301-Y303 HydrophobicContact CB-CE2 3.92Å; L301-V313 HydrophobicContact CD2-CG1 4.15Å; L301-F314 WeakPolarHBondContact CA-O 3.43Å; L301-N315 HydrophobicContact CD2-CB 4.07Å; L301-V326 HydrophobicContact CD2-CG2 4.39Å |
| 302 | I | 87.7 | Confident | 75.9 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 110.8 | -179.2 | -49.2 | -177.4 | 0 | 0 | 0 | 107.7 | L238 L248 C287 V304 V313 F314 C316 | L238-I302 HydrophobicContact CD1-CD1 3.67Å; L248-I302 HydrophobicContact CD1-CD1 4.19Å; L248-I302 HydrophobicContact CD2-CD1 4.03Å; L248-I302 HydrophobicContact CD2-CG2 3.66Å; C287-I302 WeakPolarHBondContact O-CA 3.42Å; I302-V304 HydrophobicContact CG2-CG2 3.88Å; I302-V313 WeakPolarHBondContact O-CA 3.39Å; I302-F314 HydrophobicContact CB-CB 4.41Å; I302-F314 PolarHBondContact N-O 2.9Å; I302-F314 PolarHBondContact O-N 2.93Å; I302-C316 HydrophobicContact CD1-CB 4.2Å; I302-C316 WeakPolarHBondContact CD1-SG 3.49Å |
| 303 | Y | 88.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.4 | 174.8 | -61.3 | -99.1 | 0 | 0 | 0 | 108.4 | F6 A286 C287 V289 L301 L312 V313 V338 I345 M358 | F6-Y303 HydrophobicContact CD2-CE1 4.39Å; F6-Y303 AromaticContact CE2-CD1 3.84Å; F6-Y303 HydrophobicContact CE2-CD1 3.84Å; F6-Y303 AromaticContact CE2-CE1 3.55Å; F6-Y303 HydrophobicContact CE2-CE1 3.55Å; F6-Y303 HydrophobicContact CZ-CD1 4.1Å; F6-Y303 AromaticContact CZ-CE1 3.98Å; F6-Y303 HydrophobicContact CZ-CE1 3.98Å; A286-Y303 CarbonylContact C-O 3.49Å; A286-Y303 WeakPolarHBondContact CA-O 3.5Å; C287-Y303 PolarHBondContact N-O 3.19Å; C287-Y303 PolarHBondContact O-N 2.78Å; V289-Y303 HydrophobicContact CB-CE2 4.36Å; V289-Y303 HydrophobicContact CG2-CD2 4.25Å; V289-Y303 HydrophobicContact CG2-CE2 3.78Å; L301-Y303 HydrophobicContact CB-CE2 3.92Å; Y303-L312 CarbonylContact C-O 3.57Å; Y303-L312 WeakPolarHBondContact CA-O 3.21Å; Y303-V313 HydrophobicContact CD1-CB 4.44Å; Y303-V313 HydrophobicContact CD1-CG1 4.1Å; Y303-V313 HydrophobicContact CD1-CG2 3.56Å; Y303-V313 HydrophobicContact CE1-CB 4.49Å; Y303-V313 HydrophobicContact CE1-CG1 3.88Å; Y303-V313 HydrophobicContact CE1-CG2 3.71Å; Y303-V313 HydrophobicContact CG-CG1 4.48Å; Y303-V313 HydrophobicContact CG-CG2 4.43Å; Y303-V338 HydrophobicContact CD1-CG1 4.27Å; Y303-V338 HydrophobicContact CG-CG1 4.12Å; Y303-I345 HydrophobicContact CD1-CG2 4.38Å; Y303-I345 HydrophobicContact CE1-CD1 3.66Å; Y303-I345 HydrophobicContact CE1-CG1 4.19Å; Y303-I345 HydrophobicContact CE1-CG2 4.27Å; Y303-M358 WeakPolarHBondContact OH-CE 3.22Å |
| 304 | V | 88.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 119.2 | -175.9 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | I256 V283 C285 A286 I302 L311 L312 F314 | I256-V304 HydrophobicContact CD1-CB 4.27Å; I256-V304 HydrophobicContact CD1-CG1 3.83Å; I256-V304 HydrophobicContact CD1-CG2 4.06Å; V283-V304 HydrophobicContact CB-CG1 4.14Å; V283-V304 HydrophobicContact CG1-CG1 3.46Å; V283-V304 VanDerWaalsContact CG1-CG1 3.46Å; V283-V304 HydrophobicContact CG2-CG1 3.61Å; C285-V304 WeakPolarHBondContact O-CA 3.3Å; A286-V304 HydrophobicContact CB-CG2 4.49Å; I302-V304 HydrophobicContact CG2-CG2 3.88Å; V304-L311 WeakPolarHBondContact O-CA 3.41Å; V304-L312 HydrophobicContact CB-CB 4.36Å; V304-L312 PolarHBondContact N-O 2.81Å; V304-L312 PolarHBondContact O-N 2.89Å; V304-F314 HydrophobicContact CG2-CD2 4.17Å; V304-F314 HydrophobicContact CG2-CE2 4.16Å |
| 305 | G | 88.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 134 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L284 C285 V335 | L284-G305 PolarHBondContact N-O 2.86Å; C285-G305 PolarHBondContact N-O 3.48Å; C285-G305 PolarHBondContact O-N 2.78Å; G305-V335 CarbonylContact C-O 3.59Å |
| 306 | T | 87.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 157 | -177.4 | 84.8 | 0 | 0 | 0 | 0 | 112.9 | D281 A282 C308 C309 K310 L312 V335 | D281-T306 HydrophobicContact CB-CG2 4.12Å; D281-T306 PolarHBondContact OD1-OG1 3Å; A282-T306 CarbonylContact O-C 3.57Å; A282-T306 WeakPolarHBondContact O-CA 3.36Å; T306-C308 PolarHBondContact O-N 3.31Å; T306-C308 PolarHBondContact OG1-N 2.87Å; T306-C309 PolarHBondContact O-N 3.16Å; T306-K310 HydrophobicContact CG2-CB 4.23Å; T306-K310 PolarHBondContact N-O 3.5Å; T306-K310 WeakPolarHBondContact OG1-CB 3.38Å; T306-K310 PolarHBondContact OG1-N 3.35Å; T306-L312 HydrophobicContact CG2-CD1 4.21Å; T306-L312 HydrophobicContact CG2-CG 4.48Å; T306-V335 PolarHBondContact O-N 2.94Å |
| 307 | F | 85.2 | Confident | 84.3 | Confident | 124 Ų | 124 | 19.3 Ų | 19.3 | 54% | 0.544 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.9 | 171.8 | -169.2 | -96.4 | 0 | 0 | 0 | 112.4 | A282 L284 C309 P334 | A282-F307 HydrophobicContact CB-CB 3.8Å; A282-F307 PolarHBondContact O-N 2.79Å; L284-F307 HydrophobicContact CD1-CB 4.13Å; L284-F307 HydrophobicContact CD1-CD2 4.11Å; L284-F307 HydrophobicContact CD2-CB 4.31Å; L284-F307 HydrophobicContact CD2-CD2 4.34Å; L284-F307 HydrophobicContact CG-CB 4.19Å; F307-C309 PolarHBondContact O-N 2.82Å; F307-P334 HydrophobicContact CD2-CB 4.28Å; F307-P334 HydrophobicContact CD2-CG 4.05Å; F307-P334 HydrophobicContact CE2-CG 4.15Å; F307-P334 HydrophobicContact CG-CG 4.47Å; F307-P334 WeakPolarHBondContact O-CG 3.36Å |
| 308 | C | 85.2 | Confident | 85.3 | Confident | 58 Ų | 58 | 18.3 Ų | 18.3 | 39% | 0.392 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 26.9 | 174.9 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | L280 D281 T306 K310 | L280-C308 PolarHBondContact O-SG 2.85Å; D281-C308 VanDerWaalsContact OD1-CB 3.31Å; D281-C308 WeakPolarHBondContact OD1-CB 3.15Å; T306-C308 PolarHBondContact O-N 3.31Å; T306-C308 PolarHBondContact OG1-N 2.87Å; C308-K310 VanDerWaalsContact C-N 3.28Å; C308-K310 PolarHBondContact O-N 2.99Å |
| 309 | C | 88.8 | Confident | 85.8 | Confident | 29 Ų | 29 | 19.5 Ų | 19.5 | 20% | 0.196 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 60.9 | 33 | 174.4 | -40.5 | 0 | 0 | 0 | 0 | 113.3 | T306 F307 S330 F331 S333 | T306-C309 PolarHBondContact O-N 3.16Å; F307-C309 PolarHBondContact O-N 2.82Å; C309-S330 CarbonylContact O-C 2.91Å; C309-S330 WeakPolarHBondContact O-CA 3.5Å; C309-F331 HydrophobicContact CB-CB 4.4Å; C309-F331 WeakPolarHBondContact CB-O 3.43Å; C309-F331 PolarHBondContact O-N 2.76Å; C309-S333 WeakPolarHBondContact CA-O 3.36Å; C309-S333 WeakPolarHBondContact CB-O 3.39Å; C309-S333 VanDerWaalsContact SG-CA 3.52Å |
| 310 | K | 88.7 | Confident | 85.8 | Confident | 65 Ų | 65 | 24.8 Ų | 24.8 | 28% | 0.283 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144.7 | 176.7 | -58.5 | -64.4 | -178 | 168.6 | 0 | 111.7 | T306 C308 L312 R329 S330 V335 | T306-K310 HydrophobicContact CG2-CB 4.23Å; T306-K310 PolarHBondContact N-O 3.5Å; T306-K310 WeakPolarHBondContact OG1-CB 3.38Å; T306-K310 PolarHBondContact OG1-N 3.35Å; C308-K310 VanDerWaalsContact C-N 3.28Å; C308-K310 PolarHBondContact O-N 2.99Å; K310-L312 HydrophobicContact CB-CD2 4.2Å; K310-L312 HydrophobicContact CB-CG 4.45Å; K310-R329 WeakPolarHBondContact CA-O 3.41Å; K310-S330 PolarHBondContact NZ-OG 2.79Å; K310-V335 WeakPolarHBondContact O-CG2 3.42Å |
| 311 | L | 89.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.3 | 159.6 | 178.7 | 58.3 | 0 | 0 | 0 | 108.5 | F6 V304 C328 R329 F331 V338 V347 | F6-L311 HydrophobicContact CE1-CD2 4.04Å; F6-L311 HydrophobicContact CE2-CD2 3.69Å; F6-L311 HydrophobicContact CE2-CG 4.4Å; F6-L311 HydrophobicContact CZ-CD2 3.24Å; F6-L311 HydrophobicContact CZ-CG 4.35Å; V304-L311 WeakPolarHBondContact O-CA 3.41Å; L311-C328 WeakPolarHBondContact O-CA 3.5Å; L311-R329 PolarHBondContact N-O 3.27Å; L311-R329 PolarHBondContact O-N 3.19Å; L311-F331 HydrophobicContact CB-CD2 4.38Å; L311-F331 HydrophobicContact CB-CE2 3.66Å; L311-F331 HydrophobicContact CD2-CE2 4.2Å; L311-F331 HydrophobicContact CD2-CZ 4.43Å; L311-V338 HydrophobicContact CD1-CG1 4.44Å; L311-V338 HydrophobicContact CD1-CG2 3.66Å; L311-V347 HydrophobicContact CD2-CG1 4.26Å; L311-V347 HydrophobicContact CD2-CG2 3.55Å |
| 312 | L | 87.3 | Confident | 84.7 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 137.1 | 177 | -51.4 | 176.6 | 0 | 0 | 0 | 108.2 | Y303 V304 T306 K310 F314 L325 C328 | Y303-L312 CarbonylContact C-O 3.57Å; Y303-L312 WeakPolarHBondContact CA-O 3.21Å; V304-L312 HydrophobicContact CB-CB 4.36Å; V304-L312 PolarHBondContact N-O 2.81Å; V304-L312 PolarHBondContact O-N 2.89Å; T306-L312 HydrophobicContact CG2-CD1 4.21Å; T306-L312 HydrophobicContact CG2-CG 4.48Å; K310-L312 HydrophobicContact CB-CD2 4.2Å; K310-L312 HydrophobicContact CB-CG 4.45Å; L312-F314 HydrophobicContact CB-CD2 4.38Å; L312-F314 HydrophobicContact CB-CE2 3.57Å; L312-F314 HydrophobicContact CB-CZ 3.99Å; L312-F314 HydrophobicContact CD1-CE2 4.17Å; L312-F314 HydrophobicContact CD1-CZ 4.08Å; L312-L325 HydrophobicContact CB-CD1 3.87Å; L312-L325 HydrophobicContact CD2-CD1 4.18Å; L312-C328 HydrophobicContact CD2-CB 4.19Å |
| 313 | V | 87.8 | Confident | 84.3 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.4 | 172.5 | -168.7 | 0 | 0 | 0 | 0 | 108.5 | F6 L301 I302 Y303 V326 F327 | F6-V313 HydrophobicContact CD2-CG2 4.16Å; F6-V313 HydrophobicContact CE2-CG2 3.66Å; L301-V313 HydrophobicContact CD2-CG1 4.15Å; I302-V313 WeakPolarHBondContact O-CA 3.39Å; Y303-V313 HydrophobicContact CD1-CB 4.44Å; Y303-V313 HydrophobicContact CD1-CG1 4.1Å; Y303-V313 HydrophobicContact CD1-CG2 3.56Å; Y303-V313 HydrophobicContact CE1-CB 4.49Å; Y303-V313 HydrophobicContact CE1-CG1 3.88Å; Y303-V313 HydrophobicContact CE1-CG2 3.71Å; Y303-V313 HydrophobicContact CG-CG1 4.48Å; Y303-V313 HydrophobicContact CG-CG2 4.43Å; V313-V326 HydrophobicContact CB-CG2 4.03Å; V313-V326 HydrophobicContact CG1-CG2 3.88Å; V313-V326 VanDerWaalsContact O-CG2 3.29Å; V313-V326 WeakPolarHBondContact O-CG2 3.35Å; V313-V326 PolarHBondContact O-N 3.26Å; V313-F327 HydrophobicContact CB-CB 3.82Å; V313-F327 HydrophobicContact CG2-CB 3.81Å; V313-F327 HydrophobicContact CG2-CD1 3.85Å; V313-F327 HydrophobicContact CG2-CG 4.28Å; V313-F327 PolarHBondContact N-O 2.85Å; V313-F327 PolarHBondContact O-N 3.37Å |
| 314 | F | 85.3 | Confident | 84 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.8 | 176.4 | -59.5 | -86.2 | 0 | 0 | 0 | 109.7 | I256 L274 L301 I302 V304 L312 E324 L325 | I256-F314 HydrophobicContact CD1-CE2 3.83Å; I256-F314 HydrophobicContact CD1-CZ 4.22Å; L274-F314 HydrophobicContact CB-CD1 4.2Å; L274-F314 HydrophobicContact CB-CE1 3.7Å; L274-F314 HydrophobicContact CB-CZ 3.92Å; L274-F314 HydrophobicContact CD1-CD1 4.04Å; L274-F314 HydrophobicContact CD1-CD2 3.82Å; L274-F314 HydrophobicContact CD1-CE1 4.12Å; L274-F314 HydrophobicContact CD1-CE2 3.89Å; L274-F314 HydrophobicContact CD1-CG 3.88Å; L274-F314 HydrophobicContact CD1-CZ 4.03Å; L274-F314 HydrophobicContact CD2-CD1 4.25Å; L274-F314 HydrophobicContact CG-CD1 4.42Å; L274-F314 HydrophobicContact CG-CE1 4.37Å; L301-F314 WeakPolarHBondContact CA-O 3.43Å; I302-F314 HydrophobicContact CB-CB 4.41Å; I302-F314 PolarHBondContact N-O 2.9Å; I302-F314 PolarHBondContact O-N 2.93Å; V304-F314 HydrophobicContact CG2-CD2 4.17Å; V304-F314 HydrophobicContact CG2-CE2 4.16Å; L312-F314 HydrophobicContact CB-CD2 4.38Å; L312-F314 HydrophobicContact CB-CE2 3.57Å; L312-F314 HydrophobicContact CB-CZ 3.99Å; L312-F314 HydrophobicContact CD1-CE2 4.17Å; L312-F314 HydrophobicContact CD1-CZ 4.08Å; F314-E324 CarbonylContact C-O 3.57Å; F314-E324 WeakPolarHBondContact CA-O 3.49Å; F314-L325 HydrophobicContact CD1-CB 4.04Å; F314-L325 HydrophobicContact CD1-CD1 4.08Å; F314-L325 HydrophobicContact CE1-CB 3.83Å; F314-L325 HydrophobicContact CE1-CD1 3.64Å; F314-L325 HydrophobicContact CE1-CG 4.34Å; F314-L325 HydrophobicContact CE2-CD1 4.28Å; F314-L325 HydrophobicContact CZ-CD1 3.76Å |
| 315 | N | 85.7 | Confident | 83.8 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.8 | 162 | -177.8 | 29.7 | 0 | 0 | 0 | 108.3 | L301 F323 E324 V326 | L301-N315 HydrophobicContact CD2-CB 4.07Å; N315-F323 WeakPolarHBondContact O-CA 3.34Å; N315-E324 PolarHBondContact N-O 2.88Å; N315-E324 PolarHBondContact O-N 2.9Å; N315-V326 HydrophobicContact CB-CG1 3.56Å; N315-V326 HydrophobicContact CB-CG2 4.34Å |
| 316 | C | 84.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.7 | -167.4 | -56.7 | 0 | 0 | 0 | 0 | 109.6 | N299 H300 I302 I322 F323 | N299-C316 CarbonylContact C-O 3.58Å; N299-C316 WeakPolarHBondContact CA-O 3.06Å; H300-C316 HydrophobicContact CB-CB 4.08Å; H300-C316 PolarHBondContact N-O 3.13Å; H300-C316 WeakPolarHBondContact O-CB 3.49Å; H300-C316 PolarHBondContact O-N 2.65Å; I302-C316 HydrophobicContact CD1-CB 4.2Å; I302-C316 WeakPolarHBondContact CD1-SG 3.49Å; C316-I322 CarbonylContact C-O 3.51Å; C316-I322 WeakPolarHBondContact CA-O 3.32Å; C316-F323 HydrophobicContact CB-CD1 3.5Å; C316-F323 HydrophobicContact CB-CE1 3.71Å |
| 317 | E | 83.9 | Confident | 83.6 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 13% | 0.131 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 86.9 | 170.2 | -168.5 | 177.4 | -178 | 0 | 0 | 108.2 | N299 A319 K320 G321 I322 | N299-E317 WeakPolarHBondContact OD1-CB 3.36Å; E317-A319 VanDerWaalsContact C-N 3.3Å; E317-A319 PolarHBondContact O-N 3.39Å; E317-K320 VanDerWaalsContact CD-NZ 3.28Å; E317-K320 HydrophobicContact CG-CB 4.26Å; E317-K320 HydrophobicContact CG-CD 4.49Å; E317-K320 HydrophobicContact CG-CG 4.2Å; E317-K320 PolarHBondContact O-N 2.88Å; E317-K320 WeakPolarHBondContact OE1-CD 3.49Å; E317-K320 WeakPolarHBondContact OE1-CE 3.27Å; E317-K320 IonicContact OE1-NZ 3.86Å; E317-K320 PolarHBondContact OE1-NZ 3.31Å; E317-K320 WeakPolarHBondContact OE2-CD 3.14Å; E317-K320 IonicContact OE2-NZ 3.7Å; E317-K320 PolarHBondContact OE2-NZ 2.99Å; E317-K320 VanDerWaalsContact OE2-NZ 3.1Å; E317-G321 PolarHBondContact O-N 2.88Å; E317-G321 VanDerWaalsContact O-N 3.12Å; E317-I322 HydrophobicContact CB-CB 4.21Å; E317-I322 PolarHBondContact N-O 2.97Å; E317-I322 PolarHBondContact O-N 2.85Å |
| 318 | C | 80.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -57.1 | -42 | -168.1 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | D240 H246 H300 K320 G321 | D240-C318 HydrophobicContact CB-CB 3.97Å; H246-C318 PolarHBondContact CE1-O 2.87Å; H300-C318 VanDerWaalsContact CD2-SG 3.54Å; C318-K320 PolarHBondContact O-N 2.94Å; C318-G321 PolarHBondContact O-N 2.82Å |
| 319 | A | 77.5 | Confident | 83.8 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 31% | 0.314 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -60.7 | -30 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D240 F242 E317 | D240-A319 HydrophobicContact CB-CB 4.25Å; F242-A319 HydrophobicContact CD2-CB 3.91Å; F242-A319 HydrophobicContact CE2-CB 3.77Å; E317-A319 VanDerWaalsContact C-N 3.3Å; E317-A319 PolarHBondContact O-N 3.39Å |
| 320 | K | 77.6 | Confident | 83.8 | Confident | 137 Ų | 137 | 44.5 Ų | 44.5 | 60% | 0.596 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -98.9 | -2.5 | 178 | -63.7 | -166.2 | -169.2 | 133.7 | 0 | 113.1 | E317 C318 I322 | E317-K320 VanDerWaalsContact CD-NZ 3.28Å; E317-K320 HydrophobicContact CG-CB 4.26Å; E317-K320 HydrophobicContact CG-CD 4.49Å; E317-K320 HydrophobicContact CG-CG 4.2Å; E317-K320 PolarHBondContact O-N 2.88Å; E317-K320 WeakPolarHBondContact OE1-CD 3.49Å; E317-K320 WeakPolarHBondContact OE1-CE 3.27Å; E317-K320 IonicContact OE1-NZ 3.86Å; E317-K320 PolarHBondContact OE1-NZ 3.31Å; E317-K320 WeakPolarHBondContact OE2-CD 3.14Å; E317-K320 IonicContact OE2-NZ 3.7Å; E317-K320 PolarHBondContact OE2-NZ 2.99Å; E317-K320 VanDerWaalsContact OE2-NZ 3.1Å; C318-K320 PolarHBondContact O-N 2.94Å; K320-I322 HydrophobicContact CB-CD1 3.75Å; K320-I322 HydrophobicContact CB-CG1 3.8Å; K320-I322 HydrophobicContact CD-CD1 3.93Å; K320-I322 PolarHBondContact O-N 2.67Å |
| 321 | G | 74.4 | Confident | 83.8 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 25.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E317 C318 F323 | E317-G321 PolarHBondContact O-N 2.88Å; E317-G321 VanDerWaalsContact O-N 3.12Å; C318-G321 PolarHBondContact O-N 2.82Å; G321-F323 VanDerWaalsContact C-CD2 3.5Å; G321-F323 WeakPolarHBondContact O-CD2 3.43Å; G321-F323 WeakPolarHBondContact O-CE2 3.07Å |
| 322 | I | 77.5 | Confident | 83.8 | Confident | 81 Ų | 81 | 51 Ų | 51 | 42% | 0.415 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.7 | -179.2 | -61 | 171.8 | 0 | 0 | 0 | 108.9 | C316 E317 K320 | C316-I322 CarbonylContact C-O 3.51Å; C316-I322 WeakPolarHBondContact CA-O 3.32Å; E317-I322 HydrophobicContact CB-CB 4.21Å; E317-I322 PolarHBondContact N-O 2.97Å; E317-I322 PolarHBondContact O-N 2.85Å; K320-I322 HydrophobicContact CB-CD1 3.75Å; K320-I322 HydrophobicContact CB-CG1 3.8Å; K320-I322 HydrophobicContact CD-CD1 3.93Å; K320-I322 PolarHBondContact O-N 2.67Å |
| 323 | F | 79.1 | Confident | 83.9 | Confident | 32 Ų | 32 | 51.1 Ų | 51.1 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 110.8 | 179.1 | -51.9 | -77.8 | 0 | 0 | 0 | 109.8 | L258 V272 L274 N315 C316 G321 | L258-F323 HydrophobicContact CD2-CD1 3.78Å; L258-F323 HydrophobicContact CD2-CD2 4.16Å; L258-F323 HydrophobicContact CD2-CE1 3.04Å; L258-F323 HydrophobicContact CD2-CE2 3.41Å; L258-F323 VanDerWaalsContact CD2-CE2 3.41Å; L258-F323 HydrophobicContact CD2-CG 4.32Å; L258-F323 HydrophobicContact CD2-CZ 2.84Å; L258-F323 HydrophobicContact CG-CE1 4.43Å; L258-F323 HydrophobicContact CG-CZ 4.32Å; V272-F323 HydrophobicContact CB-CD2 4.07Å; V272-F323 HydrophobicContact CB-CE2 4.34Å; V272-F323 HydrophobicContact CG1-CD2 3.91Å; V272-F323 HydrophobicContact CG2-CD2 4.07Å; V272-F323 HydrophobicContact CG2-CE2 3.97Å; L274-F323 HydrophobicContact CD2-CB 3.45Å; L274-F323 VanDerWaalsContact CD2-CB 3.45Å; L274-F323 HydrophobicContact CD2-CD1 4.43Å; L274-F323 HydrophobicContact CD2-CG 4.01Å; N315-F323 WeakPolarHBondContact O-CA 3.34Å; C316-F323 HydrophobicContact CB-CD1 3.5Å; C316-F323 HydrophobicContact CB-CE1 3.71Å; G321-F323 VanDerWaalsContact C-CD2 3.5Å; G321-F323 WeakPolarHBondContact O-CD2 3.43Å; G321-F323 WeakPolarHBondContact O-CE2 3.07Å |
| 324 | E | 81.4 | Confident | 84 | Confident | 115 Ų | 115 | 52.3 Ų | 52.3 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 131.4 | -172.6 | -173.7 | 179.6 | -178.4 | 0 | 0 | 110.4 | F314 N315 V326 | F314-E324 CarbonylContact C-O 3.57Å; F314-E324 WeakPolarHBondContact CA-O 3.49Å; N315-E324 PolarHBondContact N-O 2.88Å; N315-E324 PolarHBondContact O-N 2.9Å; E324-V326 HydrophobicContact CG-CG1 4.41Å; E324-V326 PolarHBondContact O-N 2.85Å |
| 325 | L | 84.5 | Confident | 84.2 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 109.4 | 167.7 | -178.8 | 75.4 | 0 | 0 | 0 | 108.5 | A276 L312 F314 F327 C328 | A276-L325 HydrophobicContact CB-CD2 3.85Å; L312-L325 HydrophobicContact CB-CD1 3.87Å; L312-L325 HydrophobicContact CD2-CD1 4.18Å; F314-L325 HydrophobicContact CD1-CB 4.04Å; F314-L325 HydrophobicContact CD1-CD1 4.08Å; F314-L325 HydrophobicContact CE1-CB 3.83Å; F314-L325 HydrophobicContact CE1-CD1 3.64Å; F314-L325 HydrophobicContact CE1-CG 4.34Å; F314-L325 HydrophobicContact CE2-CD1 4.28Å; F314-L325 HydrophobicContact CZ-CD1 3.76Å; L325-F327 VanDerWaalsContact CD1-O 3.31Å; L325-F327 WeakPolarHBondContact CD1-O 3.36Å; L325-C328 HydrophobicContact CD2-CB 4.35Å |
| 326 | V | 85.2 | Confident | 84.2 | Confident | 38 Ų | 38 | 52 Ų | 52 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -16.4 | -179.4 | -65.3 | 0 | 0 | 0 | 0 | 112.8 | V3 V5 L301 V313 N315 E324 | V3-V326 HydrophobicContact CG1-CG2 4.16Å; V5-V326 HydrophobicContact CG2-CB 4.39Å; V5-V326 HydrophobicContact CG2-CG2 4.28Å; L301-V326 HydrophobicContact CD2-CG2 4.39Å; V313-V326 HydrophobicContact CB-CG2 4.03Å; V313-V326 HydrophobicContact CG1-CG2 3.88Å; V313-V326 VanDerWaalsContact O-CG2 3.29Å; V313-V326 WeakPolarHBondContact O-CG2 3.35Å; V313-V326 PolarHBondContact O-N 3.26Å; N315-V326 HydrophobicContact CB-CG1 3.56Å; N315-V326 HydrophobicContact CB-CG2 4.34Å; E324-V326 HydrophobicContact CG-CG1 4.41Å; E324-V326 PolarHBondContact O-N 2.85Å |
| 327 | F | 85.9 | Confident | 84.5 | Confident | 44 Ų | 44 | 53.9 Ų | 53.9 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 143.1 | -179.9 | -172.2 | -103 | 0 | 0 | 0 | 112.2 | V5 F6 V313 L325 R329 | V5-F327 HydrophobicContact CG1-CB 3.71Å; V5-F327 HydrophobicContact CG1-CD2 3.28Å; V5-F327 HydrophobicContact CG1-CE2 4.1Å; V5-F327 HydrophobicContact CG1-CG 3.76Å; F6-F327 HydrophobicContact CB-CD2 4.49Å; F6-F327 HydrophobicContact CB-CE1 4Å; F6-F327 HydrophobicContact CB-CE2 3.86Å; F6-F327 HydrophobicContact CB-CZ 3.57Å; F6-F327 HydrophobicContact CD1-CE1 4.44Å; F6-F327 AromaticContact CD2-CD1 3.41Å; F6-F327 HydrophobicContact CD2-CD1 3.41Å; F6-F327 VanDerWaalsContact CD2-CD1 3.41Å; F6-F327 HydrophobicContact CD2-CD2 4.49Å; F6-F327 AromaticContact CD2-CE1 3.25Å; F6-F327 HydrophobicContact CD2-CE1 3.25Å; F6-F327 HydrophobicContact CD2-CE2 4.38Å; F6-F327 HydrophobicContact CD2-CG 4.03Å; F6-F327 AromaticContact CD2-CZ 3.79Å; F6-F327 HydrophobicContact CD2-CZ 3.79Å; F6-F327 AromaticContact CE2-CD1 3.84Å; F6-F327 HydrophobicContact CE2-CD1 3.84Å; F6-F327 AromaticContact CE2-CE1 3.78Å; F6-F327 HydrophobicContact CE2-CE1 3.78Å; F6-F327 HydrophobicContact CG-CD1 4.23Å; F6-F327 AromaticContact CG-CE1 3.64Å; F6-F327 HydrophobicContact CG-CE1 3.64Å; F6-F327 HydrophobicContact CG-CE2 4.41Å; F6-F327 AromaticContact CG-CZ 3.75Å; F6-F327 HydrophobicContact CG-CZ 3.75Å; V313-F327 HydrophobicContact CB-CB 3.82Å; V313-F327 HydrophobicContact CG2-CB 3.81Å; V313-F327 HydrophobicContact CG2-CD1 3.85Å; V313-F327 HydrophobicContact CG2-CG 4.28Å; V313-F327 PolarHBondContact N-O 2.85Å; V313-F327 PolarHBondContact O-N 3.37Å; L325-F327 VanDerWaalsContact CD1-O 3.31Å; L325-F327 WeakPolarHBondContact CD1-O 3.36Å; F327-R329 HydrophobicContact CD1-CB 4.35Å; F327-R329 HydrophobicContact CE1-CB 3.49Å; F327-R329 VanDerWaalsContact CE1-CB 3.49Å; F327-R329 HydrophobicContact CE1-CG 4.47Å; F327-R329 HydrophobicContact CZ-CB 3.91Å |
| 328 | C | 86.5 | Confident | 84.8 | Confident | 67 Ų | 67 | 53 Ų | 53 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 128.7 | 171.1 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | L311 L312 L325 | L311-C328 WeakPolarHBondContact O-CA 3.5Å; L312-C328 HydrophobicContact CD2-CB 4.19Å; L325-C328 HydrophobicContact CD2-CB 4.35Å |
| 329 | R | 87.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 53.6 Ų | 53.6 | 30% | 0.302 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.3 | 175.6 | -174.6 | 169.8 | -168.9 | 136.5 | 3.5 | 111 | K310 L311 F327 F331 Y356 | K310-R329 WeakPolarHBondContact CA-O 3.41Å; L311-R329 PolarHBondContact N-O 3.27Å; L311-R329 PolarHBondContact O-N 3.19Å; F327-R329 HydrophobicContact CD1-CB 4.35Å; F327-R329 HydrophobicContact CE1-CB 3.49Å; F327-R329 VanDerWaalsContact CE1-CB 3.49Å; F327-R329 HydrophobicContact CE1-CG 4.47Å; F327-R329 HydrophobicContact CZ-CB 3.91Å; R329-F331 HydrophobicContact CB-CE2 4.19Å; R329-F331 HydrophobicContact CG-CE2 3.94Å; R329-F331 HydrophobicContact CG-CZ 4.17Å; R329-Y356 VanDerWaalsContact CZ-CE1 3.43Å; R329-Y356 PolarHBondContact NE-OH 3.26Å |
| 330 | S | 90 | Very high | 85.5 | Confident | 72 Ų | 72 | 53.3 Ų | 53.3 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 142.7 | 174.8 | -43.9 | 0 | 0 | 0 | 0 | 110.4 | C309 K310 | C309-S330 CarbonylContact O-C 2.91Å; C309-S330 WeakPolarHBondContact O-CA 3.5Å; K310-S330 PolarHBondContact NZ-OG 2.79Å |
| 331 | F | 88.9 | Confident | 85.5 | Confident | 23 Ų | 23 | 47.9 Ų | 47.9 | 10% | 0.101 | 27% | 0.271 | C | S | . | . | trans | -119.1 | 170.2 | 172.7 | -68.1 | -91.2 | 0 | 0 | 0 | 109.7 | C309 L311 R329 S333 V335 V347 T349 H354 Y356 | C309-F331 HydrophobicContact CB-CB 4.4Å; C309-F331 WeakPolarHBondContact CB-O 3.43Å; C309-F331 PolarHBondContact O-N 2.76Å; L311-F331 HydrophobicContact CB-CD2 4.38Å; L311-F331 HydrophobicContact CB-CE2 3.66Å; L311-F331 HydrophobicContact CD2-CE2 4.2Å; L311-F331 HydrophobicContact CD2-CZ 4.43Å; R329-F331 HydrophobicContact CB-CE2 4.19Å; R329-F331 HydrophobicContact CG-CE2 3.94Å; R329-F331 HydrophobicContact CG-CZ 4.17Å; F331-S333 VanDerWaalsContact C-N 3.31Å; F331-V335 HydrophobicContact CD2-CG2 3.63Å; F331-V335 HydrophobicContact CE2-CG2 4.12Å; F331-V335 HydrophobicContact CG-CG2 4.2Å; F331-V347 HydrophobicContact CE1-CG1 4.15Å; F331-V347 HydrophobicContact CE2-CG1 4.09Å; F331-V347 HydrophobicContact CZ-CB 4.25Å; F331-V347 HydrophobicContact CZ-CG1 3.73Å; F331-V347 HydrophobicContact CZ-CG2 4.44Å; F331-T349 HydrophobicContact CB-CG2 3.9Å; F331-T349 HydrophobicContact CD1-CG2 3.64Å; F331-T349 HydrophobicContact CE1-CG2 4.33Å; F331-T349 HydrophobicContact CG-CG2 3.79Å; F331-H354 AromaticContact CD1-CD2 3.75Å; F331-H354 AromaticContact CD1-CE1 3.86Å; F331-H354 AromaticContact CD1-NE2 3.53Å; F331-H354 HydrophobicContact CE1-CB 4.2Å; F331-H354 AromaticContact CE1-CD2 3.55Å; F331-H354 AromaticContact CE1-CG 3.65Å; F331-H354 AromaticContact CE1-ND1 3.93Å; F331-H354 AromaticContact CE1-NE2 3.81Å; F331-Y356 VanDerWaalsContact CE1-OH 3.3Å; F331-Y356 WeakPolarHBondContact CE1-OH 3.43Å; F331-Y356 HydrophobicContact CZ-CE2 4.26Å; F331-Y356 WeakPolarHBondContact CZ-OH 3.43Å | ||
| 332 | L | 89.6 | Confident | 85.4 | Confident | 179 Ų | 179 | 49.9 Ų | 49.9 | 94% | 0.937 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -83.7 | -11.1 | 176.6 | -61.9 | 177.8 | 0 | 0 | 0 | 112.6 | ||
| 333 | S | 89.3 | Confident | 85.3 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 5% | 0.049 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -148.1 | 163 | -179.7 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | C309 F331 T349 T351 | C309-S333 WeakPolarHBondContact CA-O 3.36Å; C309-S333 WeakPolarHBondContact CB-O 3.39Å; C309-S333 VanDerWaalsContact SG-CA 3.52Å; F331-S333 VanDerWaalsContact C-N 3.31Å; S333-T349 WeakPolarHBondContact OG-CB 3.36Å; S333-T349 PolarHBondContact OG-OG1 2.86Å; S333-T351 WeakPolarHBondContact CB-OG1 3.02Å; S333-T351 PolarHBondContact OG-N 3.03Å; S333-T351 PolarHBondContact OG-OG1 2.72Å |
| 334 | P | 88.4 | Confident | 85.4 | Confident | 27 Ų | 27 | 45.7 Ų | 45.7 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | trans | -50 | 140 | -179.2 | -31.7 | 36.2 | 0 | 0 | 0 | 113.5 | L284 F307 V336 T349 A350 | L284-P334 HydrophobicContact CD1-CB 3.78Å; F307-P334 HydrophobicContact CD2-CB 4.28Å; F307-P334 HydrophobicContact CD2-CG 4.05Å; F307-P334 HydrophobicContact CE2-CG 4.15Å; F307-P334 HydrophobicContact CG-CG 4.47Å; F307-P334 WeakPolarHBondContact O-CG 3.36Å; P334-V336 PolarHBondContact O-N 3.47Å; P334-T349 CarbonylContact O-C 3.54Å; P334-T349 WeakPolarHBondContact O-CA 2.89Å; P334-T349 WeakPolarHBondContact O-CB 3.27Å; P334-A350 HydrophobicContact CB-CB 4.31Å; P334-A350 HydrophobicContact CG-CB 4.4Å; P334-A350 PolarHBondContact O-N 2.87Å | ||
| 335 | V | 89.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 106.6 | 175 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | G305 T306 K310 F331 V338 V347 T349 | G305-V335 CarbonylContact C-O 3.59Å; T306-V335 PolarHBondContact O-N 2.94Å; K310-V335 WeakPolarHBondContact O-CG2 3.42Å; F331-V335 HydrophobicContact CD2-CG2 3.63Å; F331-V335 HydrophobicContact CE2-CG2 4.12Å; F331-V335 HydrophobicContact CG-CG2 4.2Å; V335-V338 HydrophobicContact CG1-CG2 3.67Å; V335-V347 HydrophobicContact CG1-CG1 3.66Å; V335-V347 HydrophobicContact CG2-CG1 4.31Å; V335-T349 HydrophobicContact CG2-CG2 4.26Å |
| 336 | V | 87.7 | Confident | 86 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -22.1 | -171.5 | -61.3 | 0 | 0 | 0 | 0 | 113.4 | L284 C285 P334 V348 A350 | L284-V336 HydrophobicContact CD1-CG1 4.17Å; C285-V336 WeakPolarHBondContact CB-O 3.17Å; C285-V336 VanDerWaalsContact SG-C 3.52Å; P334-V336 PolarHBondContact O-N 3.47Å; V336-V348 HydrophobicContact CG2-CB 4.36Å; V336-V348 HydrophobicContact CG2-CG1 4.01Å; V336-V348 WeakPolarHBondContact CG2-O 3Å; V336-V348 PolarHBondContact N-O 2.8Å; V336-A350 HydrophobicContact CG1-CB 4.26Å |
| 337 | N | 90.1 | Very high | 86.3 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 146.4 | 173.3 | -166.1 | -89.8 | 0 | 0 | 0 | 110.9 | V23 C285 V348 | V23-N337 HydrophobicContact CB-CB 3.64Å; V23-N337 HydrophobicContact CG1-CB 3.82Å; V23-N337 HydrophobicContact CG2-CB 3.8Å; C285-N337 WeakPolarHBondContact SG-CA 3.34Å; C285-N337 PolarHBondContact SG-N 2.92Å; N337-V348 HydrophobicContact CB-CB 4.14Å; N337-V348 PolarHBondContact N-O 2.95Å; N337-V348 VanDerWaalsContact N-O 3.12Å; N337-V348 PolarHBondContact O-N 3.34Å |
| 338 | V | 90.6 | Very high | 86.5 | Confident | 8 Ų | 8 | 33.6 Ų | 33.6 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 137.9 | 168.8 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | C287 Y303 L311 V335 I345 I346 V347 | C287-V338 HydrophobicContact CB-CB 4.26Å; C287-V338 HydrophobicContact CB-CG1 4.46Å; C287-V338 VanDerWaalsContact CB-O 3.26Å; C287-V338 WeakPolarHBondContact CB-O 3.32Å; Y303-V338 HydrophobicContact CD1-CG1 4.27Å; Y303-V338 HydrophobicContact CG-CG1 4.12Å; L311-V338 HydrophobicContact CD1-CG1 4.44Å; L311-V338 HydrophobicContact CD1-CG2 3.66Å; V335-V338 HydrophobicContact CG1-CG2 3.67Å; V338-I345 HydrophobicContact CG1-CG2 4.04Å; V338-I346 WeakPolarHBondContact CA-O 3.45Å; V338-V347 HydrophobicContact CG1-CG2 4.5Å |
| 339 | S | 89.4 | Confident | 86.7 | Confident | 16 Ų | 16 | 30.5 Ų | 30.5 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138 | 171.3 | 64.6 | 0 | 0 | 0 | 0 | 109.9 | T25 I346 | T25-S339 VanDerWaalsContact CB-OG 3.27Å; T25-S339 WeakPolarHBondContact CB-OG 3.5Å; T25-S339 WeakPolarHBondContact CG2-OG 3.38Å; T25-S339 PolarHBondContact OG1-OG 3.49Å; S339-I346 PolarHBondContact N-O 2.95Å; S339-I346 PolarHBondContact O-N 3.13Å |
| 340 | A | 83 | Confident | 86.7 | Confident | 32 Ų | 32 | 28.3 Ų | 28.3 | 26% | 0.264 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | V289 Q344 M358 | V289-A340 HydrophobicContact CG2-CB 3.39Å; A340-Q344 WeakPolarHBondContact CA-O 3.49Å; A340-M358 HydrophobicContact CB-CE 3.73Å |
| 341 | S | 77.4 | Confident | 86.5 | Confident | 23 Ų | 23 | 26.7 Ų | 26.7 | 16% | 0.161 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 127.8 | 173.1 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | S27 G343 Q344 | S27-S341 PolarHBondContact OG-OG 3.18Å; S341-G343 PolarHBondContact O-N 3.34Å; S341-Q344 PolarHBondContact N-O 2.85Å; S341-Q344 WeakPolarHBondContact O-CA 3.05Å; S341-Q344 WeakPolarHBondContact O-CB 3.33Å; S341-Q344 PolarHBondContact O-N 3.35Å |
| 342 | K | 72.1 | Confident | 86.4 | Confident | 82 Ų | 82 | 25.6 Ų | 25.6 | 36% | 0.357 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 53.9 | 168.1 | -63.1 | 179.6 | -178.6 | 178.2 | 0 | 115.3 | E33 Q344 | E33-K342 HydrophobicContact CB-CD 4.18Å; E33-K342 WeakPolarHBondContact OE1-CE 3.3Å; E33-K342 IonicContact OE1-NZ 3.86Å; E33-K342 PolarHBondContact OE1-NZ 3.41Å; E33-K342 VanDerWaalsContact OE2-CD 3.27Å; E33-K342 WeakPolarHBondContact OE2-CD 3.44Å; E33-K342 WeakPolarHBondContact OE2-CE 3.5Å; E33-K342 IonicContact OE2-NZ 2.74Å; E33-K342 PolarHBondContact OE2-NZ 2.84Å; K342-Q344 PolarHBondContact O-N 3Å |
| 343 | G | 74.3 | Confident | 86.4 | Confident | 24 Ų | 24 | 17 Ų | 17 | 25% | 0.247 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 14.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S341 M358 | S341-G343 PolarHBondContact O-N 3.34Å; G343-M358 WeakPolarHBondContact O-CB 3.45Å; G343-M358 PolarHBondContact O-N 3.17Å |
| 344 | Q | 82.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.7 | 168.7 | -62.3 | 178.9 | -38.9 | 0 | 0 | 110 | P54 A340 S341 K342 V355 Y356 | P54-Q344 VanDerWaalsContact CA-NE2 3.27Å; P54-Q344 HydrophobicContact CB-CG 4.45Å; P54-Q344 PolarHBondContact O-NE2 3.42Å; A340-Q344 WeakPolarHBondContact CA-O 3.49Å; S341-Q344 PolarHBondContact N-O 2.85Å; S341-Q344 WeakPolarHBondContact O-CA 3.05Å; S341-Q344 WeakPolarHBondContact O-CB 3.33Å; S341-Q344 PolarHBondContact O-N 3.35Å; K342-Q344 PolarHBondContact O-N 3Å; Q344-V355 HydrophobicContact CB-CG1 4.2Å; Q344-V355 HydrophobicContact CG-CG1 4.42Å; Q344-Y356 CarbonylContact C-O 3.59Å; Q344-Y356 WeakPolarHBondContact CA-O 3.26Å |
| 345 | I | 87.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.5 | 166.4 | -57.2 | 155.8 | 0 | 0 | 0 | 107.6 | F6 Y303 V338 V347 Y356 M358 | F6-I345 HydrophobicContact CD1-CB 4.41Å; F6-I345 HydrophobicContact CD1-CD1 3.87Å; F6-I345 HydrophobicContact CD2-CD1 3.96Å; F6-I345 HydrophobicContact CE1-CB 3.65Å; F6-I345 HydrophobicContact CE1-CD1 3.69Å; F6-I345 HydrophobicContact CE1-CG1 4.28Å; F6-I345 HydrophobicContact CE1-CG2 3.52Å; F6-I345 HydrophobicContact CE2-CD1 3.81Å; F6-I345 HydrophobicContact CE2-CG2 4.39Å; F6-I345 HydrophobicContact CG-CD1 3.98Å; F6-I345 HydrophobicContact CZ-CB 3.9Å; F6-I345 HydrophobicContact CZ-CD1 3.64Å; F6-I345 HydrophobicContact CZ-CG1 4.3Å; F6-I345 HydrophobicContact CZ-CG2 3.34Å; Y303-I345 HydrophobicContact CD1-CG2 4.38Å; Y303-I345 HydrophobicContact CE1-CD1 3.66Å; Y303-I345 HydrophobicContact CE1-CG1 4.19Å; Y303-I345 HydrophobicContact CE1-CG2 4.27Å; V338-I345 HydrophobicContact CG1-CG2 4.04Å; I345-V347 HydrophobicContact CG2-CG2 4.1Å; I345-Y356 PolarHBondContact N-O 2.99Å; I345-Y356 PolarHBondContact O-N 3.34Å; I345-M358 HydrophobicContact CD1-CE 3.89Å; I345-M358 HydrophobicContact CD1-CG 3.82Å; I345-M358 HydrophobicContact CG1-CE 3.49Å; I345-M358 VanDerWaalsContact CG1-CE 3.49Å; I345-M358 HydrophobicContact CG1-CG 3.65Å; I345-M358 HydrophobicContact CG1-SD 4.29Å |
| 346 | I | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123.7 | 178 | -52.4 | 177.9 | 0 | 0 | 0 | 106.9 | T25 T35 V37 F58 V338 S339 V348 I353 H354 V355 | T25-I346 HydrophobicContact CG2-CD1 3.62Å; T35-I346 HydrophobicContact CG2-CD1 3.68Å; V37-I346 HydrophobicContact CG2-CD1 3.46Å; V37-I346 VanDerWaalsContact CG2-CD1 3.46Å; V37-I346 HydrophobicContact CG2-CG2 3.88Å; F58-I346 HydrophobicContact CZ-CD1 4.45Å; V338-I346 WeakPolarHBondContact CA-O 3.45Å; S339-I346 PolarHBondContact N-O 2.95Å; S339-I346 PolarHBondContact O-N 3.13Å; I346-V348 HydrophobicContact CG2-CG2 4.31Å; I346-I353 HydrophobicContact CG2-CD1 4.05Å; I346-I353 HydrophobicContact CG2-CG1 4.1Å; I346-H354 WeakPolarHBondContact CA-O 3.32Å; I346-V355 HydrophobicContact CG1-CG1 4.29Å; I346-V355 HydrophobicContact CG1-CG2 4.38Å; I346-V355 HydrophobicContact CG2-CG2 4.41Å |
| 347 | V | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.9 | 178.2 | -175 | 0 | 0 | 0 | 0 | 107.2 | F6 L311 F331 V335 V338 I345 H354 Y356 | F6-V347 HydrophobicContact CE1-CG2 4.11Å; F6-V347 HydrophobicContact CZ-CG2 4.16Å; L311-V347 HydrophobicContact CD2-CG1 4.26Å; L311-V347 HydrophobicContact CD2-CG2 3.55Å; F331-V347 HydrophobicContact CE1-CG1 4.15Å; F331-V347 HydrophobicContact CE2-CG1 4.09Å; F331-V347 HydrophobicContact CZ-CB 4.25Å; F331-V347 HydrophobicContact CZ-CG1 3.73Å; F331-V347 HydrophobicContact CZ-CG2 4.44Å; V335-V347 HydrophobicContact CG1-CG1 3.66Å; V335-V347 HydrophobicContact CG2-CG1 4.31Å; V338-V347 HydrophobicContact CG1-CG2 4.5Å; I345-V347 HydrophobicContact CG2-CG2 4.1Å; V347-H354 HydrophobicContact CB-CB 4.31Å; V347-H354 PolarHBondContact N-O 3.44Å; V347-H354 PolarHBondContact O-N 3.33Å; V347-Y356 HydrophobicContact CB-CE2 4.22Å; V347-Y356 HydrophobicContact CG2-CD2 4.03Å; V347-Y356 HydrophobicContact CG2-CE2 3.8Å |
| 348 | V | 91 | Very high | 85.3 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122 | 173.8 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | V23 V37 I39 V336 N337 I346 I353 | V23-V348 HydrophobicContact CG1-CB 4.31Å; V23-V348 HydrophobicContact CG1-CG2 3.72Å; V23-V348 HydrophobicContact CG2-CB 4.23Å; V23-V348 HydrophobicContact CG2-CG1 3.95Å; V23-V348 HydrophobicContact CG2-CG2 4.47Å; V37-V348 HydrophobicContact CG1-CG2 4.39Å; I39-V348 HydrophobicContact CD1-CG1 3.72Å; I39-V348 HydrophobicContact CG1-CG1 4.5Å; V336-V348 HydrophobicContact CG2-CB 4.36Å; V336-V348 HydrophobicContact CG2-CG1 4.01Å; V336-V348 WeakPolarHBondContact CG2-O 3Å; V336-V348 PolarHBondContact N-O 2.8Å; N337-V348 HydrophobicContact CB-CB 4.14Å; N337-V348 PolarHBondContact N-O 2.95Å; N337-V348 VanDerWaalsContact N-O 3.12Å; N337-V348 PolarHBondContact O-N 3.34Å; I346-V348 HydrophobicContact CG2-CG2 4.31Å; V348-I353 HydrophobicContact CG2-CG1 4.26Å |
| 349 | T | 90.7 | Very high | 84.2 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 167.3 | 171.5 | 66.9 | 0 | 0 | 0 | 0 | 109.9 | F331 S333 P334 V335 T351 G352 | F331-T349 HydrophobicContact CB-CG2 3.9Å; F331-T349 HydrophobicContact CD1-CG2 3.64Å; F331-T349 HydrophobicContact CE1-CG2 4.33Å; F331-T349 HydrophobicContact CG-CG2 3.79Å; S333-T349 WeakPolarHBondContact OG-CB 3.36Å; S333-T349 PolarHBondContact OG-OG1 2.86Å; P334-T349 CarbonylContact O-C 3.54Å; P334-T349 WeakPolarHBondContact O-CA 2.89Å; P334-T349 WeakPolarHBondContact O-CB 3.27Å; V335-T349 HydrophobicContact CG2-CG2 4.26Å; T349-T351 PolarHBondContact O-N 2.94Å; T349-G352 PolarHBondContact N-O 2.97Å; T349-G352 PolarHBondContact O-N 2.82Å; T349-G352 PolarHBondContact OG1-N 3.12Å; T349-G352 VanDerWaalsContact OG1-N 3.1Å; T349-G352 PolarHBondContact OG1-O 2.87Å; T349-G352 VanDerWaalsContact OG1-O 3.14Å |
| 350 | A | 86.7 | Confident | 82.9 | Confident | 33 Ų | 33 | 29.9 Ų | 29.9 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -14.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | P334 V336 | P334-A350 HydrophobicContact CB-CB 4.31Å; P334-A350 HydrophobicContact CG-CB 4.4Å; P334-A350 PolarHBondContact O-N 2.87Å; V336-A350 HydrophobicContact CG1-CB 4.26Å |
| 351 | T | 86.5 | Confident | 82.9 | Confident | 38 Ų | 38 | 29.8 Ų | 29.8 | 23% | 0.233 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | 4.9 | -175.9 | 64.9 | 0 | 0 | 0 | 0 | 114.2 | A14 V15 Q17 S333 T349 | A14-T351 WeakPolarHBondContact CA-O 3.39Å; V15-T351 PolarHBondContact N-O 3.35Å; V15-T351 CarbonylContact O-C 3.5Å; Q17-T351 HydrophobicContact CG-CG2 3.59Å; S333-T351 WeakPolarHBondContact CB-OG1 3.02Å; S333-T351 PolarHBondContact OG-N 3.03Å; S333-T351 PolarHBondContact OG-OG1 2.72Å; T349-T351 PolarHBondContact O-N 2.94Å |
| 352 | G | 87.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | 160.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115 | S13 T349 | S13-G352 CarbonylContact O-C 3.58Å; S13-G352 WeakPolarHBondContact O-CA 3.02Å; T349-G352 PolarHBondContact N-O 2.97Å; T349-G352 PolarHBondContact O-N 2.82Å; T349-G352 PolarHBondContact OG1-N 3.12Å; T349-G352 VanDerWaalsContact OG1-N 3.1Å; T349-G352 PolarHBondContact OG1-O 2.87Å; T349-G352 VanDerWaalsContact OG1-O 3.14Å |
| 353 | I | 89 | Confident | 83.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.5 | 170.4 | -176.5 | 169.8 | 0 | 0 | 0 | 108.9 | Y11 H12 S13 V37 F49 I346 V348 V355 | Y11-I353 HydrophobicContact CD1-CG2 4.25Å; Y11-I353 HydrophobicContact CE1-CG2 3.77Å; H12-I353 WeakPolarHBondContact CA-O 3.37Å; S13-I353 PolarHBondContact N-O 3.17Å; S13-I353 PolarHBondContact O-N 2.73Å; V37-I353 HydrophobicContact CB-CD1 3.9Å; V37-I353 HydrophobicContact CG1-CD1 3.84Å; V37-I353 HydrophobicContact CG2-CD1 3.98Å; F49-I353 HydrophobicContact CB-CD1 4.23Å; F49-I353 HydrophobicContact CD1-CG2 4.04Å; F49-I353 HydrophobicContact CD2-CD1 3.94Å; F49-I353 HydrophobicContact CE1-CG2 3.78Å; F49-I353 HydrophobicContact CE2-CG2 4.43Å; F49-I353 HydrophobicContact CG-CD1 3.97Å; F49-I353 HydrophobicContact CG-CG2 4.47Å; F49-I353 HydrophobicContact CZ-CG2 4.02Å; I346-I353 HydrophobicContact CG2-CD1 4.05Å; I346-I353 HydrophobicContact CG2-CG1 4.1Å; V348-I353 HydrophobicContact CG2-CG1 4.26Å; I353-V355 HydrophobicContact CG1-CG2 4.33Å |
| 354 | H | 90.2 | Very high | 84.4 | Confident | 29 Ų | 29 | 27.5 Ų | 27.5 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.7 | 176.8 | -49.9 | -95.3 | 0 | 0 | 0 | 108.6 | H12 F331 I346 V347 Y356 | H12-H354 AromaticContact CD2-CE1 3.27Å; H12-H354 PolarHBondContact CD2-CE1 2.95Å; H12-H354 AromaticContact CD2-ND1 3.36Å; H12-H354 PolarHBondContact CD2-ND1 3.08Å; H12-H354 AromaticContact NE2-CE1 3.68Å; F331-H354 AromaticContact CD1-CD2 3.75Å; F331-H354 AromaticContact CD1-CE1 3.86Å; F331-H354 AromaticContact CD1-NE2 3.53Å; F331-H354 HydrophobicContact CE1-CB 4.2Å; F331-H354 AromaticContact CE1-CD2 3.55Å; F331-H354 AromaticContact CE1-CG 3.65Å; F331-H354 AromaticContact CE1-ND1 3.93Å; F331-H354 AromaticContact CE1-NE2 3.81Å; I346-H354 WeakPolarHBondContact CA-O 3.32Å; V347-H354 HydrophobicContact CB-CB 4.31Å; V347-H354 PolarHBondContact N-O 3.44Å; V347-H354 PolarHBondContact O-N 3.33Å; H354-Y356 HydrophobicContact CB-CD2 4.42Å; H354-Y356 HydrophobicContact CB-CE2 3.53Å |
| 355 | V | 87.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.5 | 177.2 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | I10 Y11 F58 Q344 I346 I353 | I10-V355 PolarHBondContact N-O 2.8Å; Y11-V355 HydrophobicContact CD1-CG2 4.3Å; Y11-V355 PolarHBondContact N-O 2.84Å; Y11-V355 PolarHBondContact O-N 3.13Å; F58-V355 HydrophobicContact CD2-CG2 3.99Å; F58-V355 HydrophobicContact CE2-CB 4.15Å; F58-V355 HydrophobicContact CE2-CG1 3.92Å; F58-V355 HydrophobicContact CE2-CG2 3.62Å; F58-V355 HydrophobicContact CZ-CG2 4.07Å; Q344-V355 HydrophobicContact CB-CG1 4.2Å; Q344-V355 HydrophobicContact CG-CG1 4.42Å; I346-V355 HydrophobicContact CG1-CG1 4.29Å; I346-V355 HydrophobicContact CG1-CG2 4.38Å; I346-V355 HydrophobicContact CG2-CG2 4.41Å; I353-V355 HydrophobicContact CG1-CG2 4.33Å |
| 356 | Y | 85.7 | Confident | 84.3 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.5 | -177.8 | -58.8 | -86 | 0 | 0 | 0 | 110 | F6 P9 R329 F331 Q344 I345 V347 H354 | F6-Y356 AromaticContact CD1-CD1 3.96Å; F6-Y356 HydrophobicContact CD1-CD1 3.96Å; F6-Y356 AromaticContact CD1-CD2 3.71Å; F6-Y356 HydrophobicContact CD1-CD2 3.71Å; F6-Y356 HydrophobicContact CD1-CE2 4.36Å; F6-Y356 AromaticContact CD1-CG 3.45Å; F6-Y356 HydrophobicContact CD1-CG 3.45Å; F6-Y356 VanDerWaalsContact CD1-CG 3.45Å; F6-Y356 HydrophobicContact CE1-CD1 4.47Å; F6-Y356 AromaticContact CE1-CD2 3.39Å; F6-Y356 HydrophobicContact CE1-CD2 3.39Å; F6-Y356 AromaticContact CE1-CE2 3.98Å; F6-Y356 HydrophobicContact CE1-CE2 3.98Å; F6-Y356 AromaticContact CE1-CG 3.66Å; F6-Y356 HydrophobicContact CE1-CG 3.66Å; P9-Y356 HydrophobicContact CB-CD1 3.99Å; P9-Y356 HydrophobicContact CB-CE1 3.75Å; P9-Y356 HydrophobicContact CG-CE1 4.48Å; R329-Y356 VanDerWaalsContact CZ-CE1 3.43Å; R329-Y356 PolarHBondContact NE-OH 3.26Å; F331-Y356 VanDerWaalsContact CE1-OH 3.3Å; F331-Y356 WeakPolarHBondContact CE1-OH 3.43Å; F331-Y356 HydrophobicContact CZ-CE2 4.26Å; F331-Y356 WeakPolarHBondContact CZ-OH 3.43Å; Q344-Y356 CarbonylContact C-O 3.59Å; Q344-Y356 WeakPolarHBondContact CA-O 3.26Å; I345-Y356 PolarHBondContact N-O 2.99Å; I345-Y356 PolarHBondContact O-N 3.34Å; V347-Y356 HydrophobicContact CB-CE2 4.22Å; V347-Y356 HydrophobicContact CG2-CD2 4.03Å; V347-Y356 HydrophobicContact CG2-CE2 3.8Å; H354-Y356 HydrophobicContact CB-CD2 4.42Å; H354-Y356 HydrophobicContact CB-CE2 3.53Å |
| 357 | K | 80.7 | Confident | 83.9 | Confident | 82 Ų | 82 | 33.3 Ų | 33.3 | 36% | 0.357 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 145.9 | 164.9 | -147.5 | 162.6 | 176.1 | 163.6 | 0 | 109.5 | G7 S8 I10 N55 | G7-K357 WeakPolarHBondContact CA-O 3.09Å; G7-K357 PolarHBondContact N-O 3.07Å; S8-K357 PolarHBondContact O-N 3.31Å; I10-K357 HydrophobicContact CD1-CB 3.73Å; I10-K357 HydrophobicContact CD1-CD 4.48Å; I10-K357 HydrophobicContact CD1-CG 4.14Å; I10-K357 HydrophobicContact CG1-CB 4.27Å; N55-K357 PolarHBondContact OD1-NZ 2.93Å |
| 358 | M | 77.2 | Confident | 83.3 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -84.5 | 119.8 | 161.2 | -70.4 | -177 | 140.1 | 0 | 0 | 107.6 | Y303 A340 G343 I345 | Y303-M358 WeakPolarHBondContact OH-CE 3.22Å; A340-M358 HydrophobicContact CB-CE 3.73Å; G343-M358 WeakPolarHBondContact O-CB 3.45Å; G343-M358 PolarHBondContact O-N 3.17Å; I345-M358 HydrophobicContact CD1-CE 3.89Å; I345-M358 HydrophobicContact CD1-CG 3.82Å; I345-M358 HydrophobicContact CG1-CE 3.49Å; I345-M358 VanDerWaalsContact CG1-CE 3.49Å; I345-M358 HydrophobicContact CG1-CG 3.65Å; I345-M358 HydrophobicContact CG1-SD 4.29Å |
| 359 | D | 68.5 | Low | 82.7 | Confident | 82 Ų | 82 | 38.8 Ų | 38.8 | 44% | 0.439 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -83.8 | 139.6 | 169.5 | -73.2 | -9.9 | 0 | 0 | 0 | 109.1 | A4 G7 | A4-D359 WeakPolarHBondContact CA-O 3.25Å; A4-D359 WeakPolarHBondContact CB-O 3.14Å; G7-D359 WeakPolarHBondContact CA-OD1 3.41Å; G7-D359 WeakPolarHBondContact CA-OD2 3.44Å |
| 360 | H | 62.3 | Low | 82 | Confident | 171 Ų | 171 | 42 Ų | 42 | 79% | 0.792 | 21% | 0.214 | S | C | * | . | trans | -106.4 | 0 | -179.5 | -69.1 | -50.6 | 0 | 0 | 0 | 113.2 | K2 | K2-H360 WeakPolarHBondContact CB-OXT 3.17Å; K2-H360 VanDerWaalsContact CD-O 3.27Å; K2-H360 WeakPolarHBondContact CD-O 3.49Å; K2-H360 WeakPolarHBondContact CD-OXT 3.15Å |
Retrieved 360 of 360 residues in 208.2 ms
(Link to these results)