A0A087Y0X6_POEFO Loading...

NF-kappa-B inhibitor-interacting Ras-like protein 2

AlphaFold DB , UniProt , Accession A0A087Y0X6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 192 aa.

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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
1M37.8Very low83Confident242 Ų24252.9 Ų52.9100%1.19229%0.293SS*.  0119.90-79.8163.672.400107.8
2G54Low84.3Confident78 Ų7851 Ų5180%0.80428%0.28SS*.PPolyproline II helixtrans-60.9145.2-179.300000111.6S4G2-S4 PolarHBondContact O-N 3.08Å
3K65.2Low85.3Confident155 Ų15549.8 Ų49.867%0.67428%0.281SS*.PPolyproline II helixtrans-63.2117.2175.5-174-175.9176.3-166.20108.1C5 D80K3-C5 PolarHBondContact O-N 3.2Å; K3-D80 IonicContact NZ-OD1 2.64Å; K3-D80 PolarHBondContact NZ-OD1 3.18Å
4S77.3Confident86Confident27 Ų2750.7 Ų50.719%0.18931%0.307CS..PPolyproline II helixtrans-76.2120.7174.2173.40000109.4G2 R58G2-S4 PolarHBondContact O-N 3.08Å; S4-R58 PolarHBondContact OG-NH1 3.06Å
5C91.9Very high86.7Confident7 Ų747.4 Ų47.45%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-76128.2178.6-64.90000109.8K3 H56 R58 M168K3-C5 PolarHBondContact O-N 3.2Å; C5-H56 PolarHBondContact N-O 3.04Å; C5-R58 PolarHBondContact O-N 3.12Å; C5-M168 HydrophobicContact CB-CE 3.79Å; C5-M168 HydrophobicContact CB-SD 4.14Å
6K95.3Very high87.3Confident73 Ų7345.8 Ų45.832%0.31728%0.283SS..EExtended strand (participates in β ladder)trans-101.2117.9178.5-58.7174.3-164.3174.80109.7Y60 F78 D80 G81K6-Y60 HydrophobicContact CB-CD2 4.47Å; K6-Y60 HydrophobicContact CB-CE2 3.84Å; K6-Y60 HydrophobicContact CD-CE2 4.46Å; K6-Y60 HydrophobicContact CG-CE2 4.05Å; K6-F78 HydrophobicContact CB-CD2 4.09Å; K6-F78 HydrophobicContact CB-CE2 3.94Å; K6-F78 HydrophobicContact CD-CD2 3.5Å; K6-F78 HydrophobicContact CD-CE2 3.88Å; K6-F78 HydrophobicContact CG-CD2 4.42Å; K6-F78 HydrophobicContact CG-CE2 4.44Å; K6-D80 PolarHBondContact N-OD2 3Å; K6-D80 WeakPolarHBondContact O-CA 3.42Å; K6-D80 PolarHBondContact O-N 2.84Å; K6-G81 PolarHBondContact O-N 2.95Å; K6-G81 VanDerWaalsContact O-N 3.16Å
7V97.6Very high87.9Confident0 Ų043.6 Ų43.60%027%0.268CS..EExtended strand (participates in β ladder)trans-115.6127.8-178.9172.90000109.2V9 V57 R58 F59 Y60 G81 V83 L164 M168V7-V9 HydrophobicContact CG1-CG2 4.49Å; V7-V57 HydrophobicContact CB-CG1 4.01Å; V7-V57 HydrophobicContact CG2-CG1 3.49Å; V7-V57 VanDerWaalsContact CG2-CG1 3.49Å; V7-R58 PolarHBondContact N-O 3.04Å; V7-F59 HydrophobicContact CB-CD1 3.76Å; V7-F59 HydrophobicContact CB-CE1 4.06Å; V7-F59 HydrophobicContact CG1-CD1 3.71Å; V7-F59 HydrophobicContact CG1-CE1 3.98Å; V7-F59 HydrophobicContact CG2-CE1 4.36Å; V7-F59 CarbonylContact O-C 3.59Å; V7-F59 WeakPolarHBondContact O-CA 3.48Å; V7-Y60 PolarHBondContact O-N 2.99Å; V7-G81 VanDerWaalsContact CA-O 3.31Å; V7-G81 WeakPolarHBondContact CA-O 3.34Å; V7-V83 HydrophobicContact CG1-CG2 3.68Å; V7-L164 HydrophobicContact CG1-CD2 3.89Å; V7-L164 HydrophobicContact CG2-CD2 3.95Å; V7-M168 HydrophobicContact CG2-CE 3.66Å; V7-M168 HydrophobicContact CG2-SD 3.68Å
8V98.3Very high88.4Confident0 Ų042.8 Ų42.80%026%0.263CS..EExtended strand (participates in β ladder)trans-97127.6174.21770000109.4C10 T62 L71 Y75 F78 A79 G81 F82 V83V8-C10 HydrophobicContact CG1-CB 4.41Å; V8-T62 HydrophobicContact CG1-CG2 3.85Å; V8-L71 HydrophobicContact CG1-CD1 4.49Å; V8-L71 HydrophobicContact CG1-CD2 4.42Å; V8-Y75 HydrophobicContact CB-CD1 4.44Å; V8-Y75 HydrophobicContact CG1-CD1 3.98Å; V8-Y75 HydrophobicContact CG1-CG 4.1Å; V8-Y75 HydrophobicContact CG2-CD1 3.55Å; V8-Y75 HydrophobicContact CG2-CE1 4.43Å; V8-Y75 HydrophobicContact CG2-CG 4.17Å; V8-F78 HydrophobicContact CG2-CZ 4.08Å; V8-A79 HydrophobicContact CG2-CB 3.9Å; V8-G81 PolarHBondContact N-O 2.79Å; V8-F82 HydrophobicContact CB-CD1 3.71Å; V8-F82 HydrophobicContact CB-CE1 3.65Å; V8-F82 HydrophobicContact CG1-CD1 4.09Å; V8-F82 HydrophobicContact CG1-CE1 3.93Å; V8-F82 HydrophobicContact CG2-CE1 4.17Å; V8-F82 WeakPolarHBondContact O-CA 3.44Å; V8-V83 PolarHBondContact O-N 3.02Å
9V98.7Very high88.8Confident0 Ų041.3 Ų41.30%026%0.256CS..EExtended strand (participates in β ladder)trans-104115.7176.1-171.10000108.4V7 K17 L21 F59 Y60 T62 V83 V85V7-V9 HydrophobicContact CG1-CG2 4.49Å; V9-K17 HydrophobicContact CG1-CB 3.91Å; V9-K17 HydrophobicContact CG1-CD 4.39Å; V9-K17 HydrophobicContact CG1-CG 4.14Å; V9-L21 HydrophobicContact CB-CD1 4.44Å; V9-L21 HydrophobicContact CG2-CD1 3.99Å; V9-L21 HydrophobicContact CG2-CD2 4.06Å; V9-L21 HydrophobicContact CG2-CG 4.32Å; V9-F59 HydrophobicContact CG2-CB 4.35Å; V9-F59 HydrophobicContact CG2-CD1 4.23Å; V9-Y60 PolarHBondContact N-O 2.98Å; V9-T62 PolarHBondContact O-N 3.47Å; V9-T62 PolarHBondContact O-OG1 3.4Å; V9-V83 WeakPolarHBondContact CA-O 3.32Å; V9-V83 HydrophobicContact CG1-CB 4.27Å; V9-V83 HydrophobicContact CG1-CG1 4.34Å; V9-V83 HydrophobicContact CG2-CB 4.17Å; V9-V83 HydrophobicContact CG2-CG2 4.47Å; V9-V85 HydrophobicContact CG1-CG2 3.91Å
10C98.5Very high89.2Confident0 Ų039.3 Ų39.30%024%0.243CC..EExtended strand (participates in β ladder)trans-142.3157.3-17463.20000113V8 L71 V83 L84 V85V8-C10 HydrophobicContact CG1-CB 4.41Å; C10-L71 HydrophobicContact CB-CD1 3.98Å; C10-L71 HydrophobicContact CB-CD2 4.4Å; C10-V83 PolarHBondContact N-O 2.73Å; C10-L84 WeakPolarHBondContact O-CA 3.43Å; C10-L84 WeakPolarHBondContact SG-CD2 3.5Å; C10-V85 PolarHBondContact O-N 2.79Å
11G98.4Very high89.6Confident0 Ų037.4 Ų37.40%023%0.232CC..EExtended strand (participates in β ladder)trans161.8174.9-169.700000111.6L65 V85G11-L65 PolarHBondContact O-N 2.97Å; G11-L65 VanDerWaalsContact O-N 3.09Å; G11-V85 WeakPolarHBondContact CA-O 3.45Å
12Q98.3Very high92.3Very high30 Ų3028.6 Ų28.614%0.1419%0.188CC..BIsolated β-bridgetrans-60.9158.4178.9-162178.430.600111.4V15 L65 R96Q12-V15 HydrophobicContact CB-CG1 3.83Å; Q12-V15 VanDerWaalsContact O-CG2 3.23Å; Q12-V15 WeakPolarHBondContact O-CG2 3.28Å; Q12-L65 WeakPolarHBondContact CA-O 3.04Å; Q12-L65 VanDerWaalsContact CG-O 3.28Å; Q12-L65 WeakPolarHBondContact CG-O 3.38Å; Q12-R96 HydrophobicContact CB-CB 4.36Å; Q12-R96 HydrophobicContact CB-CG 4.18Å
13A96.9Very high94.2Very high35 Ų3525.8 Ų25.829%0.28915%0.154SC..THydrogen-bonded Turntrans-57.5140.216800000111.6V15 L65 R66A13-V15 VanDerWaalsContact C-N 3.34Å; A13-V15 PolarHBondContact O-N 2.78Å; A13-L65 PolarHBondContact N-O 3.36Å; A13-L65 VanDerWaalsContact N-O 3.08Å; A13-R66 HydrophobicContact CB-CG 4.08Å
14G95.3Very high95.7Very high63 Ų6318.8 Ų18.865%0.64912%0.124SC*.THydrogen-bonded Turntrans78.43.4176.100000116.9G16 K121G14-G16 VanDerWaalsContact C-N 3.3Å; G14-G16 PolarHBondContact O-N 3.36Å; G14-K121 WeakPolarHBondContact O-CE 3.42Å; G14-K121 PolarHBondContact O-NZ 3.16Å
15V97.3Very high96.5Very high1 Ų119.2 Ų19.21%0.00612%0.123CC..SBendtrans-77.1-13.5178.4-57.40000113.9Q12 A13 K17 V85 N120Q12-V15 HydrophobicContact CB-CG1 3.83Å; Q12-V15 VanDerWaalsContact O-CG2 3.23Å; Q12-V15 WeakPolarHBondContact O-CG2 3.28Å; A13-V15 VanDerWaalsContact C-N 3.34Å; A13-V15 PolarHBondContact O-N 2.78Å; V15-K17 HydrophobicContact CG2-CD 4.47Å; V15-K17 HydrophobicContact CG2-CG 3.77Å; V15-V85 HydrophobicContact CB-CG1 4.17Å; V15-V85 HydrophobicContact CG2-CB 3.86Å; V15-V85 HydrophobicContact CG2-CG1 3.73Å; V15-N120 PolarHBondContact O-ND2 3.34Å
16G96.2Very high96.5Very high21 Ų2124.8 Ų24.822%0.21614%0.144CC..  trans95.133.2176.600000116.1G14 A19 V20G14-G16 VanDerWaalsContact C-N 3.3Å; G14-G16 PolarHBondContact O-N 3.36Å; G16-A19 PolarHBondContact O-N 3.34Å; G16-V20 WeakPolarHBondContact O-CB 3.44Å; G16-V20 VanDerWaalsContact O-CG2 3.26Å; G16-V20 WeakPolarHBondContact O-CG2 3.44Å; G16-V20 PolarHBondContact O-N 2.95Å
17K97.7Very high96.3Very high9 Ų924 Ų244%0.03915%0.152CC..Hα-helixtrans-57-54.5177.8-60.4-176.4-55.6-58.80112.9V9 V15 V20 L21 D61 T62 G64 V85V9-K17 HydrophobicContact CG1-CB 3.91Å; V9-K17 HydrophobicContact CG1-CD 4.39Å; V9-K17 HydrophobicContact CG1-CG 4.14Å; V15-K17 HydrophobicContact CG2-CD 4.47Å; V15-K17 HydrophobicContact CG2-CG 3.77Å; K17-V20 WeakPolarHBondContact O-CB 3.4Å; K17-V20 PolarHBondContact O-N 3.07Å; K17-L21 PolarHBondContact O-N 3.01Å; K17-D61 WeakPolarHBondContact CB-OD1 3.5Å; K17-T62 WeakPolarHBondContact CE-O 3.47Å; K17-G64 VanDerWaalsContact NZ-CA 3.26Å; K17-V85 HydrophobicContact CG-CB 4.08Å; K17-V85 HydrophobicContact CG-CG2 4.1Å
18T96.3Very high95.5Very high29 Ų2927.9 Ų27.918%0.17817%0.172CC..Hα-helixtrans-60.8-48.2177.5-44.10000111.2V20 L21 E22 T38 Y43 D61T18-V20 VanDerWaalsContact C-N 3.29Å; T18-V20 PolarHBondContact O-N 3.21Å; T18-L21 PolarHBondContact O-N 2.87Å; T18-E22 HydrophobicContact CG2-CG 4.29Å; T18-E22 WeakPolarHBondContact O-CB 3.27Å; T18-E22 WeakPolarHBondContact O-CG 3.47Å; T18-E22 PolarHBondContact O-N 3.38Å; T18-T38 PolarHBondContact OG1-OG1 3.03Å; T18-Y43 VanDerWaalsContact CG2-OH 3.28Å; T18-Y43 WeakPolarHBondContact CG2-OH 3.49Å; T18-D61 WeakPolarHBondContact CA-OD2 3.36Å; T18-D61 VanDerWaalsContact CB-OD2 3.28Å; T18-D61 WeakPolarHBondContact CB-OD2 3.23Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.48Å; T18-D61 PolarHBondContact OG1-OD2 3.4Å
19A95.7Very high94.4Very high15 Ų1529.8 Ų29.812%0.12418%0.181CC..Hα-helixtrans-58.6-38.3177.600000113G16 Q23 V151G16-A19 PolarHBondContact O-N 3.34Å; A19-Q23 WeakPolarHBondContact O-CB 3.46Å; A19-Q23 PolarHBondContact O-N 3.23Å; A19-V151 HydrophobicContact CB-CB 4.47Å; A19-V151 HydrophobicContact CB-CG1 3.97Å
20V97.4Very high93.2Very high0 Ų034.6 Ų34.60%021%0.21CC..Hα-helixtrans-61.2-46.2173.6160.70000111G16 K17 T18 L24 L118 V151 L157 F161G16-V20 WeakPolarHBondContact O-CB 3.44Å; G16-V20 VanDerWaalsContact O-CG2 3.26Å; G16-V20 WeakPolarHBondContact O-CG2 3.44Å; G16-V20 PolarHBondContact O-N 2.95Å; K17-V20 WeakPolarHBondContact O-CB 3.4Å; K17-V20 PolarHBondContact O-N 3.07Å; T18-V20 VanDerWaalsContact C-N 3.29Å; T18-V20 PolarHBondContact O-N 3.21Å; V20-L24 WeakPolarHBondContact O-CB 3.25Å; V20-L24 PolarHBondContact O-N 3.36Å; V20-L118 HydrophobicContact CG1-CD1 3.9Å; V20-V151 HydrophobicContact CB-CG1 4.37Å; V20-V151 HydrophobicContact CG2-CG1 3.64Å; V20-L157 HydrophobicContact CG1-CD2 4.17Å; V20-L157 HydrophobicContact CG2-CD2 4.19Å; V20-F161 HydrophobicContact CG1-CE2 3.82Å; V20-F161 HydrophobicContact CG1-CZ 3.67Å
21L96.7Very high91.8Very high0 Ų037.8 Ų37.80%024%0.236CC..Hα-helixtrans-67.7-48.7-179.6-70.1177.4000112.2V9 K17 T18 Q23 L24 L25 Y43 F59 D61 F161V9-L21 HydrophobicContact CB-CD1 4.44Å; V9-L21 HydrophobicContact CG2-CD1 3.99Å; V9-L21 HydrophobicContact CG2-CD2 4.06Å; V9-L21 HydrophobicContact CG2-CG 4.32Å; K17-L21 PolarHBondContact O-N 3.01Å; T18-L21 PolarHBondContact O-N 2.87Å; L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 2.62Å; L21-L24 PolarHBondContact O-N 3.25Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 VanDerWaalsContact O-CG 3.22Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3.2Å; L21-Y43 HydrophobicContact CB-CD2 4.41Å; L21-Y43 HydrophobicContact CB-CG 4.4Å; L21-Y43 HydrophobicContact CD1-CD2 3.75Å; L21-Y43 HydrophobicContact CD1-CE2 4.22Å; L21-Y43 HydrophobicContact CD1-CG 4.33Å; L21-F59 HydrophobicContact CD1-CB 3.97Å; L21-F59 HydrophobicContact CD2-CB 3.74Å; L21-F59 HydrophobicContact CD2-CD1 3.82Å; L21-F59 HydrophobicContact CD2-CD2 4.14Å; L21-F59 HydrophobicContact CD2-CE1 4.47Å; L21-F59 HydrophobicContact CD2-CG 3.63Å; L21-D61 HydrophobicContact CD1-CB 3.72Å; L21-F161 HydrophobicContact CD2-CE1 4.25Å; L21-F161 HydrophobicContact CD2-CZ 4.47Å
22E94.8Very high90.2Very high58 Ų5841.7 Ų41.727%0.27128%0.277SS..Hα-helixtrans-60.2-45.6179.1-73.3-177160.100111.3T18 L25 Y26 A27 N28 Y43T18-E22 HydrophobicContact CG2-CG 4.29Å; T18-E22 WeakPolarHBondContact O-CB 3.27Å; T18-E22 WeakPolarHBondContact O-CG 3.47Å; T18-E22 PolarHBondContact O-N 3.38Å; E22-L25 PolarHBondContact O-N 3.43Å; E22-Y26 WeakPolarHBondContact O-CA 3.48Å; E22-Y26 WeakPolarHBondContact O-CB 3.42Å; E22-Y26 PolarHBondContact O-N 2.91Å; E22-A27 PolarHBondContact O-N 2.9Å; E22-N28 WeakPolarHBondContact CB-OD1 3.44Å; E22-N28 PolarHBondContact O-OD1 2.8Å; E22-N28 VanDerWaalsContact O-OD1 3.11Å; E22-Y43 HydrophobicContact CG-CE1 3.82Å; E22-Y43 PolarHBondContact OE1-OH 3.49Å
23Q95.4Very high89Confident18 Ų1843.1 Ų43.18%0.08429%0.291CS..Hα-helixtrans-66.5-41.9178.3-173.568.4-27.400112.7A19 L21 A27 H29 V151 R154 L157A19-Q23 WeakPolarHBondContact O-CB 3.46Å; A19-Q23 PolarHBondContact O-N 3.23Å; L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 2.62Å; Q23-A27 WeakPolarHBondContact O-CA 3.42Å; Q23-A27 PolarHBondContact O-N 3.03Å; Q23-H29 HydrophobicContact CB-CB 3.78Å; Q23-H29 HydrophobicContact CG-CB 4.28Å; Q23-V151 VanDerWaalsContact CG-O 3.23Å; Q23-V151 WeakPolarHBondContact CG-O 3.26Å; Q23-V151 PolarHBondContact NE2-O 3.39Å; Q23-R154 HydrophobicContact CG-CB 3.99Å; Q23-R154 HydrophobicContact CG-CG 4.17Å; Q23-R154 VanDerWaalsContact O-CD 3.25Å; Q23-R154 WeakPolarHBondContact O-CD 3.42Å; Q23-R154 PolarHBondContact O-NE 3.03Å; Q23-L157 HydrophobicContact CB-CD1 3.85Å; Q23-L157 HydrophobicContact CG-CD1 3.8Å
24L95.9Very high87.7Confident9 Ų949.4 Ų49.45%0.04732%0.319CS..Hα-helixtrans-60.1-50.3177176.470.8000110.9V20 L21 I47 R154 L157 I158 F161V20-L24 WeakPolarHBondContact O-CB 3.25Å; V20-L24 PolarHBondContact O-N 3.36Å; L21-L24 PolarHBondContact O-N 3.25Å; L24-I47 HydrophobicContact CD2-CD1 4.33Å; L24-R154 PolarHBondContact O-NE 3.08Å; L24-R154 PolarHBondContact O-NH2 3.14Å; L24-L157 HydrophobicContact CB-CD1 4.44Å; L24-L157 HydrophobicContact CD1-CB 4.08Å; L24-I158 HydrophobicContact CD1-CD1 4.1Å; L24-F161 HydrophobicContact CD1-CB 4.33Å; L24-F161 HydrophobicContact CD1-CD2 4.23Å; L24-F161 HydrophobicContact CD1-CG 4.3Å; L24-F161 HydrophobicContact CD2-CB 3.92Å; L24-F161 HydrophobicContact CD2-CD1 3.31Å; L24-F161 HydrophobicContact CD2-CD2 3.68Å; L24-F161 HydrophobicContact CD2-CE1 3.58Å; L24-F161 HydrophobicContact CD2-CE2 3.9Å; L24-F161 HydrophobicContact CD2-CG 3.35Å; L24-F161 HydrophobicContact CD2-CZ 3.85Å; L24-F161 HydrophobicContact CG-CG 4.46Å
25L94.3Very high86.7Confident35 Ų3551 Ų5118%0.18333%0.327CS..Hα-helixtrans-84.6-37.2-167.6-62.6178.8000113.6L21 E22 Y43 G45 I47 F59L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 VanDerWaalsContact O-CG 3.22Å; L21-L25 WeakPolarHBondContact O-CG 3.49Å; L21-L25 PolarHBondContact O-N 3.2Å; E22-L25 PolarHBondContact O-N 3.43Å; L25-Y43 HydrophobicContact CD1-CD1 4.2Å; L25-Y43 HydrophobicContact CD1-CG 4.28Å; L25-G45 VanDerWaalsContact CD2-CA 3.49Å; L25-I47 HydrophobicContact CD2-CD1 4.44Å; L25-F59 HydrophobicContact CD1-CD2 4.35Å; L25-F59 HydrophobicContact CD2-CE2 4.33Å
26Y92.4Very high86Confident124 Ų12459.5 Ų59.549%0.48637%0.368SS..Hα-helixtrans-121.8-9.9-169.4-49.9-52.7000113.9E22 N28 Y43E22-Y26 WeakPolarHBondContact O-CA 3.48Å; E22-Y26 WeakPolarHBondContact O-CB 3.42Å; E22-Y26 PolarHBondContact O-N 2.91Å; Y26-N28 PolarHBondContact O-N 3.41Å; Y26-Y43 AromaticContact CE2-CD1 3.74Å; Y26-Y43 HydrophobicContact CE2-CD1 3.74Å; Y26-Y43 AromaticContact CE2-CE1 3.93Å; Y26-Y43 HydrophobicContact CE2-CE1 3.93Å
27A89.9Confident85.8Confident57 Ų5763.2 Ų63.247%0.47138%0.38SS..SBendtrans51.835.9-17500000112.7E22 Q23E22-A27 PolarHBondContact O-N 2.9Å; Q23-A27 WeakPolarHBondContact O-CA 3.42Å; Q23-A27 PolarHBondContact O-N 3.03Å
28N80.5Confident85.5Confident81 Ų8164 Ų6443%0.43339%0.386SS..  trans-112.94.2-171.469.2-17.6000113.2E22 Y26 V30E22-N28 WeakPolarHBondContact CB-OD1 3.44Å; E22-N28 PolarHBondContact O-OD1 2.8Å; E22-N28 VanDerWaalsContact O-OD1 3.11Å; Y26-N28 PolarHBondContact O-N 3.41Å; N28-V30 PolarHBondContact O-N 3.02Å
29H76.3Confident85.3Confident41 Ų4169.1 Ų69.119%0.1941%0.411CS..PPolyproline II helixtrans-74.8122.2179.2-175.366.6000110Q23Q23-H29 HydrophobicContact CB-CB 3.78Å; Q23-H29 HydrophobicContact CG-CB 4.28Å
30V74.1Confident85.1Confident101 Ų10173.3 Ų73.361%0.61243%0.428SS*.PPolyproline II helixtrans-98.2116.5174.9-1780000108.1N28 G32 S33N28-V30 PolarHBondContact O-N 3.02Å; V30-G32 PolarHBondContact O-N 3.32Å; V30-S33 WeakPolarHBondContact O-CB 3.32Å; V30-S33 PolarHBondContact O-N 3.49Å; V30-S33 PolarHBondContact O-OG 3.37Å; V30-S33 VanDerWaalsContact O-OG 3.07Å
31A67.9Low85.1Confident66 Ų6677.3 Ų77.355%0.54545%0.45SS..THydrogen-bonded Turntrans-56.5126.7176.900000110.4V152A31-V152 HydrophobicContact CB-CG2 4.07Å
32G66Low85.1Confident83 Ų8381.1 Ų81.186%0.85647%0.469SS*.THydrogen-bonded Turntrans85.16.2-178.200000115.5V30V30-G32 PolarHBondContact O-N 3.32Å
33S71.4Confident85.2Confident60 Ų6079.3 Ų79.342%0.4246%0.46SS..PPolyproline II helixtrans-66.114417064.40000111.5V30 A35V30-S33 WeakPolarHBondContact O-CB 3.32Å; V30-S33 PolarHBondContact O-N 3.49Å; V30-S33 PolarHBondContact O-OG 3.37Å; V30-S33 VanDerWaalsContact O-OG 3.07Å; S33-A35 PolarHBondContact O-N 3.08Å
34D70.4Confident85.2Confident166 Ų16683.1 Ų83.189%0.88848%0.48SS*.PPolyproline II helixtrans-56.9121.4171.7-71.5-34.6000110.3
35A73.4Confident85Confident98 Ų9882.9 Ų82.981%0.8148%0.479SS*.PPolyproline II helixtrans-92.2117.8177.800000109.5S33S33-A35 PolarHBondContact O-N 3.08Å
36M84.1Confident84.9Confident178 Ų17884.1 Ų84.188%0.87749%0.491SS*.PPolyproline II helixtrans-74.4146.9169.4-64.7-175.768.600110.3T38M36-T38 PolarHBondContact O-N 2.64Å
37E90.8Very high85Confident100 Ų10079 Ų7947%0.46747%0.471SS..PPolyproline II helixtrans-70120.9174.5-178.8166.3-172.500110.3R66E37-R66 IonicContact OE1-CZ 2.69Å; E37-R66 IonicContact OE1-NE 2.73Å; E37-R66 IonicContact OE1-NH2 3.08Å; E37-R66 PolarHBondContact OE1-NH2 3.31Å; E37-R66 IonicContact OE2-CZ 3.5Å; E37-R66 IonicContact OE2-NH2 3.52Å; E37-R66 PolarHBondContact OE2-NH2 3.19Å
38T92.1Very high85.1Confident25 Ų2580.9 Ų80.915%0.15347%0.471CS..PPolyproline II helixtrans-67.7132.6174.1-38.30000110.7T18 M36 D61 R63T18-T38 PolarHBondContact OG1-OG1 3.03Å; M36-T38 PolarHBondContact O-N 2.64Å; T38-D61 WeakPolarHBondContact CG2-OD2 3.31Å; T38-R63 VanDerWaalsContact O-CA 3.26Å; T38-R63 WeakPolarHBondContact O-CA 3.28Å; T38-R63 VanDerWaalsContact O-CB 3.26Å; T38-R63 WeakPolarHBondContact O-CB 3.44Å; T38-R63 VanDerWaalsContact O-CG 3.22Å; T38-R63 WeakPolarHBondContact O-CG 3.48Å
39L91.3Very high85.6Confident137 Ų13777.3 Ų77.372%0.71745%0.452SS*.  trans-88.4-66.1165.3-65.1178.3000109.8R63L39-R63 VanDerWaalsContact O-CB 3.31Å; L39-R63 WeakPolarHBondContact O-CB 3.35Å; L39-R63 PolarHBondContact O-N 3.32Å; L39-R63 VanDerWaalsContact O-N 3.13Å
40E92.4Very high86.1Confident103 Ų10381 Ų8148%0.48147%0.473SS..EExtended strand (participates in β ladder)trans-163.2138.9170.8-177.9174.7-168.800107.5D61 Y75E40-D61 WeakPolarHBondContact CA-O 3.43Å; E40-Y75 PolarHBondContact OE1-OH 2.97Å
41D96.1Very high86.8Confident84 Ų8481.5 Ų81.545%0.44946%0.464SS..EExtended strand (participates in β ladder)trans-146.3161173.5-152-14.4000111.3Y43 D61D41-Y43 HydrophobicContact CB-CE2 3.97Å; D41-D61 PolarHBondContact N-O 3.42Å; D41-D61 PolarHBondContact O-N 3.4Å
42I97.1Very high87.6Confident79 Ų7980.8 Ų80.841%0.40546%0.463SS..EExtended strand (participates in β ladder)trans-123.3113.3178.5-57.6176.1000110R58 F59 Y60I42-R58 HydrophobicContact CG2-CB 4.42Å; I42-F59 CarbonylContact C-O 3.42Å; I42-F59 WeakPolarHBondContact CA-O 3.3Å; I42-Y60 HydrophobicContact CD1-CD1 4.05Å; I42-Y60 HydrophobicContact CD1-CE1 3.65Å; I42-Y60 HydrophobicContact CG1-CD1 3.95Å; I42-Y60 HydrophobicContact CG1-CE1 4.06Å
43Y96.6Very high88.7Confident21 Ų2180 Ų808%0.08244%0.442CS..EExtended strand (participates in β ladder)trans-98.1138.9173.5-63.9-99.9000110.6T18 L21 E22 L25 Y26 D41 R58 F59 D61T18-Y43 VanDerWaalsContact CG2-OH 3.28Å; T18-Y43 WeakPolarHBondContact CG2-OH 3.49Å; L21-Y43 HydrophobicContact CB-CD2 4.41Å; L21-Y43 HydrophobicContact CB-CG 4.4Å; L21-Y43 HydrophobicContact CD1-CD2 3.75Å; L21-Y43 HydrophobicContact CD1-CE2 4.22Å; L21-Y43 HydrophobicContact CD1-CG 4.33Å; E22-Y43 HydrophobicContact CG-CE1 3.82Å; E22-Y43 PolarHBondContact OE1-OH 3.49Å; L25-Y43 HydrophobicContact CD1-CD1 4.2Å; L25-Y43 HydrophobicContact CD1-CG 4.28Å; Y26-Y43 AromaticContact CE2-CD1 3.74Å; Y26-Y43 HydrophobicContact CE2-CD1 3.74Å; Y26-Y43 AromaticContact CE2-CE1 3.93Å; Y26-Y43 HydrophobicContact CE2-CE1 3.93Å; D41-Y43 HydrophobicContact CB-CE2 3.97Å; Y43-R58 WeakPolarHBondContact O-CA 3.5Å; Y43-F59 PolarHBondContact N-O 3.29Å; Y43-F59 PolarHBondContact O-N 2.97Å; Y43-D61 HydrophobicContact CD2-CB 4.05Å; Y43-D61 HydrophobicContact CE2-CB 3.86Å
44I95.4Very high89.6Confident98 Ų9885 Ų8550%0.50345%0.451SS..EExtended strand (participates in β ladder)trans-111.8116.1176.7-53.3-175.4000109R58I44-R58 HydrophobicContact CG1-CG 4.3Å
45G92.4Very high90.6Very high3 Ų378.8 Ų78.83%0.03142%0.417CS..EExtended strand (participates in β ladder)trans-110.9148.5176.900000112.7L25 H56 V57L25-G45 VanDerWaalsContact CD2-CA 3.49Å; G45-H56 WeakPolarHBondContact O-CA 3.4Å; G45-V57 PolarHBondContact N-O 3.44Å; G45-V57 PolarHBondContact O-N 3.16Å
46S93.1Very high91.5Very high61 Ų6179.9 Ų79.943%0.42741%0.405SS..EExtended strand (participates in β ladder)trans-108.4106.2165-172.80000107.7E55S46-E55 WeakPolarHBondContact CA-O 3.31Å
47I93.3Very high92.1Very high16 Ų1671.5 Ų71.58%0.08236%0.364CS..EExtended strand (participates in β ladder)trans-103.6122.7-176.4-52.8-59.1000108.7L24 L25 R54 E55 V57 F59 V162 A165L24-I47 HydrophobicContact CD2-CD1 4.33Å; L25-I47 HydrophobicContact CD2-CD1 4.44Å; I47-R54 WeakPolarHBondContact O-CA 3.27Å; I47-E55 PolarHBondContact N-O 2.96Å; I47-E55 PolarHBondContact O-N 3.34Å; I47-V57 HydrophobicContact CG1-CG2 4.23Å; I47-F59 HydrophobicContact CG1-CZ 4.47Å; I47-V162 HydrophobicContact CG2-CG2 4.32Å; I47-A165 HydrophobicContact CB-CB 4.06Å; I47-A165 HydrophobicContact CG2-CB 3.85Å
48E92.1Very high92.4Very high97 Ų9771.5 Ų71.545%0.45336%0.36SS..EExtended strand (participates in β ladder)trans-80.3119.6173.5-163.8164.4145.100109.7R54 V162E48-R54 HydrophobicContact CB-CG 4.16Å; E48-R54 HydrophobicContact CG-CG 4.15Å; E48-R54 IonicContact OE2-CZ 3.45Å; E48-R54 IonicContact OE2-NE 2.85Å; E48-R54 PolarHBondContact OE2-NE 2.81Å; E48-R54 IonicContact OE2-NH2 3.47Å; E48-R54 PolarHBondContact OE2-NH2 3.46Å; E48-R54 VanDerWaalsContact OE2-NH2 3.08Å; E48-V162 WeakPolarHBondContact O-CG2 3.43Å
49T90.8Very high92.7Very high7 Ų770.4 Ų70.44%0.04335%0.353CS..PPolyproline II helixtrans-75.3162.8178.158.50000111.2R51 G52 T53 E55 A165 S166T49-R51 PolarHBondContact O-N 2.81Å; T49-G52 PolarHBondContact O-N 3.16Å; T49-T53 WeakPolarHBondContact CB-O 3.13Å; T49-T53 PolarHBondContact N-O 2.86Å; T49-T53 WeakPolarHBondContact OG1-CB 3.39Å; T49-T53 PolarHBondContact OG1-N 3.34Å; T49-T53 PolarHBondContact OG1-O 3.1Å; T49-E55 HydrophobicContact CG2-CG 3.75Å; T49-A165 HydrophobicContact CG2-CB 4.03Å; T49-S166 VanDerWaalsContact CB-OG 3.28Å; T49-S166 WeakPolarHBondContact CB-OG 3.32Å
50D88.1Confident93Very high117 Ų11765.6 Ų65.663%0.62633%0.325SS*.THydrogen-bonded Turntrans-54.5-18.5169.460.5-20000114.4V162 S166D50-V162 HydrophobicContact CB-CG1 4.46Å; D50-S166 WeakPolarHBondContact OD1-CB 3.18Å; D50-S166 PolarHBondContact OD1-OG 2.96Å
51R87.6Confident93.2Very high112 Ų11260.7 Ų60.742%0.42330%0.302SS..THydrogen-bonded Turntrans-89.23.8175.7-63175.8-72.3170.41.9113.6T49 T53 T169T49-R51 PolarHBondContact O-N 2.81Å; R51-T53 PolarHBondContact O-N 3.34Å; R51-T169 PolarHBondContact NH2-O 3.32Å; R51-T169 PolarHBondContact NH2-OG1 2.82Å
52G85.6Confident93.3Very high51 Ų5156.9 Ų56.953%0.52628%0.282SS..SBendtrans72.69.8-175.200000114.4T49T49-G52 PolarHBondContact O-N 3.16Å
53T88.8Confident93.3Very high68 Ų6857.9 Ų57.942%0.41728%0.281SS..  trans-91.8134.5176.4-56.40000109.9T49 R51T49-T53 WeakPolarHBondContact CB-O 3.13Å; T49-T53 PolarHBondContact N-O 2.86Å; T49-T53 WeakPolarHBondContact OG1-CB 3.39Å; T49-T53 PolarHBondContact OG1-N 3.34Å; T49-T53 PolarHBondContact OG1-O 3.1Å; R51-T53 PolarHBondContact O-N 3.34Å
54R90.4Very high93.2Very high164 Ų16457.1 Ų57.162%0.61928%0.279SS*.EExtended strand (participates in β ladder)trans-92.3123.5175.2-72.3-174.1175178.9-2.1111.6I47 E48I47-R54 WeakPolarHBondContact O-CA 3.27Å; E48-R54 HydrophobicContact CB-CG 4.16Å; E48-R54 HydrophobicContact CG-CG 4.15Å; E48-R54 IonicContact OE2-CZ 3.45Å; E48-R54 IonicContact OE2-NE 2.85Å; E48-R54 PolarHBondContact OE2-NE 2.81Å; E48-R54 IonicContact OE2-NH2 3.47Å; E48-R54 PolarHBondContact OE2-NH2 3.46Å; E48-R54 VanDerWaalsContact OE2-NH2 3.08Å
55E91.1Very high93.2Very high36 Ų3652.8 Ų52.817%0.16826%0.257CS..EExtended strand (participates in β ladder)trans-108.6130.3-179.7-60.9-66.3-17900110.8S46 I47 T49 V57 A165 T169S46-E55 WeakPolarHBondContact CA-O 3.31Å; I47-E55 PolarHBondContact N-O 2.96Å; I47-E55 PolarHBondContact O-N 3.34Å; T49-E55 HydrophobicContact CG2-CG 3.75Å; E55-V57 PolarHBondContact O-N 3.42Å; E55-A165 HydrophobicContact CB-CB 4.44Å; E55-T169 HydrophobicContact CG-CG2 3.84Å; E55-T169 WeakPolarHBondContact OE1-CB 3.28Å; E55-T169 WeakPolarHBondContact OE1-CG2 3.41Å; E55-T169 PolarHBondContact OE1-OG1 3.45Å
56H92.8Very high93.3Very high121 Ų12158.8 Ų58.856%0.5628%0.279SS*.EExtended strand (participates in β ladder)trans-85.1111.1173.7-69.9-76.3000110.3C5 G45C5-H56 PolarHBondContact N-O 3.04Å; G45-H56 WeakPolarHBondContact O-CA 3.4Å
57V95.6Very high93.2Very high2 Ų262.1 Ų62.11%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-109.4130.6-178.7-172.20000109.4V7 G45 I47 E55 F59 M168V7-V57 HydrophobicContact CB-CG1 4.01Å; V7-V57 HydrophobicContact CG2-CG1 3.49Å; V7-V57 VanDerWaalsContact CG2-CG1 3.49Å; G45-V57 PolarHBondContact N-O 3.44Å; G45-V57 PolarHBondContact O-N 3.16Å; I47-V57 HydrophobicContact CG1-CG2 4.23Å; E55-V57 PolarHBondContact O-N 3.42Å; V57-F59 HydrophobicContact CB-CD2 4.44Å; V57-F59 HydrophobicContact CB-CE1 4.39Å; V57-F59 HydrophobicContact CB-CE2 3.74Å; V57-F59 HydrophobicContact CB-CZ 3.72Å; V57-F59 HydrophobicContact CG1-CD1 4.06Å; V57-F59 HydrophobicContact CG1-CD2 4.19Å; V57-F59 HydrophobicContact CG1-CE1 3.58Å; V57-F59 HydrophobicContact CG1-CE2 3.74Å; V57-F59 HydrophobicContact CG1-CG 4.34Å; V57-F59 HydrophobicContact CG1-CZ 3.41Å; V57-F59 VanDerWaalsContact CG1-CZ 3.41Å; V57-F59 HydrophobicContact CG2-CZ 4.45Å; V57-M168 HydrophobicContact CG1-CE 4.43Å; V57-M168 HydrophobicContact CG2-CE 4.39Å
58R97.2Very high93Very high99 Ų9965.3 Ų65.337%0.37433%0.329SS..EExtended strand (participates in β ladder)trans-98.2112.8169.5-70.7-174.7176.2112.6-5.7108.6S4 C5 V7 I42 Y43 I44 Y60S4-R58 PolarHBondContact OG-NH1 3.06Å; C5-R58 PolarHBondContact O-N 3.12Å; V7-R58 PolarHBondContact N-O 3.04Å; I42-R58 HydrophobicContact CG2-CB 4.42Å; Y43-R58 WeakPolarHBondContact O-CA 3.5Å; I44-R58 HydrophobicContact CG1-CG 4.3Å; R58-Y60 HydrophobicContact CB-CE2 4.1Å
59F98.1Very high93.1Very high2 Ų263.2 Ų63.21%0.00932%0.32CS..EExtended strand (participates in β ladder)trans-93.8118.8176-59-81.7000109.1V7 V9 L21 L25 I42 Y43 I47 V57 D61 F161 L164V7-F59 HydrophobicContact CB-CD1 3.76Å; V7-F59 HydrophobicContact CB-CE1 4.06Å; V7-F59 HydrophobicContact CG1-CD1 3.71Å; V7-F59 HydrophobicContact CG1-CE1 3.98Å; V7-F59 HydrophobicContact CG2-CE1 4.36Å; V7-F59 CarbonylContact O-C 3.59Å; V7-F59 WeakPolarHBondContact O-CA 3.48Å; V9-F59 HydrophobicContact CG2-CB 4.35Å; V9-F59 HydrophobicContact CG2-CD1 4.23Å; L21-F59 HydrophobicContact CD1-CB 3.97Å; L21-F59 HydrophobicContact CD2-CB 3.74Å; L21-F59 HydrophobicContact CD2-CD1 3.82Å; L21-F59 HydrophobicContact CD2-CD2 4.14Å; L21-F59 HydrophobicContact CD2-CE1 4.47Å; L21-F59 HydrophobicContact CD2-CG 3.63Å; L25-F59 HydrophobicContact CD1-CD2 4.35Å; L25-F59 HydrophobicContact CD2-CE2 4.33Å; I42-F59 CarbonylContact C-O 3.42Å; I42-F59 WeakPolarHBondContact CA-O 3.3Å; Y43-F59 PolarHBondContact N-O 3.29Å; Y43-F59 PolarHBondContact O-N 2.97Å; I47-F59 HydrophobicContact CG1-CZ 4.47Å; V57-F59 HydrophobicContact CB-CD2 4.44Å; V57-F59 HydrophobicContact CB-CE1 4.39Å; V57-F59 HydrophobicContact CB-CE2 3.74Å; V57-F59 HydrophobicContact CB-CZ 3.72Å; V57-F59 HydrophobicContact CG1-CD1 4.06Å; V57-F59 HydrophobicContact CG1-CD2 4.19Å; V57-F59 HydrophobicContact CG1-CE1 3.58Å; V57-F59 HydrophobicContact CG1-CE2 3.74Å; V57-F59 HydrophobicContact CG1-CG 4.34Å; V57-F59 HydrophobicContact CG1-CZ 3.41Å; V57-F59 VanDerWaalsContact CG1-CZ 3.41Å; V57-F59 HydrophobicContact CG2-CZ 4.45Å; F59-D61 PolarHBondContact O-N 3Å; F59-F161 HydrophobicContact CD1-CE1 4.21Å; F59-F161 AromaticContact CE1-CD1 3.65Å; F59-F161 HydrophobicContact CE1-CD1 3.65Å; F59-F161 AromaticContact CE1-CE1 3.55Å; F59-F161 HydrophobicContact CE1-CE1 3.55Å; F59-F161 AromaticContact CZ-CD1 3.75Å; F59-F161 HydrophobicContact CZ-CD1 3.75Å; F59-F161 HydrophobicContact CZ-CE1 4Å; F59-L164 HydrophobicContact CE1-CD2 4.44Å
60Y98.1Very high93.3Very high36 Ų3669.7 Ų69.714%0.14135%0.349CS..EExtended strand (participates in β ladder)trans-89.3100.5171.8-67.4-103.2000107K6 V7 V9 I42 R58 Y75 F78K6-Y60 HydrophobicContact CB-CD2 4.47Å; K6-Y60 HydrophobicContact CB-CE2 3.84Å; K6-Y60 HydrophobicContact CD-CE2 4.46Å; K6-Y60 HydrophobicContact CG-CE2 4.05Å; V7-Y60 PolarHBondContact O-N 2.99Å; V9-Y60 PolarHBondContact N-O 2.98Å; I42-Y60 HydrophobicContact CD1-CD1 4.05Å; I42-Y60 HydrophobicContact CD1-CE1 3.65Å; I42-Y60 HydrophobicContact CG1-CD1 3.95Å; I42-Y60 HydrophobicContact CG1-CE1 4.06Å; R58-Y60 HydrophobicContact CB-CE2 4.1Å; Y60-Y75 HydrophobicContact CD1-CE1 4.28Å; Y60-F78 HydrophobicContact CD1-CE2 4.26Å; Y60-F78 AromaticContact CD1-CZ 3.72Å; Y60-F78 HydrophobicContact CD1-CZ 3.72Å; Y60-F78 AromaticContact CD2-CE2 3.85Å; Y60-F78 HydrophobicContact CD2-CE2 3.85Å; Y60-F78 AromaticContact CD2-CZ 3.98Å; Y60-F78 HydrophobicContact CD2-CZ 3.98Å; Y60-F78 AromaticContact CE1-CE2 3.94Å; Y60-F78 HydrophobicContact CE1-CE2 3.94Å; Y60-F78 AromaticContact CE1-CZ 3.69Å; Y60-F78 HydrophobicContact CE1-CZ 3.69Å; Y60-F78 AromaticContact CE2-CE2 3.52Å; Y60-F78 HydrophobicContact CE2-CE2 3.52Å; Y60-F78 AromaticContact CE2-CZ 3.98Å; Y60-F78 HydrophobicContact CE2-CZ 3.98Å; Y60-F78 HydrophobicContact CG-CE2 4.22Å; Y60-F78 AromaticContact CG-CZ 3.86Å; Y60-F78 HydrophobicContact CG-CZ 3.86Å; Y60-F78 AromaticContact CZ-CE2 3.55Å; Y60-F78 AromaticContact CZ-CZ 3.83Å
61D97.6Very high93.7Very high0 Ų064.3 Ų64.30%032%0.321CS..EExtended strand (participates in β ladder)trans-79.4120.2174.1-170.325000109.1K17 T18 L21 T38 E40 D41 Y43 F59K17-D61 WeakPolarHBondContact CB-OD1 3.5Å; T18-D61 WeakPolarHBondContact CA-OD2 3.36Å; T18-D61 VanDerWaalsContact CB-OD2 3.28Å; T18-D61 WeakPolarHBondContact CB-OD2 3.23Å; T18-D61 WeakPolarHBondContact CG2-OD2 3.48Å; T18-D61 PolarHBondContact OG1-OD2 3.4Å; L21-D61 HydrophobicContact CD1-CB 3.72Å; T38-D61 WeakPolarHBondContact CG2-OD2 3.31Å; E40-D61 WeakPolarHBondContact CA-O 3.43Å; D41-D61 PolarHBondContact N-O 3.42Å; D41-D61 PolarHBondContact O-N 3.4Å; Y43-D61 HydrophobicContact CD2-CB 4.05Å; Y43-D61 HydrophobicContact CE2-CB 3.86Å; F59-D61 PolarHBondContact O-N 3Å
62T97.5Very high94Very high4 Ų461.9 Ų61.93%0.02532%0.319CS..EExtended strand (participates in β ladder)trans-102.3153.3-17362.90000111.2V8 V9 K17 G64 L71 Y75V8-T62 HydrophobicContact CG1-CG2 3.85Å; V9-T62 PolarHBondContact O-N 3.47Å; V9-T62 PolarHBondContact O-OG1 3.4Å; K17-T62 WeakPolarHBondContact CE-O 3.47Å; T62-G64 PolarHBondContact O-N 3.15Å; T62-L71 HydrophobicContact CG2-CD1 4.06Å; T62-Y75 HydrophobicContact CG2-CE1 4.23Å; T62-Y75 HydrophobicContact CG2-CE2 3.98Å
63R96.6Very high94.3Very high100 Ų10068.5 Ų68.538%0.37733%0.328SS..PPolyproline II helixtrans-50.2139166.9-176171.378.8174.5-0.8111T38 L39 L65 M69T38-R63 VanDerWaalsContact O-CA 3.26Å; T38-R63 WeakPolarHBondContact O-CA 3.28Å; T38-R63 VanDerWaalsContact O-CB 3.26Å; T38-R63 WeakPolarHBondContact O-CB 3.44Å; T38-R63 VanDerWaalsContact O-CG 3.22Å; T38-R63 WeakPolarHBondContact O-CG 3.48Å; L39-R63 VanDerWaalsContact O-CB 3.31Å; L39-R63 WeakPolarHBondContact O-CB 3.35Å; L39-R63 PolarHBondContact O-N 3.32Å; L39-R63 VanDerWaalsContact O-N 3.13Å; R63-L65 PolarHBondContact O-N 3.18Å; R63-M69 VanDerWaalsContact NH2-CE 3.27Å; R63-M69 PolarHBondContact NH2-SD 2.98Å
64G95.9Very high94.5Very high5 Ų569.6 Ų69.65%0.05233%0.329CS..PPolyproline II helixtrans-56.1125.1168.800000112.9K17 T62 R66K17-G64 VanDerWaalsContact NZ-CA 3.26Å; T62-G64 PolarHBondContact O-N 3.15Å; G64-R66 PolarHBondContact O-N 3.14Å
65L95.5Very high94.7Very high8 Ų862.1 Ų62.14%0.04230%0.301CS..BIsolated β-bridgetrans-76.4125.4179.1-59.4173.2000109.7G11 Q12 A13 R63 M69 L71 L100G11-L65 PolarHBondContact O-N 2.97Å; G11-L65 VanDerWaalsContact O-N 3.09Å; Q12-L65 WeakPolarHBondContact CA-O 3.04Å; Q12-L65 VanDerWaalsContact CG-O 3.28Å; Q12-L65 WeakPolarHBondContact CG-O 3.38Å; A13-L65 PolarHBondContact N-O 3.36Å; A13-L65 VanDerWaalsContact N-O 3.08Å; R63-L65 PolarHBondContact O-N 3.18Å; L65-M69 HydrophobicContact CD2-CB 4.15Å; L65-L71 HydrophobicContact CD1-CB 4.34Å; L65-L100 HydrophobicContact CD1-CD1 3.99Å; L65-L100 HydrophobicContact CD1-CD2 3.67Å; L65-L100 HydrophobicContact CD1-CG 4.22Å
66R94.1Very high94.8Very high128 Ų12860.9 Ų60.948%0.48330%0.295SS..  trans-101.3175.5170.6-57.3177.5-177.7-117.47.6109.4A13 E37 G64 G68 M69A13-R66 HydrophobicContact CB-CG 4.08Å; E37-R66 IonicContact OE1-CZ 2.69Å; E37-R66 IonicContact OE1-NE 2.73Å; E37-R66 IonicContact OE1-NH2 3.08Å; E37-R66 PolarHBondContact OE1-NH2 3.31Å; E37-R66 IonicContact OE2-CZ 3.5Å; E37-R66 IonicContact OE2-NH2 3.52Å; E37-R66 PolarHBondContact OE2-NH2 3.19Å; G64-R66 PolarHBondContact O-N 3.14Å; R66-G68 PolarHBondContact O-N 3.06Å; R66-M69 HydrophobicContact CB-CE 4.04Å; R66-M69 HydrophobicContact CB-CG 4.39Å; R66-M69 HydrophobicContact CB-SD 3.87Å; R66-M69 HydrophobicContact CG-CE 4.33Å; R66-M69 HydrophobicContact CG-SD 4.24Å; R66-M69 VanDerWaalsContact O-CB 3.32Å; R66-M69 WeakPolarHBondContact O-CB 3.43Å; R66-M69 PolarHBondContact O-N 3.5Å
67D90.8Very high94.6Very high132 Ų13259.1 Ų59.171%0.70629%0.292SS*.THydrogen-bonded Turntrans-56.2136.8-180-62.1-10.5000111.4M69D67-M69 PolarHBondContact O-N 3Å
68G89.6Confident94.3Very high83 Ų8361.3 Ų61.386%0.85630%0.302SS*.THydrogen-bonded Turntrans74.2-6.9-176.600000115.8R66R66-G68 PolarHBondContact O-N 3.06Å
69M94.2Very high94.2Very high52 Ų5256.6 Ų56.626%0.25628%0.284SS..  trans-81.2156.8172.8-59-175.2176.900110.6R63 L65 R66 D67 R96R63-M69 VanDerWaalsContact NH2-CE 3.27Å; R63-M69 PolarHBondContact NH2-SD 2.98Å; L65-M69 HydrophobicContact CD2-CB 4.15Å; R66-M69 HydrophobicContact CB-CE 4.04Å; R66-M69 HydrophobicContact CB-CG 4.39Å; R66-M69 HydrophobicContact CB-SD 3.87Å; R66-M69 HydrophobicContact CG-CE 4.33Å; R66-M69 HydrophobicContact CG-SD 4.24Å; R66-M69 VanDerWaalsContact O-CB 3.32Å; R66-M69 WeakPolarHBondContact O-CB 3.43Å; R66-M69 PolarHBondContact O-N 3.5Å; D67-M69 PolarHBondContact O-N 3Å; M69-R96 VanDerWaalsContact O-CZ 3.26Å; M69-R96 PolarHBondContact O-NH1 3.27Å; M69-R96 PolarHBondContact O-NH2 3.23Å
70E94.3Very high93.9Very high143 Ų14357.4 Ų57.467%0.66829%0.288SS*.  trans-130.9156.9172.8-67.8-173.5168.400109.4
71L95.7Very high93.9Very high4 Ų455.7 Ų55.72%0.02128%0.282CS..  trans-71.2129.5172-177.572.7000108.2V8 C10 T62 L65 R73 Y75 Y76 F82 L100V8-L71 HydrophobicContact CG1-CD1 4.49Å; V8-L71 HydrophobicContact CG1-CD2 4.42Å; C10-L71 HydrophobicContact CB-CD1 3.98Å; C10-L71 HydrophobicContact CB-CD2 4.4Å; T62-L71 HydrophobicContact CG2-CD1 4.06Å; L65-L71 HydrophobicContact CD1-CB 4.34Å; L71-R73 PolarHBondContact O-N 2.91Å; L71-Y75 HydrophobicContact CD1-CD2 3.59Å; L71-Y75 HydrophobicContact CD1-CE2 4.1Å; L71-Y75 HydrophobicContact CD1-CG 4.25Å; L71-Y75 HydrophobicContact CD2-CD2 4.49Å; L71-Y75 HydrophobicContact CG-CD2 3.81Å; L71-Y75 HydrophobicContact CG-CG 4.33Å; L71-Y76 HydrophobicContact CB-CE1 4.49Å; L71-Y76 WeakPolarHBondContact CB-OH 3.46Å; L71-Y76 HydrophobicContact CD2-CD1 4.34Å; L71-Y76 HydrophobicContact CD2-CE1 3.79Å; L71-Y76 WeakPolarHBondContact O-CE2 3.48Å; L71-F82 HydrophobicContact CD2-CE1 4.15Å; L71-L100 HydrophobicContact CB-CD2 4.05Å
72P95Very high93.9Very high61 Ų6155.7 Ų55.740%0.39628%0.282SS..  trans-53.7134.4179.5-31.137.1000113.1H74 Y75P72-H74 WeakPolarHBondContact CB-CE1 3.3Å; P72-H74 WeakPolarHBondContact CB-ND1 3.37Å; P72-H74 PolarHBondContact O-N 3.28Å; P72-Y75 HydrophobicContact CB-CD2 3.82Å; P72-Y75 HydrophobicContact CB-CE2 3.9Å; P72-Y75 HydrophobicContact CG-CD2 4.09Å; P72-Y75 HydrophobicContact CG-CE2 3.82Å; P72-Y75 WeakPolarHBondContact O-CD2 3.28Å; P72-Y75 PolarHBondContact O-N 3Å
73R92.4Very high93.9Very high190 Ų19055.5 Ų55.572%0.71728%0.281SS*.THydrogen-bonded Turntrans-55.3-32.1-169.9-72.1-174.4178.7-177.2-0.1114.9L71 Y75 Y76L71-R73 PolarHBondContact O-N 2.91Å; R73-Y75 PolarHBondContact O-N 3.45Å; R73-Y76 WeakPolarHBondContact O-CD2 3.2Å; R73-Y76 PolarHBondContact O-N 3.42Å
74H92.5Very high94.1Very high92 Ų9250.7 Ų50.743%0.42626%0.263SS..Hα-helixtrans-62.7-30.5-177.966.5-88.5000112.2P72 Y76 T77 F78P72-H74 WeakPolarHBondContact CB-CE1 3.3Å; P72-H74 WeakPolarHBondContact CB-ND1 3.37Å; P72-H74 PolarHBondContact O-N 3.28Å; H74-Y76 VanDerWaalsContact C-N 3.27Å; H74-Y76 PolarHBondContact O-N 2.91Å; H74-T77 PolarHBondContact O-N 3.41Å; H74-T77 PolarHBondContact O-OG1 3.31Å; H74-T77 VanDerWaalsContact O-OG1 3.06Å; H74-F78 AromaticContact CD2-CE1 3.73Å; H74-F78 WeakPolarHBondContact O-CD1 3.42Å; H74-F78 PolarHBondContact O-N 3.45Å
75Y94.6Very high94.2Very high7 Ų750.5 Ų50.53%0.02726%0.26CS..Hα-helixtrans-61.7-33.6176.8-69.8-61.3000113V8 E40 Y60 T62 L71 P72 R73 T77 F78 A79 F82V8-Y75 HydrophobicContact CB-CD1 4.44Å; V8-Y75 HydrophobicContact CG1-CD1 3.98Å; V8-Y75 HydrophobicContact CG1-CG 4.1Å; V8-Y75 HydrophobicContact CG2-CD1 3.55Å; V8-Y75 HydrophobicContact CG2-CE1 4.43Å; V8-Y75 HydrophobicContact CG2-CG 4.17Å; E40-Y75 PolarHBondContact OE1-OH 2.97Å; Y60-Y75 HydrophobicContact CD1-CE1 4.28Å; T62-Y75 HydrophobicContact CG2-CE1 4.23Å; T62-Y75 HydrophobicContact CG2-CE2 3.98Å; L71-Y75 HydrophobicContact CD1-CD2 3.59Å; L71-Y75 HydrophobicContact CD1-CE2 4.1Å; L71-Y75 HydrophobicContact CD1-CG 4.25Å; L71-Y75 HydrophobicContact CD2-CD2 4.49Å; L71-Y75 HydrophobicContact CG-CD2 3.81Å; L71-Y75 HydrophobicContact CG-CG 4.33Å; P72-Y75 HydrophobicContact CB-CD2 3.82Å; P72-Y75 HydrophobicContact CB-CE2 3.9Å; P72-Y75 HydrophobicContact CG-CD2 4.09Å; P72-Y75 HydrophobicContact CG-CE2 3.82Å; P72-Y75 WeakPolarHBondContact O-CD2 3.28Å; P72-Y75 PolarHBondContact O-N 3Å; R73-Y75 PolarHBondContact O-N 3.45Å; Y75-T77 VanDerWaalsContact C-N 3.3Å; Y75-T77 PolarHBondContact O-N 3.23Å; Y75-F78 HydrophobicContact CD1-CD1 4.44Å; Y75-F78 AromaticContact CD1-CE1 3.29Å; Y75-F78 HydrophobicContact CD1-CE1 3.29Å; Y75-F78 AromaticContact CD1-CZ 3.56Å; Y75-F78 HydrophobicContact CD1-CZ 3.56Å; Y75-F78 AromaticContact CE1-CE1 3.83Å; Y75-F78 HydrophobicContact CE1-CE1 3.83Å; Y75-F78 AromaticContact CE1-CZ 3.92Å; Y75-F78 HydrophobicContact CE1-CZ 3.92Å; Y75-F78 HydrophobicContact CG-CE1 4.15Å; Y75-A79 VanDerWaalsContact O-CB 3.27Å; Y75-A79 WeakPolarHBondContact O-CB 3.41Å; Y75-A79 PolarHBondContact O-N 3.39Å; Y75-F82 WeakPolarHBondContact O-CZ 2.88Å
76Y92.8Very high94.4Very high10 Ų1050.1 Ų50.14%0.03926%0.258CS..Hα-helixtrans-66.8-30.4179.3-56.1-63.4000113.2L71 R73 H74 F82 D103 I104 H107L71-Y76 HydrophobicContact CB-CE1 4.49Å; L71-Y76 WeakPolarHBondContact CB-OH 3.46Å; L71-Y76 HydrophobicContact CD2-CD1 4.34Å; L71-Y76 HydrophobicContact CD2-CE1 3.79Å; L71-Y76 WeakPolarHBondContact O-CE2 3.48Å; R73-Y76 WeakPolarHBondContact O-CD2 3.2Å; R73-Y76 PolarHBondContact O-N 3.42Å; H74-Y76 VanDerWaalsContact C-N 3.27Å; H74-Y76 PolarHBondContact O-N 2.91Å; Y76-F82 HydrophobicContact CD1-CZ 4.37Å; Y76-D103 HydrophobicContact CE1-CB 4.06Å; Y76-D103 WeakPolarHBondContact OH-CB 3.5Å; Y76-I104 HydrophobicContact CD1-CB 4.49Å; Y76-I104 HydrophobicContact CD1-CG1 3.88Å; Y76-I104 HydrophobicContact CE1-CG1 3.79Å; Y76-H107 HydrophobicContact CD1-CB 4.32Å; Y76-H107 HydrophobicContact CD2-CB 3.91Å; Y76-H107 HydrophobicContact CG-CB 3.72Å
77T88.7Confident94.6Very high83 Ų8344.1 Ų44.151%0.50924%0.236SC..Hα-helixtrans-93.4-35.1-173.457.50000113.1H74 Y75H74-T77 PolarHBondContact O-N 3.41Å; H74-T77 PolarHBondContact O-OG1 3.31Å; H74-T77 VanDerWaalsContact O-OG1 3.06Å; Y75-T77 VanDerWaalsContact C-N 3.3Å; Y75-T77 PolarHBondContact O-N 3.23Å
78F89.3Confident94.9Very high48 Ų4837.9 Ų37.921%0.21120%0.202CC..Hα-helixtrans-90.1-20.6-175.588.3-105.4000114.4K6 V8 Y60 H74 Y75K6-F78 HydrophobicContact CB-CD2 4.09Å; K6-F78 HydrophobicContact CB-CE2 3.94Å; K6-F78 HydrophobicContact CD-CD2 3.5Å; K6-F78 HydrophobicContact CD-CE2 3.88Å; K6-F78 HydrophobicContact CG-CD2 4.42Å; K6-F78 HydrophobicContact CG-CE2 4.44Å; V8-F78 HydrophobicContact CG2-CZ 4.08Å; Y60-F78 HydrophobicContact CD1-CE2 4.26Å; Y60-F78 AromaticContact CD1-CZ 3.72Å; Y60-F78 HydrophobicContact CD1-CZ 3.72Å; Y60-F78 AromaticContact CD2-CE2 3.85Å; Y60-F78 HydrophobicContact CD2-CE2 3.85Å; Y60-F78 AromaticContact CD2-CZ 3.98Å; Y60-F78 HydrophobicContact CD2-CZ 3.98Å; Y60-F78 AromaticContact CE1-CE2 3.94Å; Y60-F78 HydrophobicContact CE1-CE2 3.94Å; Y60-F78 AromaticContact CE1-CZ 3.69Å; Y60-F78 HydrophobicContact CE1-CZ 3.69Å; Y60-F78 AromaticContact CE2-CE2 3.52Å; Y60-F78 HydrophobicContact CE2-CE2 3.52Å; Y60-F78 AromaticContact CE2-CZ 3.98Å; Y60-F78 HydrophobicContact CE2-CZ 3.98Å; Y60-F78 HydrophobicContact CG-CE2 4.22Å; Y60-F78 AromaticContact CG-CZ 3.86Å; Y60-F78 HydrophobicContact CG-CZ 3.86Å; Y60-F78 AromaticContact CZ-CE2 3.55Å; Y60-F78 AromaticContact CZ-CZ 3.83Å; H74-F78 AromaticContact CD2-CE1 3.73Å; H74-F78 WeakPolarHBondContact O-CD1 3.42Å; H74-F78 PolarHBondContact O-N 3.45Å; Y75-F78 HydrophobicContact CD1-CD1 4.44Å; Y75-F78 AromaticContact CD1-CE1 3.29Å; Y75-F78 HydrophobicContact CD1-CE1 3.29Å; Y75-F78 AromaticContact CD1-CZ 3.56Å; Y75-F78 HydrophobicContact CD1-CZ 3.56Å; Y75-F78 AromaticContact CE1-CE1 3.83Å; Y75-F78 HydrophobicContact CE1-CE1 3.83Å; Y75-F78 AromaticContact CE1-CZ 3.92Å; Y75-F78 HydrophobicContact CE1-CZ 3.92Å; Y75-F78 HydrophobicContact CG-CE1 4.15Å
79A94.2Very high95.4Very high1 Ų135.2 Ų35.21%0.00817%0.169CC..  trans-63.7142.5-174.800000112.7V8 Y75 F82 K111V8-A79 HydrophobicContact CG2-CB 3.9Å; Y75-A79 VanDerWaalsContact O-CB 3.27Å; Y75-A79 WeakPolarHBondContact O-CB 3.41Å; Y75-A79 PolarHBondContact O-N 3.39Å; A79-F82 HydrophobicContact CB-CD2 4.34Å; A79-F82 HydrophobicContact CB-CE1 4.28Å; A79-F82 HydrophobicContact CB-CE2 3.64Å; A79-F82 HydrophobicContact CB-CZ 3.59Å; A79-K111 PolarHBondContact O-NZ 3.24Å; A79-K111 VanDerWaalsContact O-NZ 3.15Å
80D93.7Very high95.6Very high18 Ų1834.2 Ų34.210%0.09617%0.167CC..SBendtrans-92.6-23164.9-62.3-63.2000111.2K3 K6 K111 T114 M168K3-D80 IonicContact NZ-OD1 2.64Å; K3-D80 PolarHBondContact NZ-OD1 3.18Å; K6-D80 PolarHBondContact N-OD2 3Å; K6-D80 WeakPolarHBondContact O-CA 3.42Å; K6-D80 PolarHBondContact O-N 2.84Å; D80-K111 IonicContact OD1-NZ 2.81Å; D80-K111 PolarHBondContact OD1-NZ 2.92Å; D80-T114 PolarHBondContact O-N 3.44Å; D80-M168 HydrophobicContact CB-SD 4.36Å
81G96.3Very high95.8Very high0 Ų034 Ų340%016%0.164CC..EExtended strand (participates in β ladder)trans-157.8166.4174.400000114.1K6 V7 V8 T114K6-G81 PolarHBondContact O-N 2.95Å; K6-G81 VanDerWaalsContact O-N 3.16Å; V7-G81 VanDerWaalsContact CA-O 3.31Å; V7-G81 WeakPolarHBondContact CA-O 3.34Å; V8-G81 PolarHBondContact N-O 2.79Å; G81-T114 CarbonylContact C-O 3.59Å; G81-T114 WeakPolarHBondContact CA-O 3.36Å
82F98.1Very high95.9Very high0 Ų037.9 Ų37.90%018%0.182CC..EExtended strand (participates in β ladder)trans-127.3142.2175.7-71.3-89.9000111.5V8 L71 Y75 Y76 A79 I104 V113 T114 I115 I116V8-F82 HydrophobicContact CB-CD1 3.71Å; V8-F82 HydrophobicContact CB-CE1 3.65Å; V8-F82 HydrophobicContact CG1-CD1 4.09Å; V8-F82 HydrophobicContact CG1-CE1 3.93Å; V8-F82 HydrophobicContact CG2-CE1 4.17Å; V8-F82 WeakPolarHBondContact O-CA 3.44Å; L71-F82 HydrophobicContact CD2-CE1 4.15Å; Y75-F82 WeakPolarHBondContact O-CZ 2.88Å; Y76-F82 HydrophobicContact CD1-CZ 4.37Å; A79-F82 HydrophobicContact CB-CD2 4.34Å; A79-F82 HydrophobicContact CB-CE1 4.28Å; A79-F82 HydrophobicContact CB-CE2 3.64Å; A79-F82 HydrophobicContact CB-CZ 3.59Å; F82-I104 HydrophobicContact CB-CD1 4.06Å; F82-I104 HydrophobicContact CD1-CD1 3.66Å; F82-I104 HydrophobicContact CD1-CG1 4.25Å; F82-I104 HydrophobicContact CD2-CD1 3.99Å; F82-I104 HydrophobicContact CD2-CG1 4.33Å; F82-I104 HydrophobicContact CD2-CG2 3.91Å; F82-I104 HydrophobicContact CE1-CD1 4.07Å; F82-I104 HydrophobicContact CE1-CG1 4.17Å; F82-I104 HydrophobicContact CE2-CD1 4.38Å; F82-I104 HydrophobicContact CE2-CG1 4.25Å; F82-I104 HydrophobicContact CE2-CG2 3.85Å; F82-I104 HydrophobicContact CG-CD1 3.63Å; F82-I104 HydrophobicContact CG-CG1 4.35Å; F82-I104 HydrophobicContact CZ-CD1 4.43Å; F82-I104 HydrophobicContact CZ-CG1 4.18Å; F82-V113 HydrophobicContact CD2-CG1 3.57Å; F82-V113 HydrophobicContact CE2-CG1 3.81Å; F82-T114 PolarHBondContact N-O 3.15Å; F82-I115 HydrophobicContact CB-CG1 4.32Å; F82-I115 HydrophobicContact CB-CG2 4.3Å; F82-I115 HydrophobicContact CD2-CG1 4.46Å; F82-I115 WeakPolarHBondContact O-CA 3.49Å; F82-I116 PolarHBondContact O-N 2.81Å
83V98.8Very high96Very high0 Ų035 Ų350%016%0.163CC..EExtended strand (participates in β ladder)trans-113.3110.6163.6-1790000107.1V7 V8 V9 C10 V85 I116 L118 F161 L164V7-V83 HydrophobicContact CG1-CG2 3.68Å; V8-V83 PolarHBondContact O-N 3.02Å; V9-V83 WeakPolarHBondContact CA-O 3.32Å; V9-V83 HydrophobicContact CG1-CB 4.27Å; V9-V83 HydrophobicContact CG1-CG1 4.34Å; V9-V83 HydrophobicContact CG2-CB 4.17Å; V9-V83 HydrophobicContact CG2-CG2 4.47Å; C10-V83 PolarHBondContact N-O 2.73Å; V83-V85 HydrophobicContact CG1-CG2 3.97Å; V83-I116 HydrophobicContact CB-CG1 4.31Å; V83-I116 HydrophobicContact CG1-CD1 4.37Å; V83-I116 HydrophobicContact CG1-CG1 4.28Å; V83-I116 HydrophobicContact CG2-CD1 3.92Å; V83-I116 HydrophobicContact CG2-CG1 3.81Å; V83-L118 HydrophobicContact CG1-CD1 3.52Å; V83-L118 HydrophobicContact CG1-CG 3.84Å; V83-F161 HydrophobicContact CG1-CZ 4.47Å; V83-F161 HydrophobicContact CG2-CE1 4.21Å; V83-F161 HydrophobicContact CG2-CZ 4.49Å; V83-L164 HydrophobicContact CG2-CD2 3.66Å
84L98.8Very high96.3Very high0 Ų026.3 Ų26.30%013%0.13CC..EExtended strand (participates in β ladder)trans-91.8124.9174.2-57.1-174.6000109.6C10 M97 L100 K101 I104 I115 I116 V117 L118C10-L84 WeakPolarHBondContact O-CA 3.43Å; C10-L84 WeakPolarHBondContact SG-CD2 3.5Å; L84-M97 HydrophobicContact CB-CG 3.79Å; L84-M97 HydrophobicContact CD1-CG 4.26Å; L84-M97 HydrophobicContact CD1-SD 4.27Å; L84-L100 HydrophobicContact CD2-CB 4.21Å; L84-K101 HydrophobicContact CD1-CB 3.82Å; L84-I104 HydrophobicContact CD1-CD1 4.38Å; L84-I104 HydrophobicContact CD2-CD1 3.7Å; L84-I104 HydrophobicContact CG-CD1 4.44Å; L84-I115 HydrophobicContact CD1-CG2 4.14Å; L84-I115 HydrophobicContact CG-CG2 4.17Å; L84-I116 PolarHBondContact N-O 3.08Å; L84-V117 HydrophobicContact CB-CG1 4.49Å; L84-V117 HydrophobicContact CB-CG2 4.23Å; L84-V117 HydrophobicContact CD1-CG2 4.41Å; L84-V117 CarbonylContact O-C 3.51Å; L84-V117 WeakPolarHBondContact O-CA 3.23Å; L84-L118 PolarHBondContact O-N 2.8Å
85V98.9Very high96.6Very high0 Ų027.8 Ų27.80%014%0.136CC..EExtended strand (participates in β ladder)trans-115.5126.9-177.6-167.70000110.1V9 C10 G11 V15 K17 V83 L118 N120V9-V85 HydrophobicContact CG1-CG2 3.91Å; C10-V85 PolarHBondContact O-N 2.79Å; G11-V85 WeakPolarHBondContact CA-O 3.45Å; V15-V85 HydrophobicContact CB-CG1 4.17Å; V15-V85 HydrophobicContact CG2-CB 3.86Å; V15-V85 HydrophobicContact CG2-CG1 3.73Å; K17-V85 HydrophobicContact CG-CB 4.08Å; K17-V85 HydrophobicContact CG-CG2 4.1Å; V83-V85 HydrophobicContact CG1-CG2 3.97Å; V85-L118 WeakPolarHBondContact CA-O 3.37Å; V85-L118 HydrophobicContact CG1-CB 4.47Å; V85-L118 HydrophobicContact CG2-CB 4.45Å; V85-L118 HydrophobicContact CG2-CD1 4.48Å; V85-N120 HydrophobicContact CG1-CB 4.04Å
86Y98.9Very high96.8Very high0 Ų029.5 Ų29.50%014%0.142CC..EExtended strand (participates in β ladder)trans-122.5169.9164.376.4-86.9000109I88 F94 M97 V117 L118 N120 I130 L146Y86-I88 HydrophobicContact CE2-CG2 4.16Å; Y86-F94 HydrophobicContact CD1-CD2 4.05Å; Y86-F94 HydrophobicContact CD1-CE2 4.48Å; Y86-F94 HydrophobicContact CD2-CB 4.27Å; Y86-F94 AromaticContact CD2-CD2 3.77Å; Y86-F94 HydrophobicContact CD2-CD2 3.77Å; Y86-F94 AromaticContact CE1-CD2 3.97Å; Y86-F94 HydrophobicContact CE1-CD2 3.97Å; Y86-F94 HydrophobicContact CE1-CE2 4.08Å; Y86-F94 AromaticContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CE2 4.38Å; Y86-F94 AromaticContact CG-CD2 3.95Å; Y86-F94 HydrophobicContact CG-CD2 3.95Å; Y86-F94 AromaticContact CZ-CD2 3.81Å; Y86-M97 HydrophobicContact CD1-CE 4.09Å; Y86-M97 HydrophobicContact CD1-CG 4.41Å; Y86-M97 HydrophobicContact CE1-CE 4.44Å; Y86-V117 HydrophobicContact CD1-CG1 3.94Å; Y86-V117 HydrophobicContact CE1-CG1 3.93Å; Y86-L118 WeakPolarHBondContact CD1-O 3.45Å; Y86-L118 PolarHBondContact N-O 3.38Å; Y86-N120 PolarHBondContact O-N 3.43Å; Y86-I130 HydrophobicContact CD2-CD1 3.65Å; Y86-I130 HydrophobicContact CE2-CD1 3.66Å; Y86-L146 HydrophobicContact CE1-CD1 3.84Å; Y86-L146 HydrophobicContact CE1-CG 4.35Å
87S98.5Very high97Very high3 Ų329 Ų292%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-114.3137.1172.566.50000111.3D89 S90 S93 N120 I130S87-D89 WeakPolarHBondContact CB-OD1 3.09Å; S87-D89 PolarHBondContact O-N 3.07Å; S87-D89 VanDerWaalsContact O-N 3.09Å; S87-D89 PolarHBondContact OG-OD1 3.36Å; S87-S90 PolarHBondContact O-N 3.46Å; S87-S90 WeakPolarHBondContact OG-CB 3.3Å; S87-S93 PolarHBondContact N-OG 2.96Å; S87-S93 PolarHBondContact O-OG 3.35Å; S87-N120 WeakPolarHBondContact CA-O 3.37Å; S87-I130 VanDerWaalsContact O-CD1 3.3Å; S87-I130 WeakPolarHBondContact O-CD1 3.2Å
88I98.7Very high97.5Very high0 Ų026.8 Ų26.80%012%0.124CC..THydrogen-bonded Turntrans-63.5-19.4-174.366.1158.2000113.2Y86 N120 K121 L125 R128 R129 I130 E148Y86-I88 HydrophobicContact CE2-CG2 4.16Å; I88-N120 PolarHBondContact N-O 3.42Å; I88-K121 VanDerWaalsContact CD1-O 3.31Å; I88-K121 WeakPolarHBondContact CD1-O 3.03Å; I88-K121 VanDerWaalsContact CG1-O 3.29Å; I88-K121 WeakPolarHBondContact CG1-O 3.45Å; I88-L125 HydrophobicContact CD1-CD2 4.23Å; I88-R128 HydrophobicContact CD1-CB 4.47Å; I88-R129 PolarHBondContact O-N 3.43Å; I88-I130 PolarHBondContact O-N 3.31Å; I88-E148 HydrophobicContact CG2-CG 4.28Å; I88-E148 WeakPolarHBondContact CG2-OE1 3.42Å
89D98.4Very high97.9Very high28 Ų2826.3 Ų26.315%0.1513%0.129CC..THydrogen-bonded Turntrans-86.7-017865-9000113.6S87 K121 E127 R129S87-D89 WeakPolarHBondContact CB-OD1 3.09Å; S87-D89 PolarHBondContact O-N 3.07Å; S87-D89 VanDerWaalsContact O-N 3.09Å; S87-D89 PolarHBondContact OG-OD1 3.36Å; D89-K121 IonicContact OD1-NZ 3.49Å; D89-K121 WeakPolarHBondContact OD2-CD 3.45Å; D89-K121 IonicContact OD2-NZ 3.94Å; D89-K121 PolarHBondContact OD2-NZ 2.97Å; D89-K121 VanDerWaalsContact OD2-NZ 3.14Å; D89-E127 HydrophobicContact CB-CB 4.08Å; D89-R129 WeakPolarHBondContact O-CG 3.45Å
90S98.4Very high98.1Very high31 Ų3126.3 Ų26.322%0.21713%0.129CC..  trans-137.2103.4-175.7176.40000113.5S87 E92 S93 F94 I130S87-S90 PolarHBondContact O-N 3.46Å; S87-S90 WeakPolarHBondContact OG-CB 3.3Å; S90-E92 PolarHBondContact O-N 3.04Å; S90-S93 WeakPolarHBondContact CB-OG 3.38Å; S90-S93 WeakPolarHBondContact O-CB 3.32Å; S90-S93 PolarHBondContact O-N 3.33Å; S90-S93 VanDerWaalsContact O-N 3.1Å; S90-S93 PolarHBondContact O-OG 2.89Å; S90-S93 PolarHBondContact OG-N 2.97Å; S90-F94 PolarHBondContact O-N 3.07Å; S90-I130 WeakPolarHBondContact O-CD1 3.26Å
91K98.3Very high98.2Very high138 Ų13825.7 Ų25.760%0.613%0.125SC*.Hα-helixtrans-55.9-35.7172.5-76179-178.2-176.70112.8S93 F94 K95 R129 I130K91-S93 VanDerWaalsContact C-N 3.32Å; K91-F94 PolarHBondContact O-N 2.99Å; K91-K95 PolarHBondContact O-N 2.93Å; K91-R129 WeakPolarHBondContact CE-O 3.46Å; K91-R129 HydrophobicContact CG-CB 3.94Å; K91-R129 VanDerWaalsContact CG-O 3.32Å; K91-R129 WeakPolarHBondContact CG-O 3.46Å; K91-I130 HydrophobicContact CG-CG1 4.27Å
92E98Very high98.2Very high86 Ų8631.4 Ų31.440%0.40215%0.15SC..Hα-helixtrans-67.2-38.3179.9-167.554-140.300111.1S90 F94 K95 R96S90-E92 PolarHBondContact O-N 3.04Å; E92-F94 VanDerWaalsContact C-N 3.27Å; E92-F94 PolarHBondContact O-N 3.42Å; E92-K95 PolarHBondContact O-N 3.22Å; E92-K95 IonicContact OE2-NZ 3.32Å; E92-R96 WeakPolarHBondContact O-CB 3.45Å; E92-R96 PolarHBondContact O-N 2.6Å
93S98.6Very high98.1Very high1 Ų132.3 Ų32.31%0.00716%0.155CC..Hα-helixtrans-64-34.8175.679.50000112.3S87 S90 K91 R96 M97S87-S93 PolarHBondContact N-OG 2.96Å; S87-S93 PolarHBondContact O-OG 3.35Å; S90-S93 WeakPolarHBondContact CB-OG 3.38Å; S90-S93 WeakPolarHBondContact O-CB 3.32Å; S90-S93 PolarHBondContact O-N 3.33Å; S90-S93 VanDerWaalsContact O-N 3.1Å; S90-S93 PolarHBondContact O-OG 2.89Å; S90-S93 PolarHBondContact OG-N 2.97Å; K91-S93 VanDerWaalsContact C-N 3.32Å; S93-R96 PolarHBondContact O-N 2.91Å; S93-M97 WeakPolarHBondContact O-CB 3.21Å; S93-M97 PolarHBondContact O-N 3.3Å
94F98.7Very high97.9Very high6 Ų632.4 Ų32.43%0.02616%0.155CC..Hα-helixtrans-67-50.6174.9-169.3-88.5000111.2Y86 S90 K91 E92 R96 M97 E98 I130 Y134 A135 W138Y86-F94 HydrophobicContact CD1-CD2 4.05Å; Y86-F94 HydrophobicContact CD1-CE2 4.48Å; Y86-F94 HydrophobicContact CD2-CB 4.27Å; Y86-F94 AromaticContact CD2-CD2 3.77Å; Y86-F94 HydrophobicContact CD2-CD2 3.77Å; Y86-F94 AromaticContact CE1-CD2 3.97Å; Y86-F94 HydrophobicContact CE1-CD2 3.97Å; Y86-F94 HydrophobicContact CE1-CE2 4.08Å; Y86-F94 AromaticContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CE2 4.38Å; Y86-F94 AromaticContact CG-CD2 3.95Å; Y86-F94 HydrophobicContact CG-CD2 3.95Å; Y86-F94 AromaticContact CZ-CD2 3.81Å; S90-F94 PolarHBondContact O-N 3.07Å; K91-F94 PolarHBondContact O-N 2.99Å; E92-F94 VanDerWaalsContact C-N 3.27Å; E92-F94 PolarHBondContact O-N 3.42Å; F94-R96 PolarHBondContact O-N 3.43Å; F94-M97 HydrophobicContact CD1-CE 4.36Å; F94-M97 HydrophobicContact CD2-CE 3.64Å; F94-M97 HydrophobicContact CE1-CE 4.15Å; F94-M97 HydrophobicContact CE2-CE 3.41Å; F94-M97 VanDerWaalsContact CE2-CE 3.41Å; F94-M97 HydrophobicContact CG-CE 4.12Å; F94-M97 HydrophobicContact CZ-CE 3.69Å; F94-M97 CarbonylContact O-C 3.47Å; F94-M97 WeakPolarHBondContact O-CA 3.13Å; F94-M97 VanDerWaalsContact O-CB 3.32Å; F94-M97 WeakPolarHBondContact O-CB 3.48Å; F94-M97 PolarHBondContact O-N 2.97Å; F94-E98 HydrophobicContact CD1-CG 3.85Å; F94-E98 VanDerWaalsContact CE1-CD 3.47Å; F94-E98 HydrophobicContact CE1-CG 3.64Å; F94-E98 HydrophobicContact CZ-CG 4.47Å; F94-E98 WeakPolarHBondContact O-CG 3.48Å; F94-E98 PolarHBondContact O-N 3.46Å; F94-I130 HydrophobicContact CB-CD1 3.72Å; F94-I130 HydrophobicContact CB-CG1 4.14Å; F94-I130 HydrophobicContact CD2-CD1 4.29Å; F94-I130 HydrophobicContact CD2-CG2 4.05Å; F94-I130 HydrophobicContact CE2-CG2 4.35Å; F94-I130 HydrophobicContact CG-CD1 4.34Å; F94-I130 HydrophobicContact CG-CG2 4.39Å; F94-Y134 HydrophobicContact CD1-CE1 4.15Å; F94-Y134 HydrophobicContact CE1-CD1 4.33Å; F94-Y134 AromaticContact CE1-CE1 3.56Å; F94-Y134 HydrophobicContact CE1-CE1 3.56Å; F94-Y134 HydrophobicContact CZ-CD1 4.4Å; F94-Y134 HydrophobicContact CZ-CE1 4.03Å; F94-A135 HydrophobicContact CE2-CB 3.76Å; F94-A135 HydrophobicContact CZ-CB 4.25Å; F94-W138 HydrophobicContact CE1-CD2 4.48Å; F94-W138 HydrophobicContact CE1-CG 4.28Å; F94-W138 HydrophobicContact CZ-CB 4.09Å; F94-W138 AromaticContact CZ-CD2 3.97Å; F94-W138 HydrophobicContact CZ-CD2 3.97Å; F94-W138 HydrophobicContact CZ-CE3 4.12Å; F94-W138 AromaticContact CZ-CG 3.94Å; F94-W138 HydrophobicContact CZ-CG 3.94Å
95K98.2Very high97.7Very high123 Ų12335 Ų3554%0.53517%0.169SC..Hα-helixtrans-55.4-40.4175.4-70.9178.3-177.9174.60112K91 E92 M97 E98 A99K91-K95 PolarHBondContact O-N 2.93Å; E92-K95 PolarHBondContact O-N 3.22Å; E92-K95 IonicContact OE2-NZ 3.32Å; K95-M97 VanDerWaalsContact C-N 3.33Å; K95-M97 PolarHBondContact O-N 3.27Å; K95-E98 WeakPolarHBondContact O-CB 3.3Å; K95-E98 PolarHBondContact O-N 3.36Å; K95-A99 PolarHBondContact O-N 3.17Å
96R98.1Very high97.4Very high43 Ų4343.4 Ų43.416%0.16220%0.201CC..Hα-helixtrans-63.8-40.1176.7-175.362.8-171.6-171.25.2112Q12 M69 E92 S93 F94 A99 L100Q12-R96 HydrophobicContact CB-CB 4.36Å; Q12-R96 HydrophobicContact CB-CG 4.18Å; M69-R96 VanDerWaalsContact O-CZ 3.26Å; M69-R96 PolarHBondContact O-NH1 3.27Å; M69-R96 PolarHBondContact O-NH2 3.23Å; E92-R96 WeakPolarHBondContact O-CB 3.45Å; E92-R96 PolarHBondContact O-N 2.6Å; S93-R96 PolarHBondContact O-N 2.91Å; F94-R96 PolarHBondContact O-N 3.43Å; R96-A99 PolarHBondContact O-N 3.02Å; R96-L100 WeakPolarHBondContact O-CG 3.34Å; R96-L100 PolarHBondContact O-N 3.04Å
97M98.4Very high96.9Very high0 Ų047 Ų470%022%0.218CC..Hα-helixtrans-64-41.2174177.8-77.9-59.800111.7L84 Y86 S93 F94 K95 A99 L100 K101 V117 W138L84-M97 HydrophobicContact CB-CG 3.79Å; L84-M97 HydrophobicContact CD1-CG 4.26Å; L84-M97 HydrophobicContact CD1-SD 4.27Å; Y86-M97 HydrophobicContact CD1-CE 4.09Å; Y86-M97 HydrophobicContact CD1-CG 4.41Å; Y86-M97 HydrophobicContact CE1-CE 4.44Å; S93-M97 WeakPolarHBondContact O-CB 3.21Å; S93-M97 PolarHBondContact O-N 3.3Å; F94-M97 HydrophobicContact CD1-CE 4.36Å; F94-M97 HydrophobicContact CD2-CE 3.64Å; F94-M97 HydrophobicContact CE1-CE 4.15Å; F94-M97 HydrophobicContact CE2-CE 3.41Å; F94-M97 VanDerWaalsContact CE2-CE 3.41Å; F94-M97 HydrophobicContact CG-CE 4.12Å; F94-M97 HydrophobicContact CZ-CE 3.69Å; F94-M97 CarbonylContact O-C 3.47Å; F94-M97 WeakPolarHBondContact O-CA 3.13Å; F94-M97 VanDerWaalsContact O-CB 3.32Å; F94-M97 WeakPolarHBondContact O-CB 3.48Å; F94-M97 PolarHBondContact O-N 2.97Å; K95-M97 VanDerWaalsContact C-N 3.33Å; K95-M97 PolarHBondContact O-N 3.27Å; M97-A99 VanDerWaalsContact C-N 3.35Å; M97-A99 PolarHBondContact O-N 2.78Å; M97-L100 PolarHBondContact O-N 3.05Å; M97-K101 PolarHBondContact O-N 2.91Å; M97-V117 HydrophobicContact CE-CG1 4.11Å; M97-V117 HydrophobicContact CG-CG1 4.08Å; M97-V117 HydrophobicContact SD-CG1 3.8Å; M97-V117 HydrophobicContact SD-CG2 4.32Å; M97-W138 HydrophobicContact CE-CD2 4.37Å; M97-W138 HydrophobicContact CE-CE3 3.92Å; M97-W138 HydrophobicContact CE-CH2 3.66Å; M97-W138 HydrophobicContact CE-CZ2 4.05Å; M97-W138 HydrophobicContact CE-CZ3 3.57Å; M97-W138 HydrophobicContact SD-CE3 4.44Å; M97-W138 HydrophobicContact SD-CH2 3.13Å; M97-W138 WeakPolarHBondContact SD-CH2 3.17Å; M97-W138 HydrophobicContact SD-CZ2 3.76Å; M97-W138 HydrophobicContact SD-CZ3 3.53Å; M97-W138 VanDerWaalsContact SD-CZ3 3.53Å
98E98.3Very high96Very high36 Ų3651.9 Ų51.917%0.16824%0.236CC..Hα-helixtrans-61-43.1174.8-60.8-177.798.400112F94 K95 K101 K102 W138F94-E98 HydrophobicContact CD1-CG 3.85Å; F94-E98 VanDerWaalsContact CE1-CD 3.47Å; F94-E98 HydrophobicContact CE1-CG 3.64Å; F94-E98 HydrophobicContact CZ-CG 4.47Å; F94-E98 WeakPolarHBondContact O-CG 3.48Å; F94-E98 PolarHBondContact O-N 3.46Å; K95-E98 WeakPolarHBondContact O-CB 3.3Å; K95-E98 PolarHBondContact O-N 3.36Å; E98-K101 PolarHBondContact O-N 2.79Å; E98-K102 WeakPolarHBondContact O-CG 3.36Å; E98-K102 PolarHBondContact O-N 3.38Å; E98-K102 VanDerWaalsContact O-N 3.16Å; E98-W138 HydrophobicContact CB-CZ2 4.29Å; E98-W138 HydrophobicContact CG-CZ2 3.99Å; E98-W138 PolarHBondContact OE1-NE1 2.9Å; E98-W138 VanDerWaalsContact OE1-NE1 3.08Å
99A97.6Very high94.8Very high38 Ų3857.2 Ų57.231%0.31426%0.264SS..Hα-helixtrans-62.4-46175.800000111.5K95 R96 M97 K101 K102 D103K95-A99 PolarHBondContact O-N 3.17Å; R96-A99 PolarHBondContact O-N 3.02Å; M97-A99 VanDerWaalsContact C-N 3.35Å; M97-A99 PolarHBondContact O-N 2.78Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.18Å; A99-K102 WeakPolarHBondContact O-CB 3.38Å; A99-K102 PolarHBondContact O-N 2.65Å; A99-K102 VanDerWaalsContact O-N 3.14Å; A99-D103 VanDerWaalsContact O-CG 3.23Å; A99-D103 PolarHBondContact O-N 3.29Å
100L97.5Very high93.2Very high1 Ų166.6 Ų66.61%0.00530%0.304CS..Hα-helixtrans-58.2-42176.2-80.5168.2000112.6L65 L71 L84 R96 M97 K102 D103 I104L65-L100 HydrophobicContact CD1-CD1 3.99Å; L65-L100 HydrophobicContact CD1-CD2 3.67Å; L65-L100 HydrophobicContact CD1-CG 4.22Å; L71-L100 HydrophobicContact CB-CD2 4.05Å; L84-L100 HydrophobicContact CD2-CB 4.21Å; R96-L100 WeakPolarHBondContact O-CG 3.34Å; R96-L100 PolarHBondContact O-N 3.04Å; M97-L100 PolarHBondContact O-N 3.05Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 3.25Å; L100-D103 PolarHBondContact O-N 3.48Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 3.36Å
101K97.6Very high91.9Very high6 Ų669.2 Ų69.23%0.02631%0.311CS..Hα-helixtrans-60.2-45.2176176.451.817253.30111.5L84 M97 E98 A99 D103 I104 D105 I115 W138 E142 V144L84-K101 HydrophobicContact CD1-CB 3.82Å; M97-K101 PolarHBondContact O-N 2.91Å; E98-K101 PolarHBondContact O-N 2.79Å; A99-K101 VanDerWaalsContact C-N 3.31Å; A99-K101 PolarHBondContact O-N 3.18Å; K101-D103 VanDerWaalsContact C-N 3.3Å; K101-D103 PolarHBondContact O-N 2.91Å; K101-I104 PolarHBondContact O-N 3.02Å; K101-D105 VanDerWaalsContact NZ-CG 3.31Å; K101-D105 IonicContact NZ-OD1 3.51Å; K101-D105 PolarHBondContact NZ-OD1 2.99Å; K101-D105 IonicContact NZ-OD2 3.54Å; K101-D105 PolarHBondContact NZ-OD2 3.1Å; K101-D105 PolarHBondContact O-N 3.28Å; K101-I115 HydrophobicContact CD-CD1 3.94Å; K101-W138 HydrophobicContact CB-CH2 4.2Å; K101-W138 HydrophobicContact CB-CZ2 4.14Å; K101-W138 HydrophobicContact CG-CH2 4.21Å; K101-W138 HydrophobicContact CG-CZ2 4.19Å; K101-E142 IonicContact NZ-OE2 3.07Å; K101-E142 PolarHBondContact NZ-OE2 3.29Å; K101-V144 HydrophobicContact CD-CG1 4.36Å; K101-V144 VanDerWaalsContact CE-CG1 3.46Å
102K96.3Very high91Very high120 Ų12069.9 Ų69.952%0.52232%0.316SS..Hα-helixtrans-61.4-39.6174.9-68.2174.5-175.6175.40111.7E98 A99 L100 D105 R106E98-K102 WeakPolarHBondContact O-CG 3.36Å; E98-K102 PolarHBondContact O-N 3.38Å; E98-K102 VanDerWaalsContact O-N 3.16Å; A99-K102 WeakPolarHBondContact O-CB 3.38Å; A99-K102 PolarHBondContact O-N 2.65Å; A99-K102 VanDerWaalsContact O-N 3.14Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 3.25Å; K102-D105 PolarHBondContact O-N 3.06Å; K102-R106 WeakPolarHBondContact O-CB 3.45Å; K102-R106 VanDerWaalsContact O-CG 3.28Å; K102-R106 WeakPolarHBondContact O-CG 3.47Å; K102-R106 PolarHBondContact O-N 3.34Å
103D95Very high90.7Very high19 Ų1966.5 Ų66.510%0.10230%0.301CS..Hα-helixtrans-65.2-43.5178.3-63.2-17.7000111.9Y76 A99 L100 K101 D105 R106 H107Y76-D103 HydrophobicContact CE1-CB 4.06Å; Y76-D103 WeakPolarHBondContact OH-CB 3.5Å; A99-D103 VanDerWaalsContact O-CG 3.23Å; A99-D103 PolarHBondContact O-N 3.29Å; L100-D103 PolarHBondContact O-N 3.48Å; K101-D103 VanDerWaalsContact C-N 3.3Å; K101-D103 PolarHBondContact O-N 2.91Å; D103-D105 VanDerWaalsContact C-N 3.35Å; D103-D105 PolarHBondContact O-N 3.32Å; D103-R106 PolarHBondContact O-N 2.71Å; D103-R106 IonicContact OD1-CZ 3.55Å; D103-R106 IonicContact OD1-NE 3.72Å; D103-R106 IonicContact OD1-NH2 2.62Å; D103-R106 PolarHBondContact OD1-NH2 2.91Å; D103-H107 PolarHBondContact O-N 2.94Å; D103-H107 PolarHBondContact O-ND1 2.79Å
104I95.3Very high90.5Very high1 Ų167.8 Ų67.81%0.00531%0.31CS..Hα-helixtrans-61-45.4176-68162.4000110.3Y76 F82 L84 L100 K101 R106 H107 R108 I115Y76-I104 HydrophobicContact CD1-CB 4.49Å; Y76-I104 HydrophobicContact CD1-CG1 3.88Å; Y76-I104 HydrophobicContact CE1-CG1 3.79Å; F82-I104 HydrophobicContact CB-CD1 4.06Å; F82-I104 HydrophobicContact CD1-CD1 3.66Å; F82-I104 HydrophobicContact CD1-CG1 4.25Å; F82-I104 HydrophobicContact CD2-CD1 3.99Å; F82-I104 HydrophobicContact CD2-CG1 4.33Å; F82-I104 HydrophobicContact CD2-CG2 3.91Å; F82-I104 HydrophobicContact CE1-CD1 4.07Å; F82-I104 HydrophobicContact CE1-CG1 4.17Å; F82-I104 HydrophobicContact CE2-CD1 4.38Å; F82-I104 HydrophobicContact CE2-CG1 4.25Å; F82-I104 HydrophobicContact CE2-CG2 3.85Å; F82-I104 HydrophobicContact CG-CD1 3.63Å; F82-I104 HydrophobicContact CG-CG1 4.35Å; F82-I104 HydrophobicContact CZ-CD1 4.43Å; F82-I104 HydrophobicContact CZ-CG1 4.18Å; L84-I104 HydrophobicContact CD1-CD1 4.38Å; L84-I104 HydrophobicContact CD2-CD1 3.7Å; L84-I104 HydrophobicContact CG-CD1 4.44Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 3.36Å; K101-I104 PolarHBondContact O-N 3.02Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 2.96Å; I104-H107 PolarHBondContact O-N 3.02Å; I104-R108 VanDerWaalsContact O-CB 3.23Å; I104-R108 WeakPolarHBondContact O-CB 3.32Å; I104-R108 WeakPolarHBondContact O-CG 3.28Å; I104-R108 PolarHBondContact O-N 3.16Å; I104-I115 HydrophobicContact CB-CD1 4.5Å; I104-I115 HydrophobicContact CG2-CD1 3.65Å
105D93.4Very high90.4Very high55 Ų5568.2 Ų68.229%0.29431%0.312SS..Hα-helixtrans-64.9-32.1179.1-76.3-6.9000113.1K101 K102 D103 R108K101-D105 VanDerWaalsContact NZ-CG 3.31Å; K101-D105 IonicContact NZ-OD1 3.51Å; K101-D105 PolarHBondContact NZ-OD1 2.99Å; K101-D105 IonicContact NZ-OD2 3.54Å; K101-D105 PolarHBondContact NZ-OD2 3.1Å; K101-D105 PolarHBondContact O-N 3.28Å; K102-D105 PolarHBondContact O-N 3.06Å; D103-D105 VanDerWaalsContact C-N 3.35Å; D103-D105 PolarHBondContact O-N 3.32Å; D105-R108 IonicContact OD1-CZ 3.28Å; D105-R108 VanDerWaalsContact OD1-CZ 3.28Å; D105-R108 IonicContact OD1-NE 3.83Å; D105-R108 IonicContact OD1-NH1 3.08Å; D105-R108 PolarHBondContact OD1-NH1 3.18Å; D105-R108 IonicContact OD1-NH2 3.82Å
106R92.1Very high90.5Very high177 Ų17762.4 Ų62.467%0.66829%0.287SS*.Hα-helixtrans-72.9-35.4176.6-75.2-170.9-65.3169.6-0.8113.2K102 D103 I104K102-R106 WeakPolarHBondContact O-CB 3.45Å; K102-R106 VanDerWaalsContact O-CG 3.28Å; K102-R106 WeakPolarHBondContact O-CG 3.47Å; K102-R106 PolarHBondContact O-N 3.34Å; D103-R106 PolarHBondContact O-N 2.71Å; D103-R106 IonicContact OD1-CZ 3.55Å; D103-R106 IonicContact OD1-NE 3.72Å; D103-R106 IonicContact OD1-NH2 2.62Å; D103-R106 PolarHBondContact OD1-NH2 2.91Å; I104-R106 VanDerWaalsContact C-N 3.28Å; I104-R106 PolarHBondContact O-N 2.96Å
107H88.9Confident90.5Very high75 Ų7560.3 Ų60.335%0.34728%0.279SS..Hα-helixtrans-107.2-10.5-171-6294.7000114.3Y76 D103 I104 D109Y76-H107 HydrophobicContact CD1-CB 4.32Å; Y76-H107 HydrophobicContact CD2-CB 3.91Å; Y76-H107 HydrophobicContact CG-CB 3.72Å; D103-H107 PolarHBondContact O-N 2.94Å; D103-H107 PolarHBondContact O-ND1 2.79Å; I104-H107 PolarHBondContact O-N 3.02Å; H107-D109 PolarHBondContact O-N 2.91Å
108R79.8Confident90.5Very high105 Ų10560.3 Ų60.340%0.39628%0.279SS..  trans-65.6129171.372-174.1-172.1-164.6-0.4108.5I104 D105 V113I104-R108 VanDerWaalsContact O-CB 3.23Å; I104-R108 WeakPolarHBondContact O-CB 3.32Å; I104-R108 WeakPolarHBondContact O-CG 3.28Å; I104-R108 PolarHBondContact O-N 3.16Å; D105-R108 IonicContact OD1-CZ 3.28Å; D105-R108 VanDerWaalsContact OD1-CZ 3.28Å; D105-R108 IonicContact OD1-NE 3.83Å; D105-R108 IonicContact OD1-NH1 3.08Å; D105-R108 PolarHBondContact OD1-NH1 3.18Å; D105-R108 IonicContact OD1-NH2 3.82Å; R108-V113 HydrophobicContact CB-CG2 4.49Å
109D74.3Confident90.6Very high113 Ų11358.6 Ų58.660%0.60427%0.271SS*.  trans-62.1-176.3169.7-70.7-40.8000110.5H107 K111H107-D109 PolarHBondContact O-N 2.91Å; D109-K111 PolarHBondContact O-N 2.73Å
110K64.1Low90.6Very high225 Ų22556.9 Ų56.998%0.97826%0.256SS*.SBendtrans-60.56173.1-66.5-178.1179.4177.70114.7
111K70.7Confident90.6Very high86 Ų8659.1 Ų59.137%0.37427%0.266SS..SBendtrans-80.6130.7175.8-174.5-174.3172.4-161.80109.3A79 D80 D109 V113A79-K111 PolarHBondContact O-NZ 3.24Å; A79-K111 VanDerWaalsContact O-NZ 3.15Å; D80-K111 IonicContact OD1-NZ 2.81Å; D80-K111 PolarHBondContact OD1-NZ 2.92Å; D109-K111 PolarHBondContact O-N 2.73Å; K111-V113 PolarHBondContact O-N 3.38Å
112E80.3Confident90.6Very high151 Ų15161.2 Ų61.271%0.70628%0.277SS*.  trans-67.2126.2169.2-169.1173.8-170.500109.5Q172E112-Q172 PolarHBondContact OE2-NE2 3.32Å
113V91.4Very high90.6Very high15 Ų1559.5 Ų59.59%0.09127%0.274CS..  trans-120.2130.1179-179.80000108.3F82 R108 K111F82-V113 HydrophobicContact CD2-CG1 3.57Å; F82-V113 HydrophobicContact CE2-CG1 3.81Å; R108-V113 HydrophobicContact CB-CG2 4.49Å; K111-V113 PolarHBondContact O-N 3.38Å
114T94.7Very high90.6Very high29 Ų2961.7 Ų61.718%0.17828%0.282CS..EExtended strand (participates in β ladder)trans-78.9126.4177.8-56.50000109.9D80 G81 F82 L164 K167 M168D80-T114 PolarHBondContact O-N 3.44Å; G81-T114 CarbonylContact C-O 3.59Å; G81-T114 WeakPolarHBondContact CA-O 3.36Å; F82-T114 PolarHBondContact N-O 3.15Å; T114-L164 HydrophobicContact CG2-CD1 3.65Å; T114-K167 HydrophobicContact CG2-CB 3.7Å; T114-M168 HydrophobicContact CG2-CG 4.45Å
115I97.4Very high90.7Very high15 Ų1566.3 Ų66.38%0.07731%0.307CS..EExtended strand (participates in β ladder)trans-122.3128.4178.8-53.1173.5000109F82 L84 K101 I104 V144F82-I115 HydrophobicContact CB-CG1 4.32Å; F82-I115 HydrophobicContact CB-CG2 4.3Å; F82-I115 HydrophobicContact CD2-CG1 4.46Å; F82-I115 WeakPolarHBondContact O-CA 3.49Å; L84-I115 HydrophobicContact CD1-CG2 4.14Å; L84-I115 HydrophobicContact CG-CG2 4.17Å; K101-I115 HydrophobicContact CD-CD1 3.94Å; I104-I115 HydrophobicContact CB-CD1 4.5Å; I104-I115 HydrophobicContact CG2-CD1 3.65Å; I115-V144 HydrophobicContact CB-CG1 4.01Å; I115-V144 HydrophobicContact CG2-CG1 4.05Å
116I98.6Very high90.9Very high0 Ų072 Ų720%034%0.337CS..EExtended strand (participates in β ladder)trans-119.4155.4166.864.8163.1000110.4F82 V83 L84 L118 W147 P160 L164F82-I116 PolarHBondContact O-N 2.81Å; V83-I116 HydrophobicContact CB-CG1 4.31Å; V83-I116 HydrophobicContact CG1-CD1 4.37Å; V83-I116 HydrophobicContact CG1-CG1 4.28Å; V83-I116 HydrophobicContact CG2-CD1 3.92Å; V83-I116 HydrophobicContact CG2-CG1 3.81Å; L84-I116 PolarHBondContact N-O 3.08Å; I116-L118 HydrophobicContact CD1-CD2 4.37Å; I116-W147 HydrophobicContact CB-CZ3 3.93Å; I116-W147 HydrophobicContact CG2-CH2 4.37Å; I116-W147 HydrophobicContact CG2-CZ3 3.8Å; I116-P160 HydrophobicContact CD1-CB 3.96Å; I116-P160 WeakPolarHBondContact CD1-O 3.43Å; I116-L164 HydrophobicContact CD1-CB 4.06Å; I116-L164 HydrophobicContact CD1-CD2 4.19Å; I116-L164 HydrophobicContact CG1-CD1 4.35Å; I116-L164 HydrophobicContact CG1-CD2 4.43Å; I116-L164 HydrophobicContact CG2-CB 4.32Å; I116-L164 HydrophobicContact CG2-CD1 4.29Å
117V98.9Very high91.2Very high0 Ų068.1 Ų68.10%033%0.326CS..EExtended strand (participates in β ladder)trans-121.9135.1178.6-174.10000110L84 Y86 M97 W138 V144 R145 L146 W147L84-V117 HydrophobicContact CB-CG1 4.49Å; L84-V117 HydrophobicContact CB-CG2 4.23Å; L84-V117 HydrophobicContact CD1-CG2 4.41Å; L84-V117 CarbonylContact O-C 3.51Å; L84-V117 WeakPolarHBondContact O-CA 3.23Å; Y86-V117 HydrophobicContact CD1-CG1 3.94Å; Y86-V117 HydrophobicContact CE1-CG1 3.93Å; M97-V117 HydrophobicContact CE-CG1 4.11Å; M97-V117 HydrophobicContact CG-CG1 4.08Å; M97-V117 HydrophobicContact SD-CG1 3.8Å; M97-V117 HydrophobicContact SD-CG2 4.32Å; V117-W138 HydrophobicContact CG1-CZ3 4.49Å; V117-W138 HydrophobicContact CG2-CH2 4.37Å; V117-W138 HydrophobicContact CG2-CZ3 4.05Å; V117-V144 HydrophobicContact CG2-CB 4.31Å; V117-V144 HydrophobicContact CG2-CG2 3.8Å; V117-R145 PolarHBondContact N-O 2.89Å; V117-L146 HydrophobicContact CB-CB 4.16Å; V117-L146 HydrophobicContact CB-CD1 4.27Å; V117-L146 HydrophobicContact CB-CG 4.11Å; V117-L146 HydrophobicContact CG1-CD1 3.87Å; V117-L146 HydrophobicContact CG1-CG 4.05Å; V117-L146 VanDerWaalsContact O-CA 3.3Å; V117-L146 WeakPolarHBondContact O-CA 3.39Å; V117-W147 PolarHBondContact O-N 3.46Å
118L98.9Very high91.6Very high0 Ų067.6 Ų67.60%032%0.321CS..EExtended strand (participates in β ladder)trans-117.6118.7177-56.9-177.7000109.9V20 V83 L84 V85 Y86 I116 N120 W147 V149 P160 F161V20-L118 HydrophobicContact CG1-CD1 3.9Å; V83-L118 HydrophobicContact CG1-CD1 3.52Å; V83-L118 HydrophobicContact CG1-CG 3.84Å; L84-L118 PolarHBondContact O-N 2.8Å; V85-L118 WeakPolarHBondContact CA-O 3.37Å; V85-L118 HydrophobicContact CG1-CB 4.47Å; V85-L118 HydrophobicContact CG2-CB 4.45Å; V85-L118 HydrophobicContact CG2-CD1 4.48Å; Y86-L118 WeakPolarHBondContact CD1-O 3.45Å; Y86-L118 PolarHBondContact N-O 3.38Å; I116-L118 HydrophobicContact CD1-CD2 4.37Å; L118-N120 PolarHBondContact O-N 2.99Å; L118-W147 CarbonylContact C-O 3.35Å; L118-W147 WeakPolarHBondContact CA-O 2.88Å; L118-W147 HydrophobicContact CD2-CB 4.35Å; L118-V149 HydrophobicContact CB-CG2 4.13Å; L118-V149 HydrophobicContact CD2-CG1 4.11Å; L118-P160 HydrophobicContact CD2-CB 3.63Å; L118-P160 HydrophobicContact CD2-CG 3.91Å; L118-F161 HydrophobicContact CD1-CE2 3.81Å; L118-F161 HydrophobicContact CD1-CZ 4.11Å
119G98.8Very high92.5Very high0 Ų070.4 Ų70.40%033%0.332CS..EExtended strand (participates in β ladder)trans-88.688.2164.900000109.8W147 E148 V149G119-W147 PolarHBondContact N-O 2.82Å; G119-E148 CarbonylContact O-C 3.53Å; G119-E148 WeakPolarHBondContact O-CA 3.36Å; G119-V149 PolarHBondContact O-N 2.87Å
120N98.6Very high93.7Very high2 Ų265.4 Ų65.41%0.01131%0.305CS..EExtended strand (participates in β ladder)trans-76.2169.1-175-167.728.8000112.4V15 V85 Y86 S87 I88 L118 V149V15-N120 PolarHBondContact O-ND2 3.34Å; V85-N120 HydrophobicContact CG1-CB 4.04Å; Y86-N120 PolarHBondContact O-N 3.43Å; S87-N120 WeakPolarHBondContact CA-O 3.37Å; I88-N120 PolarHBondContact N-O 3.42Å; L118-N120 PolarHBondContact O-N 2.99Å; N120-V149 CarbonylContact C-O 3.17Å; N120-V149 VanDerWaalsContact CA-O 3.32Å; N120-V149 WeakPolarHBondContact CA-O 3.1Å; N120-V149 HydrophobicContact CB-CG2 4.23Å; N120-V149 PolarHBondContact OD1-O 2.81Å
121K97.1Very high95.3Very high47 Ų4759 Ų5920%0.20428%0.281CS..  trans68.236.9-178.8-45.3-174.1-166169.30113.4G14 I88 D89 D123 K124 V149G14-K121 WeakPolarHBondContact O-CE 3.42Å; G14-K121 PolarHBondContact O-NZ 3.16Å; I88-K121 VanDerWaalsContact CD1-O 3.31Å; I88-K121 WeakPolarHBondContact CD1-O 3.03Å; I88-K121 VanDerWaalsContact CG1-O 3.29Å; I88-K121 WeakPolarHBondContact CG1-O 3.45Å; D89-K121 IonicContact OD1-NZ 3.49Å; D89-K121 WeakPolarHBondContact OD2-CD 3.45Å; D89-K121 IonicContact OD2-NZ 3.94Å; D89-K121 PolarHBondContact OD2-NZ 2.97Å; D89-K121 VanDerWaalsContact OD2-NZ 3.14Å; K121-D123 WeakPolarHBondContact CA-OD1 3.49Å; K121-D123 PolarHBondContact O-N 2.69Å; K121-D123 VanDerWaalsContact O-N 3.1Å; K121-K124 HydrophobicContact CB-CD 4.12Å; K121-K124 HydrophobicContact CB-CG 4.33Å; K121-K124 HydrophobicContact CD-CD 4Å; K121-K124 WeakPolarHBondContact O-CB 3.4Å; K121-K124 PolarHBondContact O-N 3.39Å; K121-V149 PolarHBondContact N-O 3.2Å
122L97.9Very high96.6Very high50 Ų5056.4 Ų56.426%0.26228%0.276SS..THydrogen-bonded Turntrans-56.3-23.6176.5-178.961.8000113.1K124 L125 E148 V149L122-K124 PolarHBondContact O-N 3.48Å; L122-L125 HydrophobicContact CD1-CD2 3.77Å; L122-L125 WeakPolarHBondContact O-CG 3.33Å; L122-E148 HydrophobicContact CD1-CB 3.98Å; L122-E148 HydrophobicContact CD2-CB 4.32Å; L122-V149 VanDerWaalsContact CB-O 3.23Å; L122-V149 WeakPolarHBondContact CB-O 3.31Å; L122-V149 PolarHBondContact N-O 2.7Å
123D95.8Very high97.4Very high85 Ų8554.5 Ų54.546%0.45527%0.271SS..THydrogen-bonded Turntrans-62.7-19.4171.552.3-72.9000114K121 L125 S150 V152K121-D123 WeakPolarHBondContact CA-OD1 3.49Å; K121-D123 PolarHBondContact O-N 2.69Å; K121-D123 VanDerWaalsContact O-N 3.1Å; D123-L125 PolarHBondContact O-N 2.94Å; D123-S150 WeakPolarHBondContact OD1-CB 3.26Å; D123-S150 PolarHBondContact OD1-OG 3.08Å; D123-V152 HydrophobicContact CB-CG2 4.44Å
124K96Very high97.8Very high65 Ų6559.6 Ų59.628%0.28329%0.289SS..  trans-96.747.9-179.9-63.1-175.9157.6-120.50113.3K121 L122 D126 E127 R128K121-K124 HydrophobicContact CB-CD 4.12Å; K121-K124 HydrophobicContact CB-CG 4.33Å; K121-K124 HydrophobicContact CD-CD 4Å; K121-K124 WeakPolarHBondContact O-CB 3.4Å; K121-K124 PolarHBondContact O-N 3.39Å; L122-K124 PolarHBondContact O-N 3.48Å; K124-D126 PolarHBondContact O-N 2.97Å; K124-E127 HydrophobicContact CB-CB 4.25Å; K124-E127 VanDerWaalsContact NZ-CD 3.32Å; K124-E127 IonicContact NZ-OE1 2.83Å; K124-E127 PolarHBondContact NZ-OE1 3.34Å; K124-E127 IonicContact NZ-OE2 3.89Å; K124-E127 PolarHBondContact NZ-OE2 3.19Å; K124-E127 VanDerWaalsContact NZ-OE2 3.08Å; K124-E127 PolarHBondContact O-N 2.87Å; K124-E127 VanDerWaalsContact O-N 3.07Å; K124-R128 PolarHBondContact O-N 3.06Å
125L96.9Very high97.9Very high98 Ų9858.2 Ų58.251%0.51328%0.281SS..G310 helixtrans-57.9-36.8-178.4-69.4178.5000113I88 L122 D123 E127 R128I88-L125 HydrophobicContact CD1-CD2 4.23Å; L122-L125 HydrophobicContact CD1-CD2 3.77Å; L122-L125 WeakPolarHBondContact O-CG 3.33Å; D123-L125 PolarHBondContact O-N 2.94Å; L125-E127 PolarHBondContact O-N 2.81Å; L125-R128 WeakPolarHBondContact O-CB 3.13Å; L125-R128 PolarHBondContact O-N 3.44Å; L125-R128 VanDerWaalsContact O-N 3.14Å
126D97.7Very high98Very high174 Ų17461.6 Ų61.693%0.9330%0.296SS*.G310 helixtrans-68.9-22.4179.8-62-31.5000113K124K124-D126 PolarHBondContact O-N 2.97Å
127E97.8Very high98Very high95 Ų9566.1 Ų66.144%0.44432%0.32SS..G310 helixtrans-95.91.6176.7-58.6178-124.100112.3D89 K124 L125 R129D89-E127 HydrophobicContact CB-CB 4.08Å; K124-E127 HydrophobicContact CB-CB 4.25Å; K124-E127 VanDerWaalsContact NZ-CD 3.32Å; K124-E127 IonicContact NZ-OE1 2.83Å; K124-E127 PolarHBondContact NZ-OE1 3.34Å; K124-E127 IonicContact NZ-OE2 3.89Å; K124-E127 PolarHBondContact NZ-OE2 3.19Å; K124-E127 VanDerWaalsContact NZ-OE2 3.08Å; K124-E127 PolarHBondContact O-N 2.87Å; K124-E127 VanDerWaalsContact O-N 3.07Å; L125-E127 PolarHBondContact O-N 2.81Å; E127-R129 WeakPolarHBondContact O-CG 3.32Å; E127-R129 PolarHBondContact O-N 3.08Å
128R98.4Very high98Very high64 Ų6467.2 Ų67.224%0.24233%0.325CS..  trans-53.2127.7-175.2176.3179.5-74-90.83.4111.2I88 K124 L125 I130 E148I88-R128 HydrophobicContact CD1-CB 4.47Å; K124-R128 PolarHBondContact O-N 3.06Å; L125-R128 WeakPolarHBondContact O-CB 3.13Å; L125-R128 PolarHBondContact O-N 3.44Å; L125-R128 VanDerWaalsContact O-N 3.14Å; R128-I130 WeakPolarHBondContact CD-O 3.29Å; R128-I130 WeakPolarHBondContact CG-O 3.31Å; R128-I130 PolarHBondContact NH1-O 3.09Å; R128-E148 IonicContact CZ-OE1 2.8Å; R128-E148 IonicContact CZ-OE2 3.61Å; R128-E148 IonicContact NH1-OE1 3.14Å; R128-E148 PolarHBondContact NH1-OE1 3.47Å; R128-E148 IonicContact NH1-OE2 2.82Å; R128-E148 PolarHBondContact NH1-OE2 3.12Å; R128-E148 IonicContact NH2-OE1 3.52Å; R128-E148 PolarHBondContact NH2-OE1 3.23Å; R128-E148 IonicContact NH2-OE2 2.75Å; R128-E148 PolarHBondContact NH2-OE2 3.01Å
129R98.5Very high98Very high165 Ų16567.2 Ų67.262%0.62333%0.325SS*.  trans-113.5-7.8175.4-55.1-56.9-173.2142.63113.3I88 D89 K91 E127I88-R129 PolarHBondContact O-N 3.43Å; D89-R129 WeakPolarHBondContact O-CG 3.45Å; K91-R129 WeakPolarHBondContact CE-O 3.46Å; K91-R129 HydrophobicContact CG-CB 3.94Å; K91-R129 VanDerWaalsContact CG-O 3.32Å; K91-R129 WeakPolarHBondContact CG-O 3.46Å; E127-R129 WeakPolarHBondContact O-CG 3.32Å; E127-R129 PolarHBondContact O-N 3.08Å
130I98.3Very high97.9Very high7 Ų774.9 Ų74.94%0.03636%0.358CS..SBendtrans-122122.6-178.2-57.1143.5000108.7Y86 S87 I88 S90 K91 F94 R128 Y134 A135Y86-I130 HydrophobicContact CD2-CD1 3.65Å; Y86-I130 HydrophobicContact CE2-CD1 3.66Å; S87-I130 VanDerWaalsContact O-CD1 3.3Å; S87-I130 WeakPolarHBondContact O-CD1 3.2Å; I88-I130 PolarHBondContact O-N 3.31Å; S90-I130 WeakPolarHBondContact O-CD1 3.26Å; K91-I130 HydrophobicContact CG-CG1 4.27Å; F94-I130 HydrophobicContact CB-CD1 3.72Å; F94-I130 HydrophobicContact CB-CG1 4.14Å; F94-I130 HydrophobicContact CD2-CD1 4.29Å; F94-I130 HydrophobicContact CD2-CG2 4.05Å; F94-I130 HydrophobicContact CE2-CG2 4.35Å; F94-I130 HydrophobicContact CG-CD1 4.34Å; F94-I130 HydrophobicContact CG-CG2 4.39Å; R128-I130 WeakPolarHBondContact CD-O 3.29Å; R128-I130 WeakPolarHBondContact CG-O 3.31Å; R128-I130 PolarHBondContact NH1-O 3.09Å; I130-Y134 HydrophobicContact CG2-CD1 4.34Å; I130-A135 HydrophobicContact CG2-CB 4.14Å
131D98.2Very high97.9Very high90 Ų9080.8 Ų80.848%0.48139%0.39SS..  trans-64.9133.8174.7173.7-105.8000110.6N133 Y134 A135D131-N133 VanDerWaalsContact C-N 3.34Å; D131-N133 PolarHBondContact O-N 2.68Å; D131-N133 WeakPolarHBondContact OD1-CA 3.47Å; D131-N133 VanDerWaalsContact OD1-CB 3.3Å; D131-N133 WeakPolarHBondContact OD1-CB 3.42Å; D131-N133 PolarHBondContact OD1-N 3.38Å; D131-N133 VanDerWaalsContact OD1-N 3.08Å; D131-Y134 WeakPolarHBondContact O-CB 3.23Å; D131-Y134 PolarHBondContact O-N 3.02Å; D131-Y134 PolarHBondContact OD1-N 2.58Å; D131-A135 PolarHBondContact O-N 3.23Å
132A97.8Very high97.9Very high32 Ų3281 Ų8126%0.26439%0.392SS..Hα-helixtrans-65.6-38.4-176.100000111.6A135 Q136A132-A135 PolarHBondContact O-N 2.95Å; A132-Q136 WeakPolarHBondContact O-CB 3.49Å; A132-Q136 VanDerWaalsContact O-CG 3.28Å; A132-Q136 WeakPolarHBondContact O-CG 3.33Å; A132-Q136 PolarHBondContact O-N 3.27Å
133N98.3Very high97.9Very high111 Ų11187.9 Ų87.959%0.59442%0.419SS*.Hα-helixtrans-68.6-39.7178.8-62.3-51.1000111.1D131 Q136 N137D131-N133 VanDerWaalsContact C-N 3.34Å; D131-N133 PolarHBondContact O-N 2.68Å; D131-N133 WeakPolarHBondContact OD1-CA 3.47Å; D131-N133 VanDerWaalsContact OD1-CB 3.3Å; D131-N133 WeakPolarHBondContact OD1-CB 3.42Å; D131-N133 PolarHBondContact OD1-N 3.38Å; D131-N133 VanDerWaalsContact OD1-N 3.08Å; N133-Q136 PolarHBondContact O-N 2.83Å; N133-N137 VanDerWaalsContact O-CB 3.27Å; N133-N137 WeakPolarHBondContact O-CB 3.26Å; N133-N137 PolarHBondContact O-N 3.49Å; N133-N137 PolarHBondContact O-ND2 2.89Å; N133-N137 VanDerWaalsContact O-ND2 3.16Å
134Y98.4Very high97.9Very high122 Ų12284.7 Ų84.748%0.47840%0.403SS..Hα-helixtrans-56.7-50.8172.5175.4-94.3000111.4F94 I130 D131 Q136 N137 W138F94-Y134 HydrophobicContact CD1-CE1 4.15Å; F94-Y134 HydrophobicContact CE1-CD1 4.33Å; F94-Y134 AromaticContact CE1-CE1 3.56Å; F94-Y134 HydrophobicContact CE1-CE1 3.56Å; F94-Y134 HydrophobicContact CZ-CD1 4.4Å; F94-Y134 HydrophobicContact CZ-CE1 4.03Å; I130-Y134 HydrophobicContact CG2-CD1 4.34Å; D131-Y134 WeakPolarHBondContact O-CB 3.23Å; D131-Y134 PolarHBondContact O-N 3.02Å; D131-Y134 PolarHBondContact OD1-N 2.58Å; Y134-Q136 PolarHBondContact O-N 2.56Å; Y134-N137 PolarHBondContact O-N 2.93Å; Y134-W138 PolarHBondContact O-N 3.09Å
135A98.6Very high98Very high0 Ų088.4 Ų88.40%042%0.415CS..Hα-helixtrans-62.3-42.6179.600000112.3F94 I130 D131 A132 W138 A139 L146F94-A135 HydrophobicContact CE2-CB 3.76Å; F94-A135 HydrophobicContact CZ-CB 4.25Å; I130-A135 HydrophobicContact CG2-CB 4.14Å; D131-A135 PolarHBondContact O-N 3.23Å; A132-A135 PolarHBondContact O-N 2.95Å; A135-W138 PolarHBondContact O-N 3.14Å; A135-A139 PolarHBondContact O-N 3.07Å; A135-L146 HydrophobicContact CB-CD1 4.08Å
136Q98.6Very high98.1Very high86 Ų8684.1 Ų84.140%0.40239%0.393SS..Hα-helixtrans-66.4-40.4177.2-72.1-65.5-17.700112.5A132 N133 Y134 A139 K140 L146A132-Q136 WeakPolarHBondContact O-CB 3.49Å; A132-Q136 VanDerWaalsContact O-CG 3.28Å; A132-Q136 WeakPolarHBondContact O-CG 3.33Å; A132-Q136 PolarHBondContact O-N 3.27Å; N133-Q136 PolarHBondContact O-N 2.83Å; Y134-Q136 PolarHBondContact O-N 2.56Å; Q136-A139 PolarHBondContact O-N 3.27Å; Q136-K140 WeakPolarHBondContact O-CB 3.36Å; Q136-K140 PolarHBondContact O-N 2.89Å; Q136-L146 PolarHBondContact NE2-O 2.85Å
137N98.7Very high98.2Very high95 Ų9578.5 Ų78.551%0.50836%0.359SS..Hα-helixtrans-63.4-42.2175.2-76.7-28.9000111.6N133 Y134 K140 N141N133-N137 VanDerWaalsContact O-CB 3.27Å; N133-N137 WeakPolarHBondContact O-CB 3.26Å; N133-N137 PolarHBondContact O-N 3.49Å; N133-N137 PolarHBondContact O-ND2 2.89Å; N133-N137 VanDerWaalsContact O-ND2 3.16Å; Y134-N137 PolarHBondContact O-N 2.93Å; N137-K140 PolarHBondContact O-N 3.1Å; N137-N141 VanDerWaalsContact O-CG 3.24Å; N137-N141 PolarHBondContact O-N 3.05Å; N137-N141 VanDerWaalsContact O-N 3.07Å; N137-N141 PolarHBondContact O-ND2 2.8Å
138W98.6Very high98.2Very high23 Ų2375.9 Ų75.99%0.08735%0.346CS..Hα-helixtrans-58.5-48.9172.7174.690.9000111.4F94 M97 E98 K101 V117 Y134 A135 K140 N141 E142 V144F94-W138 HydrophobicContact CE1-CD2 4.48Å; F94-W138 HydrophobicContact CE1-CG 4.28Å; F94-W138 HydrophobicContact CZ-CB 4.09Å; F94-W138 AromaticContact CZ-CD2 3.97Å; F94-W138 HydrophobicContact CZ-CD2 3.97Å; F94-W138 HydrophobicContact CZ-CE3 4.12Å; F94-W138 AromaticContact CZ-CG 3.94Å; F94-W138 HydrophobicContact CZ-CG 3.94Å; M97-W138 HydrophobicContact CE-CD2 4.37Å; M97-W138 HydrophobicContact CE-CE3 3.92Å; M97-W138 HydrophobicContact CE-CH2 3.66Å; M97-W138 HydrophobicContact CE-CZ2 4.05Å; M97-W138 HydrophobicContact CE-CZ3 3.57Å; M97-W138 HydrophobicContact SD-CE3 4.44Å; M97-W138 HydrophobicContact SD-CH2 3.13Å; M97-W138 WeakPolarHBondContact SD-CH2 3.17Å; M97-W138 HydrophobicContact SD-CZ2 3.76Å; M97-W138 HydrophobicContact SD-CZ3 3.53Å; M97-W138 VanDerWaalsContact SD-CZ3 3.53Å; E98-W138 HydrophobicContact CB-CZ2 4.29Å; E98-W138 HydrophobicContact CG-CZ2 3.99Å; E98-W138 PolarHBondContact OE1-NE1 2.9Å; E98-W138 VanDerWaalsContact OE1-NE1 3.08Å; K101-W138 HydrophobicContact CB-CH2 4.2Å; K101-W138 HydrophobicContact CB-CZ2 4.14Å; K101-W138 HydrophobicContact CG-CH2 4.21Å; K101-W138 HydrophobicContact CG-CZ2 4.19Å; V117-W138 HydrophobicContact CG1-CZ3 4.49Å; V117-W138 HydrophobicContact CG2-CH2 4.37Å; V117-W138 HydrophobicContact CG2-CZ3 4.05Å; Y134-W138 PolarHBondContact O-N 3.09Å; A135-W138 PolarHBondContact O-N 3.14Å; W138-K140 VanDerWaalsContact C-N 3.31Å; W138-K140 PolarHBondContact O-N 3.31Å; W138-N141 PolarHBondContact O-N 3.33Å; W138-N141 VanDerWaalsContact O-N 3.1Å; W138-E142 HydrophobicContact CD2-CG 4.07Å; W138-E142 HydrophobicContact CH2-CB 4.37Å; W138-E142 HydrophobicContact CH2-CG 4.13Å; W138-E142 HydrophobicContact CZ2-CB 4.32Å; W138-E142 HydrophobicContact CZ2-CG 3.6Å; W138-E142 PolarHBondContact O-N 2.87Å; W138-V144 HydrophobicContact CH2-CG2 4.29Å; W138-V144 HydrophobicContact CZ3-CG2 3.93Å
139A98.6Very high98.2Very high1 Ų172.8 Ų72.81%0.00834%0.335CS..Hα-helixtrans-60.5-41.4-179.100000112.2A135 Q136 E142 K143 V144 L146A135-A139 PolarHBondContact O-N 3.07Å; Q136-A139 PolarHBondContact O-N 3.27Å; A139-E142 CarbonylContact O-C 3.54Å; A139-E142 PolarHBondContact O-N 3.43Å; A139-K143 PolarHBondContact O-N 2.93Å; A139-V144 CarbonylContact C-O 3.56Å; A139-V144 HydrophobicContact CB-CG2 4.12Å; A139-V144 PolarHBondContact O-N 2.92Å; A139-V144 VanDerWaalsContact O-O 3.07Å; A139-L146 HydrophobicContact CB-CB 3.54Å; A139-L146 HydrophobicContact CB-CD1 4.08Å; A139-L146 HydrophobicContact CB-CG 4.49Å
140K98.3Very high98.2Very high160 Ų16065.2 Ų65.270%0.69631%0.307SS*.Hα-helixtrans-59.7-45.4174.2-176.8-179177.3-177.20112Q136 N137 W138 E142 K143Q136-K140 WeakPolarHBondContact O-CB 3.36Å; Q136-K140 PolarHBondContact O-N 2.89Å; N137-K140 PolarHBondContact O-N 3.1Å; W138-K140 VanDerWaalsContact C-N 3.31Å; W138-K140 PolarHBondContact O-N 3.31Å; K140-E142 VanDerWaalsContact C-N 3.33Å; K140-K143 PolarHBondContact O-N 2.9Å
141N98.2Very high98Very high127 Ų12765.5 Ų65.568%0.67931%0.309SS*.Hα-helixtrans-65.2-38.6179.2-68.9-18.6000111.9N137 W138 K143N137-N141 VanDerWaalsContact O-CG 3.24Å; N137-N141 PolarHBondContact O-N 3.05Å; N137-N141 VanDerWaalsContact O-N 3.07Å; N137-N141 PolarHBondContact O-ND2 2.8Å; W138-N141 PolarHBondContact O-N 3.33Å; W138-N141 VanDerWaalsContact O-N 3.1Å; N141-K143 PolarHBondContact O-N 2.97Å
142E97.4Very high97.8Very high51 Ų5165.1 Ų65.124%0.23831%0.31CS..THydrogen-bonded Turntrans-79.3-2.6177.2-71.4-65.5148.400114K101 W138 A139 K140 V144K101-E142 IonicContact NZ-OE2 3.07Å; K101-E142 PolarHBondContact NZ-OE2 3.29Å; W138-E142 HydrophobicContact CD2-CG 4.07Å; W138-E142 HydrophobicContact CH2-CB 4.37Å; W138-E142 HydrophobicContact CH2-CG 4.13Å; W138-E142 HydrophobicContact CZ2-CB 4.32Å; W138-E142 HydrophobicContact CZ2-CG 3.6Å; W138-E142 PolarHBondContact O-N 2.87Å; A139-E142 CarbonylContact O-C 3.54Å; A139-E142 PolarHBondContact O-N 3.43Å; K140-E142 VanDerWaalsContact C-N 3.33Å; E142-V144 HydrophobicContact CB-CG2 4Å; E142-V144 PolarHBondContact O-N 2.8Å
143K96.3Very high97.7Very high195 Ų19565.9 Ų65.985%0.84831%0.309SS*.THydrogen-bonded Turntrans56.236.7-178.3-55.1175.7-176.5174.10112.9A139 K140 N141A139-K143 PolarHBondContact O-N 2.93Å; K140-K143 PolarHBondContact O-N 2.9Å; N141-K143 PolarHBondContact O-N 2.97Å
144V97.3Very high97.5Very high18 Ų1865.5 Ų65.511%0.10930%0.299CS..  trans-116156.9174.1-64.30000109.9K101 I115 V117 W138 A139 E142K101-V144 HydrophobicContact CD-CG1 4.36Å; K101-V144 VanDerWaalsContact CE-CG1 3.46Å; I115-V144 HydrophobicContact CB-CG1 4.01Å; I115-V144 HydrophobicContact CG2-CG1 4.05Å; V117-V144 HydrophobicContact CG2-CB 4.31Å; V117-V144 HydrophobicContact CG2-CG2 3.8Å; W138-V144 HydrophobicContact CH2-CG2 4.29Å; W138-V144 HydrophobicContact CZ3-CG2 3.93Å; A139-V144 CarbonylContact C-O 3.56Å; A139-V144 HydrophobicContact CB-CG2 4.12Å; A139-V144 PolarHBondContact O-N 2.92Å; A139-V144 VanDerWaalsContact O-O 3.07Å; E142-V144 HydrophobicContact CB-CG2 4Å; E142-V144 PolarHBondContact O-N 2.8Å
145R98.3Very high97.4Very high142 Ų14268.9 Ų68.954%0.53631%0.311SS..EExtended strand (participates in β ladder)trans-93.4136.6171.3-68.2-162.6-179.5-164.2-1.6110.3V117 W147 H163V117-R145 PolarHBondContact N-O 2.89Å; R145-W147 HydrophobicContact CB-CE3 4.11Å; R145-W147 HydrophobicContact CB-CH2 3.29Å; R145-W147 HydrophobicContact CB-CZ2 4.13Å; R145-W147 HydrophobicContact CB-CZ3 3.26Å; R145-W147 HydrophobicContact CG-CH2 4.05Å; R145-W147 HydrophobicContact CG-CZ3 4.45Å; R145-H163 VanDerWaalsContact CD-CE1 3.49Å; R145-H163 WeakPolarHBondContact CD-CE1 3.42Å; R145-H163 WeakPolarHBondContact CD-NE2 3.33Å; R145-H163 VanDerWaalsContact CZ-CE1 3.41Å; R145-H163 PolarHBondContact NE-CE1 3.11Å; R145-H163 VanDerWaalsContact NE-CE1 3.32Å
146L98.8Very high97.3Very high9 Ų970.5 Ų70.55%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-121.9129.4179.4-174.4156.9000109.9Y86 V117 A135 Q136 A139 E148Y86-L146 HydrophobicContact CE1-CD1 3.84Å; Y86-L146 HydrophobicContact CE1-CG 4.35Å; V117-L146 HydrophobicContact CB-CB 4.16Å; V117-L146 HydrophobicContact CB-CD1 4.27Å; V117-L146 HydrophobicContact CB-CG 4.11Å; V117-L146 HydrophobicContact CG1-CD1 3.87Å; V117-L146 HydrophobicContact CG1-CG 4.05Å; V117-L146 VanDerWaalsContact O-CA 3.3Å; V117-L146 WeakPolarHBondContact O-CA 3.39Å; A135-L146 HydrophobicContact CB-CD1 4.08Å; Q136-L146 PolarHBondContact NE2-O 2.85Å; A139-L146 HydrophobicContact CB-CB 3.54Å; A139-L146 HydrophobicContact CB-CD1 4.08Å; A139-L146 HydrophobicContact CB-CG 4.49Å; L146-E148 HydrophobicContact CD2-CG 4.13Å
147W98.8Very high97.3Very high56 Ų5666.4 Ų66.421%0.21230%0.302CS..EExtended strand (participates in β ladder)trans-118135.8169.3-67.3-100.9000109.4I116 V117 L118 G119 R145 V149 P160 H163I116-W147 HydrophobicContact CB-CZ3 3.93Å; I116-W147 HydrophobicContact CG2-CH2 4.37Å; I116-W147 HydrophobicContact CG2-CZ3 3.8Å; V117-W147 PolarHBondContact O-N 3.46Å; L118-W147 CarbonylContact C-O 3.35Å; L118-W147 WeakPolarHBondContact CA-O 2.88Å; L118-W147 HydrophobicContact CD2-CB 4.35Å; G119-W147 PolarHBondContact N-O 2.82Å; R145-W147 HydrophobicContact CB-CE3 4.11Å; R145-W147 HydrophobicContact CB-CH2 3.29Å; R145-W147 HydrophobicContact CB-CZ2 4.13Å; R145-W147 HydrophobicContact CB-CZ3 3.26Å; R145-W147 HydrophobicContact CG-CH2 4.05Å; R145-W147 HydrophobicContact CG-CZ3 4.45Å; W147-V149 HydrophobicContact CB-CG1 3.92Å; W147-P160 HydrophobicContact CB-CG 3.79Å; W147-P160 HydrophobicContact CD2-CB 3.93Å; W147-P160 HydrophobicContact CD2-CG 3.83Å; W147-P160 HydrophobicContact CE3-CB 3.85Å; W147-P160 HydrophobicContact CE3-CG 4.24Å; W147-P160 HydrophobicContact CG-CB 4.25Å; W147-P160 HydrophobicContact CG-CG 3.63Å; W147-P160 HydrophobicContact CZ3-CB 4.3Å; W147-H163 HydrophobicContact CH2-CB 3.86Å; W147-H163 AromaticContact CH2-CD2 3.59Å; W147-H163 AromaticContact CH2-CG 3.66Å; W147-H163 HydrophobicContact CZ2-CB 4.11Å
148E98.7Very high97.2Very high39 Ų3964.8 Ų64.818%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-86.1131.4162.2-62.4-170144.600108.6I88 G119 L122 R128 L146I88-E148 HydrophobicContact CG2-CG 4.28Å; I88-E148 WeakPolarHBondContact CG2-OE1 3.42Å; G119-E148 CarbonylContact O-C 3.53Å; G119-E148 WeakPolarHBondContact O-CA 3.36Å; L122-E148 HydrophobicContact CD1-CB 3.98Å; L122-E148 HydrophobicContact CD2-CB 4.32Å; R128-E148 IonicContact CZ-OE1 2.8Å; R128-E148 IonicContact CZ-OE2 3.61Å; R128-E148 IonicContact NH1-OE1 3.14Å; R128-E148 PolarHBondContact NH1-OE1 3.47Å; R128-E148 IonicContact NH1-OE2 2.82Å; R128-E148 PolarHBondContact NH1-OE2 3.12Å; R128-E148 IonicContact NH2-OE1 3.52Å; R128-E148 PolarHBondContact NH2-OE1 3.23Å; R128-E148 IonicContact NH2-OE2 2.75Å; R128-E148 PolarHBondContact NH2-OE2 3.01Å; L146-E148 HydrophobicContact CD2-CG 4.13Å
149V98.6Very high97.1Very high0 Ų069 Ų690%032%0.317CS..  trans-136.3160.5-169.6-57.60000110.5L118 G119 N120 K121 L122 W147 T156 L157 P160L118-V149 HydrophobicContact CB-CG2 4.13Å; L118-V149 HydrophobicContact CD2-CG1 4.11Å; G119-V149 PolarHBondContact O-N 2.87Å; N120-V149 CarbonylContact C-O 3.17Å; N120-V149 VanDerWaalsContact CA-O 3.32Å; N120-V149 WeakPolarHBondContact CA-O 3.1Å; N120-V149 HydrophobicContact CB-CG2 4.23Å; N120-V149 PolarHBondContact OD1-O 2.81Å; K121-V149 PolarHBondContact N-O 3.2Å; L122-V149 VanDerWaalsContact CB-O 3.23Å; L122-V149 WeakPolarHBondContact CB-O 3.31Å; L122-V149 PolarHBondContact N-O 2.7Å; W147-V149 HydrophobicContact CB-CG1 3.92Å; V149-T156 VanDerWaalsContact CG1-O 3.26Å; V149-T156 WeakPolarHBondContact CG1-O 3.22Å; V149-L157 HydrophobicContact CB-CD2 3.75Å; V149-L157 HydrophobicContact CG1-CD2 4.27Å; V149-L157 HydrophobicContact CG2-CD2 3.73Å; V149-P160 HydrophobicContact CG1-CG 4.14Å
150S97Very high97.1Very high5 Ų568.9 Ų68.94%0.03532%0.316CS..  trans-131.2131.3170.1175.10000109.5D123 V152 D153 T156D123-S150 WeakPolarHBondContact OD1-CB 3.26Å; D123-S150 PolarHBondContact OD1-OG 3.08Å; S150-V152 PolarHBondContact O-N 3.38Å; S150-V152 WeakPolarHBondContact OG-CB 3.31Å; S150-V152 PolarHBondContact OG-N 3.07Å; S150-D153 CarbonylContact O-C 3.55Å; S150-D153 PolarHBondContact O-N 3.27Å; S150-D153 VanDerWaalsContact O-N 3.11Å; S150-T156 PolarHBondContact N-OG1 2.97Å; S150-T156 PolarHBondContact O-OG1 3.23Å; S150-T156 VanDerWaalsContact O-OG1 3.14Å
151V95.4Very high97.1Very high13 Ų1361.4 Ų61.48%0.07928%0.284CS..SBendtrans-64.6-20.8169.2-62.60000112.1A19 V20 Q23 D153A19-V151 HydrophobicContact CB-CB 4.47Å; A19-V151 HydrophobicContact CB-CG1 3.97Å; V20-V151 HydrophobicContact CB-CG1 4.37Å; V20-V151 HydrophobicContact CG2-CG1 3.64Å; Q23-V151 VanDerWaalsContact CG-O 3.23Å; Q23-V151 WeakPolarHBondContact CG-O 3.26Å; Q23-V151 PolarHBondContact NE2-O 3.39Å; V151-D153 VanDerWaalsContact C-N 3.35Å
152V93.5Very high97Very high82 Ų8256.8 Ų56.850%0.49726%0.26SS..SBendtrans-72.7-32.5173.8-170.80000110.7A31 D123 S150A31-V152 HydrophobicContact CB-CG2 4.07Å; D123-V152 HydrophobicContact CB-CG2 4.44Å; S150-V152 PolarHBondContact O-N 3.38Å; S150-V152 WeakPolarHBondContact OG-CB 3.31Å; S150-V152 PolarHBondContact OG-N 3.07Å
153D94.8Very high97Very high48 Ų4856 Ų5626%0.25726%0.257SS..SBendtrans-110.387.8173.4-171.5-5.5000111.6S150 V151 R155 T156S150-D153 CarbonylContact O-C 3.55Å; S150-D153 PolarHBondContact O-N 3.27Å; S150-D153 VanDerWaalsContact O-N 3.11Å; V151-D153 VanDerWaalsContact C-N 3.35Å; D153-R155 PolarHBondContact O-N 3.37Å; D153-R155 VanDerWaalsContact OD1-CB 3.31Å; D153-R155 WeakPolarHBondContact OD1-CB 3.38Å; D153-R155 IonicContact OD1-CZ 2.73Å; D153-R155 PolarHBondContact OD1-N 3.46Å; D153-R155 VanDerWaalsContact OD1-N 3.14Å; D153-R155 IonicContact OD1-NE 3.44Å; D153-R155 PolarHBondContact OD1-NE 2.81Å; D153-R155 IonicContact OD1-NH2 3.38Å; D153-R155 PolarHBondContact OD1-NH2 2.56Å; D153-R155 IonicContact OD2-CZ 3.97Å; D153-R155 IonicContact OD2-NE 3.45Å; D153-R155 PolarHBondContact OD2-NE 3.13Å; D153-R155 IonicContact OD2-NH2 3.49Å; D153-R155 PolarHBondContact OD2-NH2 2.8Å; D153-T156 HydrophobicContact CB-CG2 4.01Å; D153-T156 WeakPolarHBondContact O-CB 3.38Å; D153-T156 PolarHBondContact O-N 2.91Å; D153-T156 PolarHBondContact O-OG1 3.02Å
154R94.7Very high97Very high103 Ų10346.9 Ų46.939%0.38922%0.217SC..G310 helixtrans-50.2-29.2179.4-177.1175.3179.4-113.4-2.8113.8Q23 L24 T156 L157Q23-R154 HydrophobicContact CG-CB 3.99Å; Q23-R154 HydrophobicContact CG-CG 4.17Å; Q23-R154 VanDerWaalsContact O-CD 3.25Å; Q23-R154 WeakPolarHBondContact O-CD 3.42Å; Q23-R154 PolarHBondContact O-NE 3.03Å; L24-R154 PolarHBondContact O-NE 3.08Å; L24-R154 PolarHBondContact O-NH2 3.14Å; R154-T156 PolarHBondContact O-N 3.48Å; R154-L157 WeakPolarHBondContact O-CB 3.44Å; R154-L157 PolarHBondContact O-N 3.18Å
155R96.2Very high96.8Very high194 Ų19446.1 Ų46.173%0.73221%0.212SC*.G310 helixtrans-61.5-33.3-179.1-60171.1-64.3177.95.1111.5D153 L157 I158D153-R155 PolarHBondContact O-N 3.37Å; D153-R155 VanDerWaalsContact OD1-CB 3.31Å; D153-R155 WeakPolarHBondContact OD1-CB 3.38Å; D153-R155 IonicContact OD1-CZ 2.73Å; D153-R155 PolarHBondContact OD1-N 3.46Å; D153-R155 VanDerWaalsContact OD1-N 3.14Å; D153-R155 IonicContact OD1-NE 3.44Å; D153-R155 PolarHBondContact OD1-NE 2.81Å; D153-R155 IonicContact OD1-NH2 3.38Å; D153-R155 PolarHBondContact OD1-NH2 2.56Å; D153-R155 IonicContact OD2-CZ 3.97Å; D153-R155 IonicContact OD2-NE 3.45Å; D153-R155 PolarHBondContact OD2-NE 3.13Å; D153-R155 IonicContact OD2-NH2 3.49Å; D153-R155 PolarHBondContact OD2-NH2 2.8Å; R155-L157 PolarHBondContact O-N 3.28Å; R155-I158 PolarHBondContact O-N 2.87Å
156T97.7Very high96.6Very high33 Ų3339.5 Ų39.520%0.20219%0.188CC..G310 helixtrans-65.3-20.5177.168.30000113V149 S150 D153 R154 P160V149-T156 VanDerWaalsContact CG1-O 3.26Å; V149-T156 WeakPolarHBondContact CG1-O 3.22Å; S150-T156 PolarHBondContact N-OG1 2.97Å; S150-T156 PolarHBondContact O-OG1 3.23Å; S150-T156 VanDerWaalsContact O-OG1 3.14Å; D153-T156 HydrophobicContact CB-CG2 4.01Å; D153-T156 WeakPolarHBondContact O-CB 3.38Å; D153-T156 PolarHBondContact O-N 2.91Å; D153-T156 PolarHBondContact O-OG1 3.02Å; R154-T156 PolarHBondContact O-N 3.48Å; T156-P160 WeakPolarHBondContact O-CD 3.47Å
157L97.8Very high96.3Very high0 Ų043.4 Ų43.40%020%0.204CC..G310 helixtrans-87.2-14.2179.6-55.5176.1000113.3V20 Q23 L24 V149 R154 R155 F161V20-L157 HydrophobicContact CG1-CD2 4.17Å; V20-L157 HydrophobicContact CG2-CD2 4.19Å; Q23-L157 HydrophobicContact CB-CD1 3.85Å; Q23-L157 HydrophobicContact CG-CD1 3.8Å; L24-L157 HydrophobicContact CB-CD1 4.44Å; L24-L157 HydrophobicContact CD1-CB 4.08Å; V149-L157 HydrophobicContact CB-CD2 3.75Å; V149-L157 HydrophobicContact CG1-CD2 4.27Å; V149-L157 HydrophobicContact CG2-CD2 3.73Å; R154-L157 WeakPolarHBondContact O-CB 3.44Å; R154-L157 PolarHBondContact O-N 3.18Å; R155-L157 PolarHBondContact O-N 3.28Å; L157-F161 WeakPolarHBondContact O-CD2 3.48Å
158I96.6Very high95.9Very high61 Ų6142.3 Ų42.331%0.31320%0.202SC..Hα-helixtrans-71.9-58.2-172.4-56.6-56.3000111.1L24 R155 P160 F161 V162L24-I158 HydrophobicContact CD1-CD1 4.1Å; R155-I158 PolarHBondContact O-N 2.87Å; I158-P160 VanDerWaalsContact C-CD 3.47Å; I158-F161 PolarHBondContact O-N 3.38Å; I158-F161 VanDerWaalsContact O-N 3.16Å; I158-V162 HydrophobicContact CG2-CG2 3.96Å; I158-V162 WeakPolarHBondContact O-CG2 3.28Å; I158-V162 PolarHBondContact O-N 3.29Å
159D97.5Very high95.2Very high111 Ų11142 Ų4259%0.59420%0.203SC*.Hα-helixtrans-57.1-42-174.7-66.6-10.3000114.7F161 H163D159-F161 VanDerWaalsContact C-N 3.32Å; D159-F161 PolarHBondContact O-N 2.58Å; D159-H163 VanDerWaalsContact O-CB 3.3Å; D159-H163 WeakPolarHBondContact O-CB 3.35Å; D159-H163 PolarHBondContact O-N 3.29Å
160P98.3Very high94.1Very high0 Ų046 Ų460%022%0.222CC..Hα-helixtrans-59.5-41.8177.4-20.529.4000112.9I116 L118 W147 V149 T156 I158 H163 L164I116-P160 HydrophobicContact CD1-CB 3.96Å; I116-P160 WeakPolarHBondContact CD1-O 3.43Å; L118-P160 HydrophobicContact CD2-CB 3.63Å; L118-P160 HydrophobicContact CD2-CG 3.91Å; W147-P160 HydrophobicContact CB-CG 3.79Å; W147-P160 HydrophobicContact CD2-CB 3.93Å; W147-P160 HydrophobicContact CD2-CG 3.83Å; W147-P160 HydrophobicContact CE3-CB 3.85Å; W147-P160 HydrophobicContact CE3-CG 4.24Å; W147-P160 HydrophobicContact CG-CB 4.25Å; W147-P160 HydrophobicContact CG-CG 3.63Å; W147-P160 HydrophobicContact CZ3-CB 4.3Å; V149-P160 HydrophobicContact CG1-CG 4.14Å; T156-P160 WeakPolarHBondContact O-CD 3.47Å; I158-P160 VanDerWaalsContact C-CD 3.47Å; P160-H163 PolarHBondContact O-N 2.85Å; P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 PolarHBondContact O-N 3.14Å
161F97.6Very high92.5Very high3 Ų350.8 Ų50.81%0.01325%0.253CS..Hα-helixtrans-81.1-32.7-176-75.6-97.2000112.4V20 L21 L24 F59 V83 L118 L157 I158 D159 H163 L164 A165V20-F161 HydrophobicContact CG1-CE2 3.82Å; V20-F161 HydrophobicContact CG1-CZ 3.67Å; L21-F161 HydrophobicContact CD2-CE1 4.25Å; L21-F161 HydrophobicContact CD2-CZ 4.47Å; L24-F161 HydrophobicContact CD1-CB 4.33Å; L24-F161 HydrophobicContact CD1-CD2 4.23Å; L24-F161 HydrophobicContact CD1-CG 4.3Å; L24-F161 HydrophobicContact CD2-CB 3.92Å; L24-F161 HydrophobicContact CD2-CD1 3.31Å; L24-F161 HydrophobicContact CD2-CD2 3.68Å; L24-F161 HydrophobicContact CD2-CE1 3.58Å; L24-F161 HydrophobicContact CD2-CE2 3.9Å; L24-F161 HydrophobicContact CD2-CG 3.35Å; L24-F161 HydrophobicContact CD2-CZ 3.85Å; L24-F161 HydrophobicContact CG-CG 4.46Å; F59-F161 HydrophobicContact CD1-CE1 4.21Å; F59-F161 AromaticContact CE1-CD1 3.65Å; F59-F161 HydrophobicContact CE1-CD1 3.65Å; F59-F161 AromaticContact CE1-CE1 3.55Å; F59-F161 HydrophobicContact CE1-CE1 3.55Å; F59-F161 AromaticContact CZ-CD1 3.75Å; F59-F161 HydrophobicContact CZ-CD1 3.75Å; F59-F161 HydrophobicContact CZ-CE1 4Å; V83-F161 HydrophobicContact CG1-CZ 4.47Å; V83-F161 HydrophobicContact CG2-CE1 4.21Å; V83-F161 HydrophobicContact CG2-CZ 4.49Å; L118-F161 HydrophobicContact CD1-CE2 3.81Å; L118-F161 HydrophobicContact CD1-CZ 4.11Å; L157-F161 WeakPolarHBondContact O-CD2 3.48Å; I158-F161 PolarHBondContact O-N 3.38Å; I158-F161 VanDerWaalsContact O-N 3.16Å; D159-F161 VanDerWaalsContact C-N 3.32Å; D159-F161 PolarHBondContact O-N 2.58Å; F161-H163 VanDerWaalsContact C-N 3.34Å; F161-L164 HydrophobicContact CD1-CD2 4.45Å; F161-L164 PolarHBondContact O-N 2.99Å; F161-A165 WeakPolarHBondContact O-CB 3.4Å; F161-A165 PolarHBondContact O-N 3.45Å
162V96.6Very high90.5Very high30 Ų3057.2 Ų57.218%0.18228%0.282CS..Hα-helixtrans-59.6-47.6166.9173.50000109.8I47 E48 D50 I158 L164 A165 S166I47-V162 HydrophobicContact CG2-CG2 4.32Å; E48-V162 WeakPolarHBondContact O-CG2 3.43Å; D50-V162 HydrophobicContact CB-CG1 4.46Å; I158-V162 HydrophobicContact CG2-CG2 3.96Å; I158-V162 WeakPolarHBondContact O-CG2 3.28Å; I158-V162 PolarHBondContact O-N 3.29Å; V162-L164 PolarHBondContact O-N 3.32Å; V162-A165 PolarHBondContact O-N 2.92Å; V162-S166 WeakPolarHBondContact O-CB 3.22Å; V162-S166 PolarHBondContact O-N 3.02Å; V162-S166 PolarHBondContact O-OG 3.14Å
163H96.4Very high88.2Confident35 Ų3558.6 Ų58.616%0.16230%0.295CS..Hα-helixtrans-58.4-47.1176.9-179.781.4000112.4R145 W147 D159 P160 F161 S166 K167R145-H163 VanDerWaalsContact CD-CE1 3.49Å; R145-H163 WeakPolarHBondContact CD-CE1 3.42Å; R145-H163 WeakPolarHBondContact CD-NE2 3.33Å; R145-H163 VanDerWaalsContact CZ-CE1 3.41Å; R145-H163 PolarHBondContact NE-CE1 3.11Å; R145-H163 VanDerWaalsContact NE-CE1 3.32Å; W147-H163 HydrophobicContact CH2-CB 3.86Å; W147-H163 AromaticContact CH2-CD2 3.59Å; W147-H163 AromaticContact CH2-CG 3.66Å; W147-H163 HydrophobicContact CZ2-CB 4.11Å; D159-H163 VanDerWaalsContact O-CB 3.3Å; D159-H163 WeakPolarHBondContact O-CB 3.35Å; D159-H163 PolarHBondContact O-N 3.29Å; P160-H163 PolarHBondContact O-N 2.85Å; F161-H163 VanDerWaalsContact C-N 3.34Å; H163-S166 PolarHBondContact O-N 2.92Å; H163-K167 WeakPolarHBondContact O-CB 3.25Å; H163-K167 WeakPolarHBondContact O-CG 3.43Å; H163-K167 PolarHBondContact O-N 3.03Å
164L96Very high85.6Confident2 Ų265.1 Ų65.11%0.0132%0.321CS..Hα-helixtrans-57.7-51.5177.9178.266.2000111.2V7 F59 V83 T114 I116 P160 F161 V162 K167 M168V7-L164 HydrophobicContact CG1-CD2 3.89Å; V7-L164 HydrophobicContact CG2-CD2 3.95Å; F59-L164 HydrophobicContact CE1-CD2 4.44Å; V83-L164 HydrophobicContact CG2-CD2 3.66Å; T114-L164 HydrophobicContact CG2-CD1 3.65Å; I116-L164 HydrophobicContact CD1-CB 4.06Å; I116-L164 HydrophobicContact CD1-CD2 4.19Å; I116-L164 HydrophobicContact CG1-CD1 4.35Å; I116-L164 HydrophobicContact CG1-CD2 4.43Å; I116-L164 HydrophobicContact CG2-CB 4.32Å; I116-L164 HydrophobicContact CG2-CD1 4.29Å; P160-L164 WeakPolarHBondContact O-CB 3.23Å; P160-L164 PolarHBondContact O-N 3.14Å; F161-L164 HydrophobicContact CD1-CD2 4.45Å; F161-L164 PolarHBondContact O-N 2.99Å; V162-L164 PolarHBondContact O-N 3.32Å; L164-K167 PolarHBondContact O-N 3.34Å; L164-M168 HydrophobicContact CD1-CE 4.33Å; L164-M168 HydrophobicContact CD1-CG 4.46Å; L164-M168 HydrophobicContact CD1-SD 4.14Å; L164-M168 HydrophobicContact CD2-CE 4.47Å; L164-M168 HydrophobicContact CG-CE 3.85Å; L164-M168 HydrophobicContact CG-SD 4.31Å; L164-M168 WeakPolarHBondContact O-CG 3.11Å; L164-M168 PolarHBondContact O-N 2.95Å
165A94.3Very high83.1Confident2 Ų265.3 Ų65.32%0.01734%0.336CS..Hα-helixtrans-60-49.3179.200000111.6I47 T49 E55 F161 V162 K167 M168 T169I47-A165 HydrophobicContact CB-CB 4.06Å; I47-A165 HydrophobicContact CG2-CB 3.85Å; T49-A165 HydrophobicContact CG2-CB 4.03Å; E55-A165 HydrophobicContact CB-CB 4.44Å; F161-A165 WeakPolarHBondContact O-CB 3.4Å; F161-A165 PolarHBondContact O-N 3.45Å; V162-A165 PolarHBondContact O-N 2.92Å; A165-K167 VanDerWaalsContact C-N 3.29Å; A165-K167 PolarHBondContact O-N 3.2Å; A165-M168 PolarHBondContact O-N 2.75Å; A165-T169 PolarHBondContact O-N 3.49Å; A165-T169 PolarHBondContact O-OG1 3.44Å
166S93.1Very high80.8Confident3 Ų362.6 Ų62.62%0.02134%0.341CS..Hα-helixtrans-59-39.3178.8-68.20000112.5T49 D50 V162 H163 Q170T49-S166 VanDerWaalsContact CB-OG 3.28Å; T49-S166 WeakPolarHBondContact CB-OG 3.32Å; D50-S166 WeakPolarHBondContact OD1-CB 3.18Å; D50-S166 PolarHBondContact OD1-OG 2.96Å; V162-S166 WeakPolarHBondContact O-CB 3.22Å; V162-S166 PolarHBondContact O-N 3.02Å; V162-S166 PolarHBondContact O-OG 3.14Å; H163-S166 PolarHBondContact O-N 2.92Å; S166-Q170 VanDerWaalsContact O-CG 3.25Å; S166-Q170 WeakPolarHBondContact O-CG 3.48Å; S166-Q170 PolarHBondContact O-N 2.85Å; S166-Q170 VanDerWaalsContact O-N 3.15Å
167K92.4Very high78.7Confident91 Ų9169.5 Ų69.540%0.39637%0.368SS..Hα-helixtrans-71.7-38179.5-80.1-67.6178.5-169.70113.4T114 H163 L164 A165 T169T114-K167 HydrophobicContact CG2-CB 3.7Å; H163-K167 WeakPolarHBondContact O-CB 3.25Å; H163-K167 WeakPolarHBondContact O-CG 3.43Å; H163-K167 PolarHBondContact O-N 3.03Å; L164-K167 PolarHBondContact O-N 3.34Å; A165-K167 VanDerWaalsContact C-N 3.29Å; A165-K167 PolarHBondContact O-N 3.2Å; K167-T169 VanDerWaalsContact C-N 3.26Å; K167-T169 PolarHBondContact O-N 2.86Å
168M90.2Very high76.5Confident34 Ų3475.4 Ų75.417%0.16741%0.407CS..Hα-helixtrans-69.3-24.5178.1-69.2-176-55.200113.1C5 V7 V57 D80 T114 L164 A165C5-M168 HydrophobicContact CB-CE 3.79Å; C5-M168 HydrophobicContact CB-SD 4.14Å; V7-M168 HydrophobicContact CG2-CE 3.66Å; V7-M168 HydrophobicContact CG2-SD 3.68Å; V57-M168 HydrophobicContact CG1-CE 4.43Å; V57-M168 HydrophobicContact CG2-CE 4.39Å; D80-M168 HydrophobicContact CB-SD 4.36Å; T114-M168 HydrophobicContact CG2-CG 4.45Å; L164-M168 HydrophobicContact CD1-CE 4.33Å; L164-M168 HydrophobicContact CD1-CG 4.46Å; L164-M168 HydrophobicContact CD1-SD 4.14Å; L164-M168 HydrophobicContact CD2-CE 4.47Å; L164-M168 HydrophobicContact CG-CE 3.85Å; L164-M168 HydrophobicContact CG-SD 4.31Å; L164-M168 WeakPolarHBondContact O-CG 3.11Å; L164-M168 PolarHBondContact O-N 2.95Å; A165-M168 PolarHBondContact O-N 2.75Å
169T84.3Confident74.3Confident32 Ų3280.7 Ų80.720%0.19644%0.435CS..THydrogen-bonded Turntrans-11413.9-176.675.60000114.1R51 E55 A165 K167 P171R51-T169 PolarHBondContact NH2-O 3.32Å; R51-T169 PolarHBondContact NH2-OG1 2.82Å; E55-T169 HydrophobicContact CG-CG2 3.84Å; E55-T169 WeakPolarHBondContact OE1-CB 3.28Å; E55-T169 WeakPolarHBondContact OE1-CG2 3.41Å; E55-T169 PolarHBondContact OE1-OG1 3.45Å; A165-T169 PolarHBondContact O-N 3.49Å; A165-T169 PolarHBondContact O-OG1 3.44Å; K167-T169 VanDerWaalsContact C-N 3.26Å; K167-T169 PolarHBondContact O-N 2.86Å; T169-P171 WeakPolarHBondContact O-CD 3.49Å
170Q76.8Confident72.1Confident84 Ų8480.9 Ų80.939%0.39345%0.445SS..SBendtrans-69.4123.7167.4-92.9165.633.400109.2S166 Q172S166-Q170 VanDerWaalsContact O-CG 3.25Å; S166-Q170 WeakPolarHBondContact O-CG 3.48Å; S166-Q170 PolarHBondContact O-N 2.85Å; S166-Q170 VanDerWaalsContact O-N 3.15Å; Q170-Q172 PolarHBondContact O-N 2.83Å
171P62.2Low69.6Low106 Ų10691.5 Ų91.569%0.68849%0.485SS*.PPolyproline II helixtrans-58.7126.3170.3-17.428.9000108.4T169 S173T169-P171 WeakPolarHBondContact O-CD 3.49Å; P171-S173 PolarHBondContact O-N 3.17Å
172Q53.3Low67.3Low147 Ų14798.5 Ų98.569%0.68752%0.522SS*.PPolyproline II helixtrans-56.2117.4169-67-126.5-22.400107.3E112 Q170 K174E112-Q172 PolarHBondContact OE2-NE2 3.32Å; Q170-Q172 PolarHBondContact O-N 2.83Å; Q172-K174 PolarHBondContact O-N 3.45Å
173S46.6Very low65Low112 Ų112105.3 Ų105.378%0.78355%0.55SS*.  trans-56.9108.4175.951.90000107.6P171P171-S173 PolarHBondContact O-N 3.17Å
174K38.8Very low62.6Low185 Ų185111.2 Ų111.280%0.80458%0.583SS**  trans-55.1131.7168-70.9-175.1179179.80106.5Q172 T176Q172-K174 PolarHBondContact O-N 3.45Å; K174-T176 PolarHBondContact O-N 3.2Å
175P42.7Very low60.4Low106 Ų106120.7 Ų120.769%0.68862%0.623SS**  trans-55119.5170.822.2-30000107.1F177P175-F177 PolarHBondContact O-N 3.11Å
176T47.2Very low58Low137 Ų137123.8 Ų123.884%0.8466%0.656SS**  trans-65.5102.7175.3-36.80000105.8K174 P178K174-T176 PolarHBondContact O-N 3.2Å; T176-P178 WeakPolarHBondContact O-CD 3.36Å
177F54.2Low55.8Low178 Ų178129.8 Ų129.878%0.78170%0.698SS**  trans-56.7126.5171.3-79.7-86.8000107.6P175 L179P175-F177 PolarHBondContact O-N 3.11Å; F177-L179 PolarHBondContact O-N 2.85Å
178P51.2Low53.2Low125 Ų125129.2 Ų129.281%0.81272%0.718SS**  trans-63.7114.3172.524-29.1000107.7T176 S180T176-P178 WeakPolarHBondContact O-CD 3.36Å; P178-S180 PolarHBondContact O-N 3.36Å
179L49.9Very low51.1Low172 Ų172133 Ų13390%0.90175%0.748SS**  trans-60.8110171.8-78.4161.9000108F177 R181F177-L179 PolarHBondContact O-N 2.85Å; L179-R181 PolarHBondContact O-N 3.18Å; L179-R181 VanDerWaalsContact O-N 3.12Å
180S53.1Low49.2Very low115 Ų115138.3 Ų138.380%0.80478%0.78SS**  trans-61.4114.3169.8-174.30000108.6P178 N182P178-S180 PolarHBondContact O-N 3.36Å; S180-N182 PolarHBondContact O-N 3.07Å
181R45.7Very low47.7Very low223 Ų223141.8 Ų141.884%0.84280%0.802SS**  trans-71.198.8179.1-175.1174.8168.7178.2-2.3108.7L179 K183L179-R181 PolarHBondContact O-N 3.18Å; L179-R181 VanDerWaalsContact O-N 3.12Å; R181-K183 PolarHBondContact O-N 3.24Å; R181-K183 VanDerWaalsContact O-N 3.08Å
182N47.9Very low46.9Very low149 Ų149146.2 Ų146.280%0.79784%0.835SS**  trans-62.2108.2172.2-125.713000109.3S180 N184S180-N182 PolarHBondContact O-N 3.07Å; N182-N184 PolarHBondContact O-N 3.05Å
183K49.6Very low46.6Very low174 Ų174146.2 Ų146.276%0.75784%0.842SS**  trans-79.492.4168-89.1-177.2176.51740108.3R181 K185R181-K183 PolarHBondContact O-N 3.24Å; R181-K183 VanDerWaalsContact O-N 3.08Å; K183-K185 PolarHBondContact O-N 3.34Å
184N45.4Very low46.6Very low159 Ų159147.9 Ų147.985%0.8585%0.845SS**  trans-66.5106.2154.9-103.23.7000107.9N182N182-N184 PolarHBondContact O-N 3.05Å
185K48.6Very low47Very low200 Ų200145.9 Ų145.987%0.8785%0.848SS**  trans-95.3100.6157.9-87-171.1173.4-173.80107.2K183K183-K185 PolarHBondContact O-N 3.34Å
186G44.9Very low47.2Very low68 Ų68148.2 Ų148.270%0.70186%0.857SS**  trans-112.6120.5158.300000108.3
187S46.2Very low47.2Very low129 Ų129148.9 Ų148.990%0.90286%0.858SS**  trans168.1119.3140.3600000109.4
188G38.8Very low46.8Very low79 Ų79147 Ų14781%0.81486%0.863SS**  trans-17667.6173.700000110
189S46.3Very low46.5Very low113 Ų113148.6 Ų148.679%0.7987%0.867SS**  trans-63.3140.6162.649.20000110.7
190T44.5Very low46.2Very low144 Ų144146.8 Ų146.888%0.88386%0.864SS**  trans-157.9132.3138.322.20000109.7
191D45Very low45.6Very low157 Ų157149.4 Ų149.484%0.8487%0.869SS**  trans-54.1160.1170.4-75.7-53000114.5
192S44.5Very low45.6Very low198 Ų198142.7 Ų142.7100%1.38587%0.872SS**  trans1150154-43.10000114.5

Retrieved 192 of 192 residues in 136.4 ms (Link to these results)

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