A0A087X7M4_POEFO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A087X7M4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 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
1M39.5Very low75.1Confident248 Ų24897.6 Ų97.6100%1.22252%0.519SS*.  0110.90-64.8173.5173.400105.9
2S42.3Very low76.9Confident96 Ų9689.7 Ų89.767%0.67148%0.476SS*.  cis-153.3139.4-4.637.90000106.6G4S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.31Å
3D49.5Very low78.2Confident183 Ų18382.8 Ų82.898%0.97944%0.44SS*.SBendtrans-75.253.1-167.7-143.33.9000113.5
4G56.4Low79.5Confident61 Ų6177 Ų7763%0.62941%0.409SS*.  trans-175.633.5-173.400000118.7S2S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.31Å
5E79.6Confident80.4Confident102 Ų10271.9 Ų71.948%0.47738%0.382SS..SBendtrans-85.2-24.5-176.2-112.2-177149.400115.2R50E5-R50 VanDerWaalsContact CD-CZ 3.41Å; E5-R50 IonicContact OE1-CZ 3.08Å; E5-R50 VanDerWaalsContact OE1-CZ 3.27Å; E5-R50 IonicContact OE1-NH1 3.27Å; E5-R50 PolarHBondContact OE1-NH1 2.94Å; E5-R50 IonicContact OE1-NH2 3.36Å; E5-R50 PolarHBondContact OE1-NH2 2.83Å; E5-R50 IonicContact OE2-CZ 2.58Å; E5-R50 IonicContact OE2-NH1 2.79Å; E5-R50 IonicContact OE2-NH2 2.86Å; E5-R50 PolarHBondContact OE2-NH2 2.83Å
6Y87.8Confident81.3Confident94 Ų9467.4 Ų67.437%0.36936%0.358SS..  trans-152.5153.3-179.354.5-94.7000110.9Y8 L9 H69Y6-Y8 WeakPolarHBondContact CD2-O 3.28Å; Y6-L9 HydrophobicContact CD2-CB 4.44Å; Y6-L9 HydrophobicContact CE2-CB 3.76Å; Y6-H69 HydrophobicContact CD1-CB 3.63Å; Y6-H69 AromaticContact CD1-CG 3.96Å; Y6-H69 AromaticContact CD1-ND1 3.57Å; Y6-H69 HydrophobicContact CD2-CB 3.87Å; Y6-H69 HydrophobicContact CE1-CB 4.07Å; Y6-H69 AromaticContact CE1-ND1 3.31Å; Y6-H69 VanDerWaalsContact CE1-ND1 3.31Å; Y6-H69 WeakPolarHBondContact CE1-ND1 3.48Å; Y6-H69 HydrophobicContact CE2-CB 4.29Å; Y6-H69 HydrophobicContact CG-CB 3.52Å; Y6-H69 AromaticContact CZ-ND1 3.9Å
7D91.3Very high81.9Confident83 Ų8364.9 Ų64.944%0.44435%0.345SS..SBendtrans-84.2-36.5179.2-57.8-52.8000111.1Q66 K67D7-Q66 WeakPolarHBondContact OD2-CA 3.26Å; D7-K67 PolarHBondContact N-O 3.14Å; D7-K67 PolarHBondContact OD2-N 3.37Å
8Y93.8Very high82.5Confident86 Ų8664.1 Ų64.134%0.33735%0.345SS..EExtended strand (participates in β ladder)trans-134.4139.5179.5-58.7-87.9000111.9Y6 Q66 K67 I68 H69 M182Y6-Y8 WeakPolarHBondContact CD2-O 3.28Å; Y8-Q66 HydrophobicContact CD2-CB 4.25Å; Y8-Q66 HydrophobicContact CE2-CB 4.13Å; Y8-Q66 HydrophobicContact CE2-CG 4.12Å; Y8-K67 PolarHBondContact N-O 3.32Å; Y8-K67 VanDerWaalsContact N-O 3.15Å; Y8-I68 HydrophobicContact CD2-CD1 3.67Å; Y8-I68 HydrophobicContact CG-CD1 4.09Å; Y8-I68 WeakPolarHBondContact O-CA 3.44Å; Y8-H69 PolarHBondContact O-N 2.97Å; Y8-M182 HydrophobicContact CD2-CE 4.04Å; Y8-M182 HydrophobicContact CE2-CE 4.14Å; Y8-M182 HydrophobicContact CG-CE 4.44Å
9L94.8Very high83Confident62 Ų6262.1 Ų62.133%0.32534%0.342SS..EExtended strand (participates in β ladder)trans-100.5123164.6177.465.4000108.2Y6 H69 Q71Y6-L9 HydrophobicContact CD2-CB 4.44Å; Y6-L9 HydrophobicContact CE2-CB 3.76Å; L9-H69 WeakPolarHBondContact CA-O 3.33Å; L9-H69 HydrophobicContact CD1-CB 4.1Å; L9-H69 WeakPolarHBondContact CD1-O 3.23Å; L9-Q71 HydrophobicContact CD1-CG 3.91Å
10I95.8Very high83.6Confident0 Ų059.1 Ų59.10%033%0.325CS..EExtended strand (participates in β ladder)trans-125.5132.3-178.5-66.8-178.4000109.8F12 I68 H69 L70 Q71 M93 L178 I181 M182 M185I10-F12 HydrophobicContact CG2-CD1 3.85Å; I10-F12 HydrophobicContact CG2-CE1 3.15Å; I10-F12 HydrophobicContact CG2-CZ 3.68Å; I10-I68 HydrophobicContact CB-CG2 4.11Å; I10-I68 HydrophobicContact CD1-CD1 4.49Å; I10-I68 HydrophobicContact CD1-CG2 3.82Å; I10-I68 HydrophobicContact CG1-CG2 4.04Å; I10-H69 PolarHBondContact N-O 3.05Å; I10-L70 HydrophobicContact CB-CD2 3.98Å; I10-L70 HydrophobicContact CG2-CD2 4.02Å; I10-L70 CarbonylContact O-C 3.57Å; I10-L70 WeakPolarHBondContact O-CA 3.39Å; I10-Q71 PolarHBondContact O-N 3.29Å; I10-M93 HydrophobicContact CB-SD 4.23Å; I10-M93 HydrophobicContact CG1-CE 4.21Å; I10-M93 HydrophobicContact CG1-SD 4.17Å; I10-M93 HydrophobicContact CG2-SD 4.12Å; I10-L178 HydrophobicContact CD1-CD1 3.53Å; I10-I181 HydrophobicContact CD1-CG2 4.31Å; I10-I181 HydrophobicContact CG2-CG2 4.45Å; I10-M182 HydrophobicContact CD1-SD 3.35Å; I10-M182 WeakPolarHBondContact CD1-SD 3.41Å; I10-M185 HydrophobicContact CD1-SD 4.46Å
11K95.3Very high84.2Confident59 Ų5956.9 Ų56.926%0.25732%0.316SS..EExtended strand (participates in β ladder)trans-110.6117.6-176.1-63.3178.4179-179.10110.5Q71 D91 M93 G94K11-Q71 CarbonylContact C-O 3.55Å; K11-Q71 WeakPolarHBondContact CA-O 3.4Å; K11-Q71 HydrophobicContact CG-CB 4.13Å; K11-D91 WeakPolarHBondContact CD-O 3.44Å; K11-M93 PolarHBondContact O-N 3Å; K11-G94 PolarHBondContact O-N 3.48Å
12F96.3Very high86.9Confident2 Ų245.6 Ų45.61%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-107.5149.7170-59.4-21.3000111I10 L70 Q71 L72 W73 G94 V174 L177 L178 I181I10-F12 HydrophobicContact CG2-CD1 3.85Å; I10-F12 HydrophobicContact CG2-CE1 3.15Å; I10-F12 HydrophobicContact CG2-CZ 3.68Å; F12-L70 HydrophobicContact CD2-CD2 4.42Å; F12-L70 HydrophobicContact CE2-CD2 3.82Å; F12-L70 HydrophobicContact CZ-CD2 3.93Å; F12-Q71 PolarHBondContact N-O 3.02Å; F12-L72 HydrophobicContact CB-CD2 4.06Å; F12-L72 HydrophobicContact CD2-CD2 3.76Å; F12-L72 HydrophobicContact CG-CD2 4.33Å; F12-W73 WeakPolarHBondContact O-CB 3.19Å; F12-W73 PolarHBondContact O-N 3.16Å; F12-G94 VanDerWaalsContact CA-O 3.31Å; F12-G94 WeakPolarHBondContact CA-O 3.12Å; F12-V174 HydrophobicContact CD2-CG1 4.12Å; F12-V174 HydrophobicContact CE2-CG1 3.86Å; F12-L177 HydrophobicContact CB-CD2 4.34Å; F12-L177 HydrophobicContact CD1-CD2 3.93Å; F12-L177 HydrophobicContact CD1-CG 4.26Å; F12-L177 HydrophobicContact CD2-CD2 3.89Å; F12-L177 HydrophobicContact CD2-CG 4.47Å; F12-L177 HydrophobicContact CE1-CD2 4.24Å; F12-L177 HydrophobicContact CE1-CG 4.08Å; F12-L177 HydrophobicContact CE2-CB 4.47Å; F12-L177 HydrophobicContact CE2-CD2 4.16Å; F12-L177 HydrophobicContact CE2-CG 4.25Å; F12-L177 HydrophobicContact CG-CD2 3.79Å; F12-L177 HydrophobicContact CG-CG 4.49Å; F12-L177 HydrophobicContact CZ-CD2 4.34Å; F12-L177 HydrophobicContact CZ-CG 4.07Å; F12-L178 HydrophobicContact CE2-CB 4.34Å; F12-L178 HydrophobicContact CZ-CB 3.95Å; F12-L178 HydrophobicContact CZ-CD1 4.19Å; F12-I181 HydrophobicContact CD1-CD1 3.92Å; F12-I181 HydrophobicContact CE1-CD1 3.25Å; F12-I181 HydrophobicContact CZ-CD1 4.09Å
13L94.9Very high89.4Confident1 Ų143.6 Ų43.61%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-122.8124.2176.6-170.368.8000109.9L15 W73 T75 F88 F89 A92 G94 F95 L96L13-L15 HydrophobicContact CD2-CD1 4.34Å; L13-L15 HydrophobicContact CD2-CD2 3.79Å; L13-L15 HydrophobicContact CD2-CG 4.2Å; L13-L15 HydrophobicContact CG-CD2 3.95Å; L13-L15 HydrophobicContact CG-CG 4.18Å; L13-W73 HydrophobicContact CD1-CB 3.31Å; L13-W73 HydrophobicContact CD1-CG 4.31Å; L13-T75 HydrophobicContact CD1-CG2 3.34Å; L13-T75 HydrophobicContact CD2-CG2 4.29Å; L13-T75 HydrophobicContact CG-CG2 3.87Å; L13-F88 HydrophobicContact CD1-CB 4.38Å; L13-F88 HydrophobicContact CD2-CB 4.36Å; L13-F89 HydrophobicContact CD2-CD1 3.44Å; L13-F89 VanDerWaalsContact CD2-CD1 3.44Å; L13-F89 HydrophobicContact CD2-CE1 3.66Å; L13-A92 HydrophobicContact CB-CB 3.75Å; L13-A92 HydrophobicContact CD2-CB 4.4Å; L13-G94 PolarHBondContact N-O 3.08Å; L13-F95 HydrophobicContact CB-CD1 3.9Å; L13-F95 HydrophobicContact CB-CE1 4.14Å; L13-F95 HydrophobicContact CD2-CD1 4.15Å; L13-F95 HydrophobicContact CD2-CE1 3.9Å; L13-F95 WeakPolarHBondContact O-CA 3.39Å; L13-L96 PolarHBondContact O-N 2.87Å
14A95.6Very high91.6Very high1 Ų136.6 Ų36.61%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-84.2129.117100000110.2K22 L26 W73 T75 L96A14-K22 HydrophobicContact CB-CB 4.11Å; A14-K22 HydrophobicContact CB-CD 4.33Å; A14-K22 HydrophobicContact CB-CG 4.38Å; A14-L26 HydrophobicContact CB-CD1 3.92Å; A14-L26 HydrophobicContact CB-CD2 4.47Å; A14-L26 HydrophobicContact CB-CG 4.28Å; A14-W73 PolarHBondContact N-O 3.31Å; A14-T75 PolarHBondContact O-OG1 3.22Å; A14-L96 CarbonylContact C-O 3.55Å; A14-L96 WeakPolarHBondContact CA-O 3.09Å
15L93.2Very high93.6Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-130.9159.8-177.2-63.2177.2000111.6L13 K22 T75 T85 F89 F95 L96 L97 L98 W113 L117L13-L15 HydrophobicContact CD2-CD1 4.34Å; L13-L15 HydrophobicContact CD2-CD2 3.79Å; L13-L15 HydrophobicContact CD2-CG 4.2Å; L13-L15 HydrophobicContact CG-CD2 3.95Å; L13-L15 HydrophobicContact CG-CG 4.18Å; L15-K22 VanDerWaalsContact C-CD 3.44Å; L15-T75 HydrophobicContact CD2-CG2 3.99Å; L15-T85 HydrophobicContact CD2-CG2 4.07Å; L15-F89 HydrophobicContact CD1-CE1 3.93Å; L15-F89 HydrophobicContact CD1-CZ 3.88Å; L15-F89 HydrophobicContact CD2-CE1 3.52Å; L15-F89 HydrophobicContact CD2-CZ 3.86Å; L15-F89 HydrophobicContact CG-CE1 4.39Å; L15-F95 HydrophobicContact CD1-CD1 3.64Å; L15-F95 HydrophobicContact CD1-CE1 4.32Å; L15-F95 HydrophobicContact CD1-CG 4.42Å; L15-F95 HydrophobicContact CG-CD1 4.45Å; L15-L96 PolarHBondContact N-O 2.81Å; L15-L97 HydrophobicContact CB-CD1 4.01Å; L15-L98 PolarHBondContact O-N 3.47Å; L15-W113 HydrophobicContact CB-CE3 4.44Å; L15-W113 HydrophobicContact CD2-CZ3 4.36Å; L15-L117 HydrophobicContact CD1-CD1 4.09Å; L15-L117 HydrophobicContact CD1-CD2 3.47Å; L15-L117 VanDerWaalsContact CD1-CD2 3.47Å; L15-L117 HydrophobicContact CD1-CG 3.98Å
16G94.2Very high94.4Very high0 Ų028.9 Ų28.90%016%0.157CC..  trans133.9171.3-176.200000112.2K22 G77 L98 W113G16-K22 PolarHBondContact O-NZ 2.57Å; G16-G77 WeakPolarHBondContact O-CA 3.48Å; G16-L98 WeakPolarHBondContact CA-O 3.35Å; G16-W113 WeakPolarHBondContact O-CZ2 3.44Å
17D92.9Very high94.7Very high25 Ų2528.5 Ų28.513%0.13416%0.155CC..  trans-62.7164.7-175.2-73.37.4000113.1V20 K22 N109 W113D17-V20 HydrophobicContact CB-CG1 3.82Å; D17-V20 VanDerWaalsContact O-CG2 3.27Å; D17-V20 WeakPolarHBondContact O-CG2 3.08Å; D17-K22 PolarHBondContact O-NZ 3.28Å; D17-N109 PolarHBondContact OD2-ND2 3.33Å; D17-W113 PolarHBondContact OD1-NE1 3.34Å
18S91.3Very high95Very high50 Ų5026 Ų2635%0.3514%0.141SC..THydrogen-bonded Turntrans-61.3137.1171-173.20000110.2V20 G77S18-V20 VanDerWaalsContact C-N 3.34Å; S18-V20 PolarHBondContact O-N 2.8Å; S18-G77 PolarHBondContact N-O 2.95Å
19G92.6Very high95.1Very high27 Ų2722.1 Ų22.128%0.27813%0.126SC..THydrogen-bonded Turntrans84.5-5.8176.100000116.5G21 K134G19-G21 PolarHBondContact O-N 3.3Å; G19-K134 WeakPolarHBondContact O-CE 3.43Å; G19-K134 PolarHBondContact O-NZ 3.41Å
20V95.9Very high95.2Very high1 Ų120.6 Ų20.61%0.00612%0.119CC..SBendtrans-71-14.3178.9-540000113.8D17 S18 K22 L98 D100 N133D17-V20 HydrophobicContact CB-CG1 3.82Å; D17-V20 VanDerWaalsContact O-CG2 3.27Å; D17-V20 WeakPolarHBondContact O-CG2 3.08Å; S18-V20 VanDerWaalsContact C-N 3.34Å; S18-V20 PolarHBondContact O-N 2.8Å; V20-K22 HydrophobicContact CG2-CG 3.81Å; V20-L98 HydrophobicContact CG2-CB 3.83Å; V20-D100 HydrophobicContact CB-CB 4.19Å; V20-D100 HydrophobicContact CG1-CB 4.11Å; V20-N133 PolarHBondContact O-ND2 3.37Å
21G95.7Very high95Very high14 Ų1423.8 Ų23.814%0.14414%0.136CC..  trans99.826.1173.500000115.9G19 S24 F25G19-G21 PolarHBondContact O-N 3.3Å; G21-S24 PolarHBondContact O-N 3.41Å; G21-F25 VanDerWaalsContact O-CB 3.25Å; G21-F25 WeakPolarHBondContact O-CB 3.16Å; G21-F25 PolarHBondContact O-N 2.94Å
22K95.7Very high94.9Very high11 Ų1123.5 Ų23.55%0.04815%0.15CC..Hα-helixtrans-52.4-54.7175.3-59.5-174.2-62.5-75.50113.1A14 L15 G16 D17 V20 S24 F25 L26 D74 T75 L98A14-K22 HydrophobicContact CB-CB 4.11Å; A14-K22 HydrophobicContact CB-CD 4.33Å; A14-K22 HydrophobicContact CB-CG 4.38Å; L15-K22 VanDerWaalsContact C-CD 3.44Å; G16-K22 PolarHBondContact O-NZ 2.57Å; D17-K22 PolarHBondContact O-NZ 3.28Å; V20-K22 HydrophobicContact CG2-CG 3.81Å; K22-S24 PolarHBondContact O-N 3.31Å; K22-F25 WeakPolarHBondContact O-CB 3.29Å; K22-F25 PolarHBondContact O-N 3.1Å; K22-L26 WeakPolarHBondContact O-CG 3.45Å; K22-L26 PolarHBondContact O-N 2.81Å; K22-D74 WeakPolarHBondContact CB-OD1 3.22Å; K22-T75 WeakPolarHBondContact CE-O 3.39Å; K22-L98 HydrophobicContact CG-CB 4.36Å; K22-L98 HydrophobicContact CG-CD2 4.22Å
23T94.6Very high94.5Very high54 Ų5429.2 Ų29.233%0.33118%0.175SC..Hα-helixtrans-57.7-48.6177.8-41.20000111.6F25 L26 Y27 T41 D74T23-F25 VanDerWaalsContact C-N 3.33Å; T23-F25 PolarHBondContact O-N 3.37Å; T23-L26 PolarHBondContact O-N 3.06Å; T23-Y27 VanDerWaalsContact O-CB 3.31Å; T23-Y27 WeakPolarHBondContact O-CB 3.26Å; T23-Y27 PolarHBondContact O-N 2.86Å; T23-T41 PolarHBondContact OG1-OG1 2.73Å; T23-D74 VanDerWaalsContact CB-OD2 3.29Å; T23-D74 WeakPolarHBondContact CB-OD2 3.45Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.39Å; T23-D74 PolarHBondContact N-OD1 3.15Å; T23-D74 PolarHBondContact OG1-OD2 2.84Å
24S96Very high94.2Very high35 Ų3533.2 Ų33.225%0.24519%0.192CC..Hα-helixtrans-63.4-38.6178.8-54.20000112.3G21 K22 Y27 Q28G21-S24 PolarHBondContact O-N 3.41Å; K22-S24 PolarHBondContact O-N 3.31Å; S24-Y27 PolarHBondContact O-N 2.76Å; S24-Q28 VanDerWaalsContact O-CB 3.27Å; S24-Q28 WeakPolarHBondContact O-CB 3.32Å; S24-Q28 PolarHBondContact O-N 2.9Å
25F97.6Very high93.7Very high0 Ų037.3 Ų37.30%021%0.214CC..Hα-helixtrans-62-49.1176.4179.3-81.3000110.9G21 K22 T23 Y27 Q28 Y29 L96 L98 T162 A164 V170 A173 V174G21-F25 VanDerWaalsContact O-CB 3.25Å; G21-F25 WeakPolarHBondContact O-CB 3.16Å; G21-F25 PolarHBondContact O-N 2.94Å; K22-F25 WeakPolarHBondContact O-CB 3.29Å; K22-F25 PolarHBondContact O-N 3.1Å; T23-F25 VanDerWaalsContact C-N 3.33Å; T23-F25 PolarHBondContact O-N 3.37Å; F25-Y27 VanDerWaalsContact C-N 3.32Å; F25-Y27 PolarHBondContact O-N 3.19Å; F25-Q28 PolarHBondContact O-N 3.34Å; F25-Y29 PolarHBondContact O-N 3.32Å; F25-L96 HydrophobicContact CE1-CD1 3.94Å; F25-L96 HydrophobicContact CE1-CD2 4.46Å; F25-L98 HydrophobicContact CB-CD2 3.84Å; F25-L98 HydrophobicContact CD2-CD2 4.23Å; F25-L98 HydrophobicContact CG-CD2 4Å; F25-T162 HydrophobicContact CE2-CG2 3.94Å; F25-A164 HydrophobicContact CB-CB 4.44Å; F25-V170 HydrophobicContact CD1-CG1 4.41Å; F25-V170 HydrophobicContact CD2-CB 4.48Å; F25-V170 HydrophobicContact CD2-CG1 4.15Å; F25-V170 HydrophobicContact CD2-CG2 3.93Å; F25-V170 HydrophobicContact CE1-CG1 4.14Å; F25-V170 HydrophobicContact CE2-CB 4.03Å; F25-V170 HydrophobicContact CE2-CG1 3.88Å; F25-V170 HydrophobicContact CE2-CG2 3.83Å; F25-V170 HydrophobicContact CG-CG1 4.4Å; F25-V170 HydrophobicContact CZ-CB 4.33Å; F25-V170 HydrophobicContact CZ-CG1 3.87Å; F25-A173 HydrophobicContact CZ-CB 4.22Å; F25-V174 HydrophobicContact CE1-CG2 3.75Å; F25-V174 HydrophobicContact CZ-CG2 4.05Å
26L96.4Very high93Very high2 Ų244 Ų441%0.0125%0.249CC..Hα-helixtrans-65.3-37.2177-64.8-177.6000111.6A14 K22 T23 Y29 T30 L72 D74 L96A14-L26 HydrophobicContact CB-CD1 3.92Å; A14-L26 HydrophobicContact CB-CD2 4.47Å; A14-L26 HydrophobicContact CB-CG 4.28Å; K22-L26 WeakPolarHBondContact O-CG 3.45Å; K22-L26 PolarHBondContact O-N 2.81Å; T23-L26 PolarHBondContact O-N 3.06Å; L26-Y29 PolarHBondContact O-N 3.34Å; L26-T30 WeakPolarHBondContact O-CG2 3.24Å; L26-T30 PolarHBondContact O-N 2.76Å; L26-T30 PolarHBondContact O-OG1 3.37Å; L26-T30 VanDerWaalsContact O-OG1 3.14Å; L26-L72 HydrophobicContact CD1-CB 4.32Å; L26-L72 HydrophobicContact CD2-CB 4.01Å; L26-L72 HydrophobicContact CD2-CD1 4.38Å; L26-L72 HydrophobicContact CD2-CD2 4.44Å; L26-D74 HydrophobicContact CD1-CB 3.82Å; L26-L96 HydrophobicContact CD2-CD1 4.09Å
27Y94.8Very high92.3Very high85 Ų8551.7 Ų51.733%0.33328%0.283SS..Hα-helixtrans-64.8-42.7176.1-150.5-90.9000112.3T23 S24 F25 Y29 T30 D31 K33 R47T23-Y27 VanDerWaalsContact O-CB 3.31Å; T23-Y27 WeakPolarHBondContact O-CB 3.26Å; T23-Y27 PolarHBondContact O-N 2.86Å; S24-Y27 PolarHBondContact O-N 2.76Å; F25-Y27 VanDerWaalsContact C-N 3.32Å; F25-Y27 PolarHBondContact O-N 3.19Å; Y27-Y29 VanDerWaalsContact C-N 3.34Å; Y27-T30 PolarHBondContact O-N 3.24Å; Y27-D31 HydrophobicContact CD1-CB 4.4Å; Y27-D31 HydrophobicContact CE1-CB 4.24Å; Y27-D31 PolarHBondContact O-N 3.22Å; Y27-K33 HydrophobicContact CD1-CB 3.92Å; Y27-K33 WeakPolarHBondContact CD1-O 3.05Å; Y27-K33 HydrophobicContact CE1-CB 3.76Å; Y27-K33 HydrophobicContact CE1-CD 4.36Å; Y27-R47 VanDerWaalsContact CG-NH1 3.33Å
28Q96.8Very high91.4Very high31 Ų3157.2 Ų57.215%0.14531%0.306CS..Hα-helixtrans-64.2-40.6175.3-177.359.630.600111.1S24 F25 G32 K33 A164 V170S24-Q28 VanDerWaalsContact O-CB 3.27Å; S24-Q28 WeakPolarHBondContact O-CB 3.32Å; S24-Q28 PolarHBondContact O-N 2.9Å; F25-Q28 PolarHBondContact O-N 3.34Å; Q28-G32 WeakPolarHBondContact O-CA 2.95Å; Q28-G32 PolarHBondContact O-N 3.48Å; Q28-K33 WeakPolarHBondContact CA-O 3.26Å; Q28-K33 PolarHBondContact N-O 3.27Å; Q28-K33 PolarHBondContact OE1-O 3.46Å; Q28-A164 WeakPolarHBondContact CG-O 3.38Å; Q28-A164 PolarHBondContact OE1-O 3.25Å; Q28-V170 HydrophobicContact CB-CG1 4.4Å; Q28-V170 HydrophobicContact CG-CB 4.49Å; Q28-V170 HydrophobicContact CG-CG1 4.32Å; Q28-V170 HydrophobicContact CG-CG2 4.17Å
29Y97.3Very high90.7Very high5 Ų560.7 Ų60.72%0.0232%0.32CS..Hα-helixtrans-64.4-48.1176-177.9-105.6000112.1F25 L26 Y27 R49 L70 L72 V170 V174F25-Y29 PolarHBondContact O-N 3.32Å; L26-Y29 PolarHBondContact O-N 3.34Å; Y27-Y29 VanDerWaalsContact C-N 3.34Å; Y29-R49 HydrophobicContact CE1-CB 4.25Å; Y29-R49 HydrophobicContact CE1-CG 4.34Å; Y29-R49 PolarHBondContact O-NH1 3.28Å; Y29-L70 HydrophobicContact CE1-CD1 4.07Å; Y29-L70 WeakPolarHBondContact OH-CD1 3.37Å; Y29-L72 HydrophobicContact CD1-CD1 3.53Å; Y29-L72 HydrophobicContact CE1-CD1 3.86Å; Y29-V170 HydrophobicContact CD2-CG1 4.4Å; Y29-V174 HydrophobicContact CD1-CG1 4.44Å; Y29-V174 HydrophobicContact CD1-CG2 4.49Å; Y29-V174 HydrophobicContact CD2-CB 3.96Å; Y29-V174 HydrophobicContact CD2-CG1 4.32Å; Y29-V174 HydrophobicContact CD2-CG2 3.78Å; Y29-V174 HydrophobicContact CE1-CB 4.47Å; Y29-V174 HydrophobicContact CE1-CG1 3.79Å; Y29-V174 HydrophobicContact CE2-CB 3.53Å; Y29-V174 HydrophobicContact CE2-CG1 3.66Å; Y29-V174 HydrophobicContact CE2-CG2 3.9Å; Y29-V174 HydrophobicContact CG-CG2 4.09Å; Y29-V174 WeakPolarHBondContact OH-CG1 3.44Å
30T95.5Very high90.1Very high29 Ų2961.8 Ų61.818%0.17832%0.321CS..Hα-helixtrans-79.6-39.3-173.558.30000113.9L26 Y27 R47 R49 L72L26-T30 WeakPolarHBondContact O-CG2 3.24Å; L26-T30 PolarHBondContact O-N 2.76Å; L26-T30 PolarHBondContact O-OG1 3.37Å; L26-T30 VanDerWaalsContact O-OG1 3.14Å; Y27-T30 PolarHBondContact O-N 3.24Å; T30-R47 HydrophobicContact CG2-CB 4.08Å; T30-R47 PolarHBondContact OG1-NH1 3.04Å; T30-R49 HydrophobicContact CG2-CB 4.26Å; T30-L72 HydrophobicContact CG2-CD1 3.56Å
31D93.1Very high89.1Confident68 Ų6863 Ų6336%0.36433%0.328SS..Hα-helixtrans-113.8-8-171.3-66.6-94.6000113.9Y27 K33 R47Y27-D31 HydrophobicContact CD1-CB 4.4Å; Y27-D31 HydrophobicContact CE1-CB 4.24Å; Y27-D31 PolarHBondContact O-N 3.22Å; D31-K33 HydrophobicContact CB-CB 4.25Å; D31-K33 HydrophobicContact CB-CD 4.2Å; D31-K33 HydrophobicContact CB-CG 4.3Å; D31-K33 PolarHBondContact O-N 3.25Å; D31-R47 IonicContact OD2-CZ 3.63Å; D31-R47 IonicContact OD2-NH1 3.24Å; D31-R47 PolarHBondContact OD2-NH1 3.31Å; D31-R47 IonicContact OD2-NH2 3.61Å; D31-R47 PolarHBondContact OD2-NH2 2.79Å
32G91.9Very high88.2Confident52 Ų5268 Ų6854%0.53636%0.356SS..SBendtrans63.126.6-173.900000113Q28Q28-G32 WeakPolarHBondContact O-CA 2.95Å; Q28-G32 PolarHBondContact O-N 3.48Å
33K89.4Confident87.1Confident123 Ų12368.1 Ų68.154%0.53536%0.36SS..  trans-123147.8-174.3-72.1173.9-171.9169.70111.2Y27 Q28 D31Y27-K33 HydrophobicContact CD1-CB 3.92Å; Y27-K33 WeakPolarHBondContact CD1-O 3.05Å; Y27-K33 HydrophobicContact CE1-CB 3.76Å; Y27-K33 HydrophobicContact CE1-CD 4.36Å; Q28-K33 WeakPolarHBondContact CA-O 3.26Å; Q28-K33 PolarHBondContact N-O 3.27Å; Q28-K33 PolarHBondContact OE1-O 3.46Å; D31-K33 HydrophobicContact CB-CB 4.25Å; D31-K33 HydrophobicContact CB-CD 4.2Å; D31-K33 HydrophobicContact CB-CG 4.3Å; D31-K33 PolarHBondContact O-N 3.25Å
34F88.7Confident86.5Confident85 Ų8567.4 Ų67.437%0.37335%0.354SS..  trans-119.4138.6170.1-175.3-113.3000110.7N36 A164 A165F34-N36 WeakPolarHBondContact CD1-OD1 3.36Å; F34-N36 WeakPolarHBondContact CE1-OD1 3.09Å; F34-A164 HydrophobicContact CD2-CB 4.25Å; F34-A164 VanDerWaalsContact CD2-O 3.29Å; F34-A164 WeakPolarHBondContact CD2-O 3.43Å; F34-A164 HydrophobicContact CE2-CB 4.23Å; F34-A165 HydrophobicContact CD1-CB 4.01Å; F34-A165 HydrophobicContact CD2-CB 4.32Å; F34-A165 HydrophobicContact CE1-CB 3.91Å; F34-A165 HydrophobicContact CE2-CB 4.25Å; F34-A165 HydrophobicContact CG-CB 4.21Å; F34-A165 HydrophobicContact CZ-CB 4.05Å
35N84.3Confident86Confident86 Ų8670 Ų7046%0.4637%0.365SS..  trans-116.7118.7174.1-175-5.6000109.5K37N35-K37 PolarHBondContact O-N 3.06Å; N35-K37 WeakPolarHBondContact OD1-CB 3.29Å; N35-K37 PolarHBondContact OD1-N 3.33Å
36N78.8Confident85.5Confident140 Ų14074.3 Ų74.375%0.74938%0.384SS*.  trans-70.4-14.4-179.8-71.114.4000113.4F34 F38F34-N36 WeakPolarHBondContact CD1-OD1 3.36Å; F34-N36 WeakPolarHBondContact CE1-OD1 3.09Å; N36-F38 PolarHBondContact O-N 2.97Å
37K79.4Confident85.3Confident162 Ų16277.1 Ų77.170%0.70439%0.394SS*.SBendtrans-77.7115.3178-67.3-175.3179.8179.60109.8N35 I39N35-K37 PolarHBondContact O-N 3.06Å; N35-K37 WeakPolarHBondContact OD1-CB 3.29Å; N35-K37 PolarHBondContact OD1-N 3.33Å; K37-I39 PolarHBondContact O-N 3.47Å; K37-I39 VanDerWaalsContact O-N 3.16Å
38F73.3Confident85.3Confident142 Ų14277.6 Ų77.662%0.62340%0.399SS*.  trans-70.1110.1170.1-176.4-106.8000110N36 T40N36-F38 PolarHBondContact O-N 2.97Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.31Å
39I77.7Confident85.2Confident123 Ų12380 Ų8063%0.63141%0.407SS*.  trans-115.4124.4170.3-57.2175.6000106.2K37 T41K37-I39 PolarHBondContact O-N 3.47Å; K37-I39 VanDerWaalsContact O-N 3.16Å; I39-T41 PolarHBondContact O-N 3Å
40T78.9Confident85.1Confident49 Ų4986 Ų8630%0.30143%0.43SS..PPolyproline II helixtrans-76.1126.9178.4-57.70000109.4F38 V42F38-T40 WeakPolarHBondContact CE1-OG1 3.31Å; T40-V42 PolarHBondContact O-N 3.08Å
41T76.3Confident85.1Confident26 Ų2685.9 Ų85.916%0.1643%0.429CS..PPolyproline II helixtrans-63.1122.5171.3-48.70000109.7T23 I39 D74 A76T23-T41 PolarHBondContact OG1-OG1 2.73Å; I39-T41 PolarHBondContact O-N 3Å; T41-D74 PolarHBondContact OG1-OD2 3.26Å; T41-D74 VanDerWaalsContact OG1-OD2 3.05Å; T41-A76 VanDerWaalsContact O-CB 3.29Å; T41-A76 WeakPolarHBondContact O-CB 3.35Å
42V74.9Confident85.2Confident121 Ų12188.2 Ų88.273%0.73344%0.44SS*.PPolyproline II helixtrans-98117.6173.3179.80000107.6T40 F81T40-V42 PolarHBondContact O-N 3.08Å; V42-F81 HydrophobicContact CG1-CZ 4.32Å
43G74.1Confident85.2Confident12 Ų1286.8 Ų86.812%0.12442%0.419CS..SBendtrans74.8-125.1-176.500000112.3A76G43-A76 WeakPolarHBondContact O-CB 3.28Å; G43-A76 PolarHBondContact O-N 3Å
44I80.5Confident85.2Confident40 Ų4085 Ų8521%0.20542%0.415CS..EExtended strand (participates in β ladder)trans-137.8136.9-173.8-68.7170.6000108.5W73 D74 L84 F88I44-W73 HydrophobicContact CG2-CE3 3.58Å; I44-W73 HydrophobicContact CG2-CZ3 3.97Å; I44-D74 WeakPolarHBondContact CA-O 3.42Å; I44-L84 HydrophobicContact CD1-CD2 4.41Å; I44-L84 HydrophobicContact CD1-CG 4.15Å; I44-F88 HydrophobicContact CD1-CD1 4.27Å; I44-F88 HydrophobicContact CD1-CD2 3.15Å; I44-F88 HydrophobicContact CD1-CE1 4.19Å; I44-F88 HydrophobicContact CD1-CE2 3.07Å; I44-F88 HydrophobicContact CD1-CG 3.79Å; I44-F88 HydrophobicContact CD1-CZ 3.62Å; I44-F88 HydrophobicContact CG1-CE2 4.47Å; I44-F88 HydrophobicContact CG2-CE1 4.34Å
45D86.6Confident85Confident89 Ų8982 Ų8248%0.47640%0.404SS..EExtended strand (participates in β ladder)trans-125164.2173.2-164.88.1000108.6D74D45-D74 HydrophobicContact CB-CB 4.45Å; D45-D74 PolarHBondContact N-O 3Å; D45-D74 VanDerWaalsContact N-O 3.08Å; D45-D74 PolarHBondContact O-N 2.77Å
46F87.4Confident84.8Confident91 Ų9182.4 Ų82.440%0.39941%0.41SS..EExtended strand (participates in β ladder)trans-144153.4172.776.3-83.1000111.6E48 L72 W73F46-E48 HydrophobicContact CD2-CG 4.1Å; F46-E48 HydrophobicContact CE2-CG 3.96Å; F46-L72 CarbonylContact C-O 3.55Å; F46-L72 VanDerWaalsContact CA-O 3.25Å; F46-L72 WeakPolarHBondContact CA-O 3.25Å; F46-W73 HydrophobicContact CB-CD2 3.93Å; F46-W73 HydrophobicContact CB-CE3 3.95Å; F46-W73 HydrophobicContact CB-CG 4.27Å; F46-W73 HydrophobicContact CB-CZ3 4.36Å; F46-W73 HydrophobicContact CD1-CH2 4.39Å; F46-W73 HydrophobicContact CD1-CZ3 4.31Å
47R91.8Very high84.5Confident61 Ų6176.9 Ų76.923%0.2339%0.386CS..EExtended strand (participates in β ladder)trans-129.9154176.9-47.2-163.388.9-153.6-0.1110Y27 T30 D31 L72Y27-R47 VanDerWaalsContact CG-NH1 3.33Å; T30-R47 HydrophobicContact CG2-CB 4.08Å; T30-R47 PolarHBondContact OG1-NH1 3.04Å; D31-R47 IonicContact OD2-CZ 3.63Å; D31-R47 IonicContact OD2-NH1 3.24Å; D31-R47 PolarHBondContact OD2-NH1 3.31Å; D31-R47 IonicContact OD2-NH2 3.61Å; D31-R47 PolarHBondContact OD2-NH2 2.79Å; R47-L72 PolarHBondContact N-O 2.93Å; R47-L72 WeakPolarHBondContact O-CB 3.2Å; R47-L72 PolarHBondContact O-N 3.37Å
48E94.9Very high84.1Confident94 Ų9476.3 Ų76.344%0.43940%0.399SS..EExtended strand (participates in β ladder)trans-118.5139.7-176.6-69.5-176.9147.200110.8F46 H69 L70 Q71F46-E48 HydrophobicContact CD2-CG 4.1Å; F46-E48 HydrophobicContact CE2-CG 3.96Å; E48-H69 VanDerWaalsContact CD-NE2 3.32Å; E48-H69 IonicContact OE1-CE1 3.55Å; E48-H69 IonicContact OE1-NE2 2.81Å; E48-H69 IonicContact OE2-CE1 3.27Å; E48-H69 IonicContact OE2-NE2 3.2Å; E48-L70 VanDerWaalsContact CA-O 3.26Å; E48-L70 WeakPolarHBondContact CA-O 3.31Å; E48-Q71 HydrophobicContact CG-CG 4.03Å; E48-Q71 PolarHBondContact OE1-NE2 3.18Å
49R94.7Very high84.3Confident82 Ų8275 Ų7531%0.30940%0.398SS..EExtended strand (participates in β ladder)trans-141132.6172.3-164.6-179-172.3-175.2-1109.9Y29 T30 V51 L70Y29-R49 HydrophobicContact CE1-CB 4.25Å; Y29-R49 HydrophobicContact CE1-CG 4.34Å; Y29-R49 PolarHBondContact O-NH1 3.28Å; T30-R49 HydrophobicContact CG2-CB 4.26Å; R49-V51 HydrophobicContact CG-CG1 4.16Å; R49-L70 PolarHBondContact N-O 3.43Å; R49-L70 WeakPolarHBondContact O-CB 3.48Å; R49-L70 PolarHBondContact O-N 3.02Å
50R95.1Very high84.1Confident131 Ų13171.7 Ų71.749%0.49439%0.394SS..EExtended strand (participates in β ladder)trans-93.8130.1171.3-65.6-177.3-175.5175.20.7109.8E5 I68E5-R50 VanDerWaalsContact CD-CZ 3.41Å; E5-R50 IonicContact OE1-CZ 3.08Å; E5-R50 VanDerWaalsContact OE1-CZ 3.27Å; E5-R50 IonicContact OE1-NH1 3.27Å; E5-R50 PolarHBondContact OE1-NH1 2.94Å; E5-R50 IonicContact OE1-NH2 3.36Å; E5-R50 PolarHBondContact OE1-NH2 2.83Å; E5-R50 IonicContact OE2-CZ 2.58Å; E5-R50 IonicContact OE2-NH1 2.79Å; E5-R50 IonicContact OE2-NH2 2.86Å; E5-R50 PolarHBondContact OE2-NH2 2.83Å; R50-I68 WeakPolarHBondContact CA-O 3.36Å
51V95.3Very high84Confident27 Ų2773.2 Ų73.216%0.16440%0.404CS..EExtended strand (participates in β ladder)trans-133.3160.1178.4-57.90000109.9R49 I68 L70 L178R49-V51 HydrophobicContact CG-CG1 4.16Å; V51-I68 HydrophobicContact CG2-CB 3.76Å; V51-I68 HydrophobicContact CG2-CG1 4.31Å; V51-I68 HydrophobicContact CG2-CG2 4.37Å; V51-I68 PolarHBondContact N-O 2.96Å; V51-I68 PolarHBondContact O-N 2.83Å; V51-L70 HydrophobicContact CG1-CD1 4.11Å; V51-L70 HydrophobicContact CG2-CD1 3.86Å; V51-L70 HydrophobicContact CG2-CG 4.12Å; V51-L178 HydrophobicContact CG2-CD2 3.84Å
52I94.4Very high84.1Confident116 Ų11676.5 Ų76.560%0.59542%0.424SS*.EExtended strand (participates in β ladder)trans-110.2116.9173.1-60.4175.4000106.9Q66I52-Q66 CarbonylContact C-O 3.58Å; I52-Q66 WeakPolarHBondContact CA-O 3.45Å
53Y93.2Very high84.1Confident23 Ų2372.5 Ų72.59%0.0941%0.407CS..EExtended strand (participates in β ladder)trans-92.6126.7175.2175.7-101.9000109.7G65 Q66 L178 D179 M182Y53-G65 CarbonylContact O-C 3.59Å; Y53-G65 WeakPolarHBondContact O-CA 3.37Å; Y53-Q66 PolarHBondContact N-O 3.4Å; Y53-Q66 PolarHBondContact O-N 3.42Å; Y53-L178 HydrophobicContact CD2-CD2 4.36Å; Y53-L178 HydrophobicContact CD2-CG 4.3Å; Y53-D179 HydrophobicContact CE2-CB 4.31Å; Y53-D179 PolarHBondContact OH-OD1 3.06Å; Y53-M182 HydrophobicContact CD1-CB 4.16Å; Y53-M182 HydrophobicContact CD1-CE 3.85Å; Y53-M182 HydrophobicContact CD1-CG 3.82Å; Y53-M182 HydrophobicContact CD2-CG 4.14Å; Y53-M182 HydrophobicContact CE1-CB 3.61Å; Y53-M182 HydrophobicContact CE1-CE 4.24Å; Y53-M182 HydrophobicContact CE1-CG 3.8Å; Y53-M182 HydrophobicContact CE2-CB 4.23Å; Y53-M182 HydrophobicContact CE2-CG 4.13Å; Y53-M182 HydrophobicContact CG-CG 3.99Å
54N90.1Very high84.5Confident86 Ų8682 Ų8246%0.4644%0.439SS..  trans-110.6106.5177-63.7-41.6000108.7T62 G65N54-T62 HydrophobicContact CB-CG2 3.8Å; N54-G65 WeakPolarHBondContact OD1-CA 3.26Å
55S82.6Confident84.9Confident21 Ų2181.4 Ų81.415%0.14744%0.443CS..  trans-69.7140.5174.9-163.50000109.7G63 E186S55-G63 PolarHBondContact O-N 3.34Å; S55-E186 PolarHBondContact OG-OE1 3.21Å
56T80.6Confident85.2Confident95 Ų9579 Ų7958%0.58343%0.429SS*.BIsolated β-bridgetrans-110.4119.2174.8-54.50000108.6
57G72.9Confident85.5Confident23 Ų2379.8 Ų79.824%0.23743%0.432CS..  trans-67.5162.4177.800000112.5D59 G60 T61G57-D59 PolarHBondContact O-N 2.67Å; G57-D59 VanDerWaalsContact O-N 3.14Å; G57-G60 PolarHBondContact O-N 3.15Å; G57-T61 PolarHBondContact N-O 2.99Å
58P71Confident85.7Confident150 Ų15077 Ų7797%0.97442%0.421SS*.THydrogen-bonded Turntrans-63.1-17.617923.9-31.6000113.7
59D76.7Confident85.8Confident115 Ų11573.2 Ų73.262%0.61540%0.404SS*.THydrogen-bonded Turntrans-91.34.2175.363.4-10.5000113.5G57 T61G57-D59 PolarHBondContact O-N 2.67Å; G57-D59 VanDerWaalsContact O-N 3.14Å; D59-T61 VanDerWaalsContact C-N 3.26Å; D59-T61 VanDerWaalsContact CG-OG1 3.26Å; D59-T61 PolarHBondContact O-N 2.9Å; D59-T61 WeakPolarHBondContact OD1-CB 3.25Å; D59-T61 PolarHBondContact OD1-N 3.28Å; D59-T61 PolarHBondContact OD1-OG1 3.17Å; D59-T61 WeakPolarHBondContact OD2-CG2 3.45Å; D59-T61 PolarHBondContact OD2-OG1 2.68Å
60G74.4Confident85.9Confident53 Ų5369.3 Ų69.355%0.54639%0.389SS..SBendtrans79.14.1-176.900000114.2G57G57-G60 PolarHBondContact O-N 3.15Å
61T77.6Confident86Confident81 Ų8164.5 Ų64.550%0.49737%0.372SS..PPolyproline II helixtrans-75.7132.2174.459.50000110.7G57 D59 G63G57-T61 PolarHBondContact N-O 2.99Å; D59-T61 VanDerWaalsContact C-N 3.26Å; D59-T61 VanDerWaalsContact CG-OG1 3.26Å; D59-T61 PolarHBondContact O-N 2.9Å; D59-T61 WeakPolarHBondContact OD1-CB 3.25Å; D59-T61 PolarHBondContact OD1-N 3.28Å; D59-T61 PolarHBondContact OD1-OG1 3.17Å; D59-T61 WeakPolarHBondContact OD2-CG2 3.45Å; D59-T61 PolarHBondContact OD2-OG1 2.68Å; T61-G63 PolarHBondContact O-N 2.86Å
62T77.4Confident86Confident96 Ų9663.3 Ų63.359%0.58937%0.365SS*.BIsolated β-bridgetrans-79.2120.2173.8-47.70000108.9N54N54-T62 HydrophobicContact CB-CG2 3.8Å
63G75.1Confident85.9Confident36 Ų3660.1 Ų60.137%0.37135%0.345SS..PPolyproline II helixtrans-65.7173.8173.700000112S55 T61 G65S55-G63 PolarHBondContact O-N 3.34Å; T61-G63 PolarHBondContact O-N 2.86Å; G63-G65 PolarHBondContact O-N 3.01Å
64R83.3Confident85.8Confident213 Ų21359.2 Ų59.280%0.80434%0.342SS*.PPolyproline II helixtrans-59.4131.8174178.2177.9171.5-177.6-4.3109.7Q66R64-Q66 PolarHBondContact O-N 3.12Å
65G88.2Confident85.6Confident27 Ų2755.1 Ų55.128%0.27832%0.32SS..PPolyproline II helixtrans-61125.7173.200000111.6Y53 N54 G63Y53-G65 CarbonylContact O-C 3.59Å; Y53-G65 WeakPolarHBondContact O-CA 3.37Å; N54-G65 WeakPolarHBondContact OD1-CA 3.26Å; G63-G65 PolarHBondContact O-N 3.01Å
66Q91.9Very high85.4Confident38 Ų3854.2 Ų54.218%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-100.2127.6179.8-62.11763.500109.3D7 Y8 I52 Y53 R64 I68D7-Q66 WeakPolarHBondContact OD2-CA 3.26Å; Y8-Q66 HydrophobicContact CD2-CB 4.25Å; Y8-Q66 HydrophobicContact CE2-CB 4.13Å; Y8-Q66 HydrophobicContact CE2-CG 4.12Å; I52-Q66 CarbonylContact C-O 3.58Å; I52-Q66 WeakPolarHBondContact CA-O 3.45Å; Y53-Q66 PolarHBondContact N-O 3.4Å; Y53-Q66 PolarHBondContact O-N 3.42Å; R64-Q66 PolarHBondContact O-N 3.12Å; Q66-I68 HydrophobicContact CB-CD1 4.17Å; Q66-I68 PolarHBondContact O-N 3.34Å
67K94.7Very high84.7Confident108 Ų10850.1 Ų50.147%0.4729%0.291SS..EExtended strand (participates in β ladder)trans-79.4115178-64.8177.3-176.5176.40109.2D7 Y8D7-K67 PolarHBondContact N-O 3.14Å; D7-K67 PolarHBondContact OD2-N 3.37Å; Y8-K67 PolarHBondContact N-O 3.32Å; Y8-K67 VanDerWaalsContact N-O 3.15Å
68I96.1Very high84.3Confident1 Ų151 Ų511%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-106.3129.1179.5-46.5-58.1000109Y8 I10 R50 V51 Q66 L70 L178 M182Y8-I68 HydrophobicContact CD2-CD1 3.67Å; Y8-I68 HydrophobicContact CG-CD1 4.09Å; Y8-I68 WeakPolarHBondContact O-CA 3.44Å; I10-I68 HydrophobicContact CB-CG2 4.11Å; I10-I68 HydrophobicContact CD1-CD1 4.49Å; I10-I68 HydrophobicContact CD1-CG2 3.82Å; I10-I68 HydrophobicContact CG1-CG2 4.04Å; R50-I68 WeakPolarHBondContact CA-O 3.36Å; V51-I68 HydrophobicContact CG2-CB 3.76Å; V51-I68 HydrophobicContact CG2-CG1 4.31Å; V51-I68 HydrophobicContact CG2-CG2 4.37Å; V51-I68 PolarHBondContact N-O 2.96Å; V51-I68 PolarHBondContact O-N 2.83Å; Q66-I68 HydrophobicContact CB-CD1 4.17Å; Q66-I68 PolarHBondContact O-N 3.34Å; I68-L70 HydrophobicContact CG2-CD2 3.74Å; I68-L70 HydrophobicContact CG2-CG 4.1Å; I68-L178 HydrophobicContact CG2-CD1 4.14Å; I68-M182 HydrophobicContact CD1-CE 3.82Å; I68-M182 HydrophobicContact CD1-SD 3.98Å
69H96.6Very high83.8Confident16 Ų1650.5 Ų50.57%0.07427%0.273CS..EExtended strand (participates in β ladder)trans-96.8107.7164.6-168.8178.8000108.3Y6 Y8 L9 I10 E48Y6-H69 HydrophobicContact CD1-CB 3.63Å; Y6-H69 AromaticContact CD1-CG 3.96Å; Y6-H69 AromaticContact CD1-ND1 3.57Å; Y6-H69 HydrophobicContact CD2-CB 3.87Å; Y6-H69 HydrophobicContact CE1-CB 4.07Å; Y6-H69 AromaticContact CE1-ND1 3.31Å; Y6-H69 VanDerWaalsContact CE1-ND1 3.31Å; Y6-H69 WeakPolarHBondContact CE1-ND1 3.48Å; Y6-H69 HydrophobicContact CE2-CB 4.29Å; Y6-H69 HydrophobicContact CG-CB 3.52Å; Y6-H69 AromaticContact CZ-ND1 3.9Å; Y8-H69 PolarHBondContact O-N 2.97Å; L9-H69 WeakPolarHBondContact CA-O 3.33Å; L9-H69 HydrophobicContact CD1-CB 4.1Å; L9-H69 WeakPolarHBondContact CD1-O 3.23Å; I10-H69 PolarHBondContact N-O 3.05Å; E48-H69 VanDerWaalsContact CD-NE2 3.32Å; E48-H69 IonicContact OE1-CE1 3.55Å; E48-H69 IonicContact OE1-NE2 2.81Å; E48-H69 IonicContact OE2-CE1 3.27Å; E48-H69 IonicContact OE2-NE2 3.2Å
70L96.9Very high83Confident0 Ų053.6 Ų53.60%028%0.276CS..EExtended strand (participates in β ladder)trans-86.9127.3176.2-64174.9000110.1I10 F12 Y29 E48 R49 V51 I68 L72 V174 L178I10-L70 HydrophobicContact CB-CD2 3.98Å; I10-L70 HydrophobicContact CG2-CD2 4.02Å; I10-L70 CarbonylContact O-C 3.57Å; I10-L70 WeakPolarHBondContact O-CA 3.39Å; F12-L70 HydrophobicContact CD2-CD2 4.42Å; F12-L70 HydrophobicContact CE2-CD2 3.82Å; F12-L70 HydrophobicContact CZ-CD2 3.93Å; Y29-L70 HydrophobicContact CE1-CD1 4.07Å; Y29-L70 WeakPolarHBondContact OH-CD1 3.37Å; E48-L70 VanDerWaalsContact CA-O 3.26Å; E48-L70 WeakPolarHBondContact CA-O 3.31Å; R49-L70 PolarHBondContact N-O 3.43Å; R49-L70 WeakPolarHBondContact O-CB 3.48Å; R49-L70 PolarHBondContact O-N 3.02Å; V51-L70 HydrophobicContact CG1-CD1 4.11Å; V51-L70 HydrophobicContact CG2-CD1 3.86Å; V51-L70 HydrophobicContact CG2-CG 4.12Å; I68-L70 HydrophobicContact CG2-CD2 3.74Å; I68-L70 HydrophobicContact CG2-CG 4.1Å; L70-L72 HydrophobicContact CB-CD2 4.39Å; L70-L72 HydrophobicContact CB-CG 4.43Å; L70-V174 HydrophobicContact CD1-CG1 4.41Å; L70-L178 HydrophobicContact CD2-CD1 4.19Å
71Q96.5Very high82.3Confident30 Ų3053.8 Ų53.814%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-103.9115.6163.4-78.2-175.7-15.700108.9L9 I10 K11 F12 E48L9-Q71 HydrophobicContact CD1-CG 3.91Å; I10-Q71 PolarHBondContact O-N 3.29Å; K11-Q71 CarbonylContact C-O 3.55Å; K11-Q71 WeakPolarHBondContact CA-O 3.4Å; K11-Q71 HydrophobicContact CG-CB 4.13Å; F12-Q71 PolarHBondContact N-O 3.02Å; E48-Q71 HydrophobicContact CG-CG 4.03Å; E48-Q71 PolarHBondContact OE1-NE2 3.18Å
72L95.4Very high81.7Confident1 Ų153.1 Ų53.11%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-107.7102.2-175-57.8169.1000108.5F12 L26 Y29 T30 F46 R47 L70F12-L72 HydrophobicContact CB-CD2 4.06Å; F12-L72 HydrophobicContact CD2-CD2 3.76Å; F12-L72 HydrophobicContact CG-CD2 4.33Å; L26-L72 HydrophobicContact CD1-CB 4.32Å; L26-L72 HydrophobicContact CD2-CB 4.01Å; L26-L72 HydrophobicContact CD2-CD1 4.38Å; L26-L72 HydrophobicContact CD2-CD2 4.44Å; Y29-L72 HydrophobicContact CD1-CD1 3.53Å; Y29-L72 HydrophobicContact CE1-CD1 3.86Å; T30-L72 HydrophobicContact CG2-CD1 3.56Å; F46-L72 CarbonylContact C-O 3.55Å; F46-L72 VanDerWaalsContact CA-O 3.25Å; F46-L72 WeakPolarHBondContact CA-O 3.25Å; R47-L72 PolarHBondContact N-O 2.93Å; R47-L72 WeakPolarHBondContact O-CB 3.2Å; R47-L72 PolarHBondContact O-N 3.37Å; L70-L72 HydrophobicContact CB-CD2 4.39Å; L70-L72 HydrophobicContact CB-CG 4.43Å
73W93.6Very high81.1Confident49 Ų4953.3 Ų53.319%0.18626%0.256CS..EExtended strand (participates in β ladder)trans-86.9122-176.8-6781.6000110.2F12 L13 A14 I44 F46 F88F12-W73 WeakPolarHBondContact O-CB 3.19Å; F12-W73 PolarHBondContact O-N 3.16Å; L13-W73 HydrophobicContact CD1-CB 3.31Å; L13-W73 HydrophobicContact CD1-CG 4.31Å; A14-W73 PolarHBondContact N-O 3.31Å; I44-W73 HydrophobicContact CG2-CE3 3.58Å; I44-W73 HydrophobicContact CG2-CZ3 3.97Å; F46-W73 HydrophobicContact CB-CD2 3.93Å; F46-W73 HydrophobicContact CB-CE3 3.95Å; F46-W73 HydrophobicContact CB-CG 4.27Å; F46-W73 HydrophobicContact CB-CZ3 4.36Å; F46-W73 HydrophobicContact CD1-CH2 4.39Å; F46-W73 HydrophobicContact CD1-CZ3 4.31Å; W73-F88 HydrophobicContact CD2-CD1 4.44Å; W73-F88 AromaticContact CE3-CD1 3.85Å; W73-F88 HydrophobicContact CE3-CD1 3.85Å; W73-F88 AromaticContact CE3-CE1 3.91Å; W73-F88 HydrophobicContact CE3-CE1 3.91Å; W73-F88 HydrophobicContact CH2-CD1 4.41Å; W73-F88 HydrophobicContact CH2-CE1 4.04Å; W73-F88 AromaticContact CZ3-CD1 3.84Å; W73-F88 HydrophobicContact CZ3-CD1 3.84Å; W73-F88 AromaticContact CZ3-CE1 3.45Å; W73-F88 HydrophobicContact CZ3-CE1 3.45Å; W73-F88 VanDerWaalsContact CZ3-CE1 3.45Å
74D90.9Very high80.6Confident4 Ų455.6 Ų55.62%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-95.3126.4173.6-170.228.9000109.8K22 T23 L26 T41 I44 D45K22-D74 WeakPolarHBondContact CB-OD1 3.22Å; T23-D74 VanDerWaalsContact CB-OD2 3.29Å; T23-D74 WeakPolarHBondContact CB-OD2 3.45Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.39Å; T23-D74 PolarHBondContact N-OD1 3.15Å; T23-D74 PolarHBondContact OG1-OD2 2.84Å; L26-D74 HydrophobicContact CD1-CB 3.82Å; T41-D74 PolarHBondContact OG1-OD2 3.26Å; T41-D74 VanDerWaalsContact OG1-OD2 3.05Å; I44-D74 WeakPolarHBondContact CA-O 3.42Å; D45-D74 HydrophobicContact CB-CB 4.45Å; D45-D74 PolarHBondContact N-O 3Å; D45-D74 VanDerWaalsContact N-O 3.08Å; D45-D74 PolarHBondContact O-N 2.77Å
75T84.8Confident79.8Confident1 Ų145.6 Ų45.61%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-105.6144.6179.361.50000111.5L13 A14 L15 K22 G77 T85L13-T75 HydrophobicContact CD1-CG2 3.34Å; L13-T75 HydrophobicContact CD2-CG2 4.29Å; L13-T75 HydrophobicContact CG-CG2 3.87Å; A14-T75 PolarHBondContact O-OG1 3.22Å; L15-T75 HydrophobicContact CD2-CG2 3.99Å; K22-T75 WeakPolarHBondContact CE-O 3.39Å; T75-G77 PolarHBondContact O-N 3.14Å; T75-T85 HydrophobicContact CG2-CG2 3.89Å
76A78.8Confident79Confident1 Ų146.1 Ų46.11%0.00822%0.219CC..  trans-63.2125.116500000110.2T41 G43 Q78 F81T41-A76 VanDerWaalsContact O-CB 3.29Å; T41-A76 WeakPolarHBondContact O-CB 3.35Å; G43-A76 WeakPolarHBondContact O-CB 3.28Å; G43-A76 PolarHBondContact O-N 3Å; A76-Q78 VanDerWaalsContact C-N 3.26Å; A76-Q78 PolarHBondContact O-N 3.46Å; A76-F81 HydrophobicContact CB-CB 4.01Å; A76-F81 HydrophobicContact CB-CD2 3.63Å; A76-F81 HydrophobicContact CB-CE2 4.45Å; A76-F81 HydrophobicContact CB-CG 4.08Å
77G66.4Low78.2Confident10 Ų1047.3 Ų47.310%0.10324%0.236CC..  trans-82.96.3178.200000114.8G16 S18 T75G16-G77 WeakPolarHBondContact O-CA 3.48Å; S18-G77 PolarHBondContact N-O 2.95Å; T75-G77 PolarHBondContact O-N 3.14Å
78Q64.1Low77.4Confident42 Ų4244.7 Ų44.720%0.19623%0.225CC..SBendtrans-83139.7178.6-67.7-169.55.400110.9A76 R80 F81A76-Q78 VanDerWaalsContact C-N 3.26Å; A76-Q78 PolarHBondContact O-N 3.46Å; Q78-R80 PolarHBondContact O-N 2.98Å; Q78-F81 HydrophobicContact CB-CD2 4.05Å; Q78-F81 PolarHBondContact O-N 2.8Å
79E60.2Low76.7Confident138 Ų13844.7 Ų44.765%0.64523%0.225SC*.G310 helixtrans-57-30-179.362-79.2164.800113.6F81 R82E79-F81 PolarHBondContact O-N 3.46Å; E79-R82 WeakPolarHBondContact O-CB 3.46Å; E79-R82 WeakPolarHBondContact O-CG 3.43Å; E79-R82 PolarHBondContact O-N 3.35Å; E79-R82 VanDerWaalsContact O-N 3.16Å
80R59.1Low76Confident181 Ų18152.3 Ų52.368%0.68325%0.253SS*.G310 helixtrans-64-18.4179.2-62.3-173.9-64.3170.50.9114.1Q78Q78-R80 PolarHBondContact O-N 2.98Å
81F60.8Low75.5Confident56 Ų5657.2 Ų57.225%0.24628%0.279CS..G310 helixtrans-107.48.5178.6-59.7-65.3000113.4V42 A76 Q78 E79 S83 L84 T85V42-F81 HydrophobicContact CG1-CZ 4.32Å; A76-F81 HydrophobicContact CB-CB 4.01Å; A76-F81 HydrophobicContact CB-CD2 3.63Å; A76-F81 HydrophobicContact CB-CE2 4.45Å; A76-F81 HydrophobicContact CB-CG 4.08Å; Q78-F81 HydrophobicContact CB-CD2 4.05Å; Q78-F81 PolarHBondContact O-N 2.8Å; E79-F81 PolarHBondContact O-N 3.46Å; F81-S83 VanDerWaalsContact C-N 3.33Å; F81-S83 PolarHBondContact O-N 2.94Å; F81-L84 PolarHBondContact O-N 3.34Å; F81-T85 PolarHBondContact O-N 3.37Å; F81-T85 VanDerWaalsContact O-N 3.15Å; F81-T85 PolarHBondContact O-OG1 2.63Å
82R64.5Low75.3Confident68 Ų6856 Ų5626%0.25727%0.274SS..Hα-helixtrans-61.1-36.9-178.2-76.1-178.1104.9132.713.3113.6E79 L84 T85 T86 Q116E79-R82 WeakPolarHBondContact O-CB 3.46Å; E79-R82 WeakPolarHBondContact O-CG 3.43Å; E79-R82 PolarHBondContact O-N 3.35Å; E79-R82 VanDerWaalsContact O-N 3.16Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 2.83Å; R82-T85 WeakPolarHBondContact O-CB 3.44Å; R82-T85 PolarHBondContact O-N 3.28Å; R82-T86 PolarHBondContact O-N 2.82Å; R82-T86 PolarHBondContact O-OG1 3.46Å; R82-Q116 VanDerWaalsContact NE-NE2 3.16Å; R82-Q116 VanDerWaalsContact NE-OE1 3.16Å
83S64.1Low75.2Confident100 Ų10057.8 Ų57.870%0.69928%0.283SS*.Hα-helixtrans-64.8-36.9177.653.30000112.9F81 T85 T86F81-S83 VanDerWaalsContact C-N 3.33Å; F81-S83 PolarHBondContact O-N 2.94Å; S83-T85 VanDerWaalsContact C-N 3.3Å; S83-T86 PolarHBondContact O-OG1 3.03Å
84L64.9Low75.3Confident84 Ų8455.4 Ų55.444%0.4427%0.274SS..Hα-helixtrans-67.3-35.7174.4-173.665.2000111.2I44 F81 R82 F88I44-L84 HydrophobicContact CD1-CD2 4.41Å; I44-L84 HydrophobicContact CD1-CG 4.15Å; F81-L84 PolarHBondContact O-N 3.34Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 2.83Å; L84-F88 VanDerWaalsContact O-CD2 3.26Å; L84-F88 WeakPolarHBondContact O-CD2 3.27Å; L84-F88 WeakPolarHBondContact O-CE2 3.43Å
85T67.8Low75.6Confident2 Ų255.2 Ų55.21%0.01227%0.273CS..Hα-helixtrans-70-34.7-175.3-56.20000112.3L15 T75 F81 R82 S83 A87 F88 F89L15-T85 HydrophobicContact CD2-CG2 4.07Å; T75-T85 HydrophobicContact CG2-CG2 3.89Å; F81-T85 PolarHBondContact O-N 3.37Å; F81-T85 VanDerWaalsContact O-N 3.15Å; F81-T85 PolarHBondContact O-OG1 2.63Å; R82-T85 WeakPolarHBondContact O-CB 3.44Å; R82-T85 PolarHBondContact O-N 3.28Å; S83-T85 VanDerWaalsContact C-N 3.3Å; T85-A87 VanDerWaalsContact C-N 3.29Å; T85-A87 PolarHBondContact O-N 3.33Å; T85-F88 PolarHBondContact O-N 3.19Å; T85-F88 VanDerWaalsContact O-N 3.12Å; T85-F89 HydrophobicContact CG2-CD1 4.26Å; T85-F89 HydrophobicContact CG2-CE1 3.31Å; T85-F89 HydrophobicContact CG2-CZ 3.84Å; T85-F89 WeakPolarHBondContact O-CD1 3.49Å; T85-F89 WeakPolarHBondContact O-CE1 3.41Å
86T71.6Confident76.2Confident38 Ų3855.2 Ų55.223%0.23327%0.273CS..Hα-helixtrans-60.1-29.8179.614.80000115.1R82 S83 F88 F89 H120R82-T86 PolarHBondContact O-N 2.82Å; R82-T86 PolarHBondContact O-OG1 3.46Å; S83-T86 PolarHBondContact O-OG1 3.03Å; T86-F88 VanDerWaalsContact C-N 3.26Å; T86-F88 PolarHBondContact O-N 3.14Å; T86-F89 PolarHBondContact O-N 2.96Å; T86-H120 HydrophobicContact CG2-CB 4.08Å; T86-H120 VanDerWaalsContact CG2-CD2 3.41Å; T86-H120 WeakPolarHBondContact CG2-CD2 3.27Å
87A73.4Confident77.1Confident64 Ų6455.1 Ų55.153%0.52927%0.272SS..Hα-helixtrans-64.8-32.9177.700000112.1T85 F89T85-A87 VanDerWaalsContact C-N 3.29Å; T85-A87 PolarHBondContact O-N 3.33Å; A87-F89 VanDerWaalsContact C-N 3.34Å
88F78.4Confident78.6Confident52 Ų5254.7 Ų54.723%0.22827%0.267CS..Hα-helixtrans-82.5-13.1-176.6-64.8-95.3000113L13 I44 W73 L84 T85 T86 R90 D91 A92L13-F88 HydrophobicContact CD1-CB 4.38Å; L13-F88 HydrophobicContact CD2-CB 4.36Å; I44-F88 HydrophobicContact CD1-CD1 4.27Å; I44-F88 HydrophobicContact CD1-CD2 3.15Å; I44-F88 HydrophobicContact CD1-CE1 4.19Å; I44-F88 HydrophobicContact CD1-CE2 3.07Å; I44-F88 HydrophobicContact CD1-CG 3.79Å; I44-F88 HydrophobicContact CD1-CZ 3.62Å; I44-F88 HydrophobicContact CG1-CE2 4.47Å; I44-F88 HydrophobicContact CG2-CE1 4.34Å; W73-F88 HydrophobicContact CD2-CD1 4.44Å; W73-F88 AromaticContact CE3-CD1 3.85Å; W73-F88 HydrophobicContact CE3-CD1 3.85Å; W73-F88 AromaticContact CE3-CE1 3.91Å; W73-F88 HydrophobicContact CE3-CE1 3.91Å; W73-F88 HydrophobicContact CH2-CD1 4.41Å; W73-F88 HydrophobicContact CH2-CE1 4.04Å; W73-F88 AromaticContact CZ3-CD1 3.84Å; W73-F88 HydrophobicContact CZ3-CD1 3.84Å; W73-F88 AromaticContact CZ3-CE1 3.45Å; W73-F88 HydrophobicContact CZ3-CE1 3.45Å; W73-F88 VanDerWaalsContact CZ3-CE1 3.45Å; L84-F88 VanDerWaalsContact O-CD2 3.26Å; L84-F88 WeakPolarHBondContact O-CD2 3.27Å; L84-F88 WeakPolarHBondContact O-CE2 3.43Å; T85-F88 PolarHBondContact O-N 3.19Å; T85-F88 VanDerWaalsContact O-N 3.12Å; T86-F88 VanDerWaalsContact C-N 3.26Å; T86-F88 PolarHBondContact O-N 3.14Å; F88-R90 PolarHBondContact O-N 2.86Å; F88-D91 PolarHBondContact O-N 3.33Å; F88-A92 PolarHBondContact O-N 3.45Å
89F82.4Confident80.3Confident1 Ų152.7 Ų52.70%0.00426%0.258CS..Hα-helixtrans-67.2-31.1179.5-73.116.5000111.5L13 L15 T85 T86 A87 F95 W113 Q116 L117 H120L13-F89 HydrophobicContact CD2-CD1 3.44Å; L13-F89 VanDerWaalsContact CD2-CD1 3.44Å; L13-F89 HydrophobicContact CD2-CE1 3.66Å; L15-F89 HydrophobicContact CD1-CE1 3.93Å; L15-F89 HydrophobicContact CD1-CZ 3.88Å; L15-F89 HydrophobicContact CD2-CE1 3.52Å; L15-F89 HydrophobicContact CD2-CZ 3.86Å; L15-F89 HydrophobicContact CG-CE1 4.39Å; T85-F89 HydrophobicContact CG2-CD1 4.26Å; T85-F89 HydrophobicContact CG2-CE1 3.31Å; T85-F89 HydrophobicContact CG2-CZ 3.84Å; T85-F89 WeakPolarHBondContact O-CD1 3.49Å; T85-F89 WeakPolarHBondContact O-CE1 3.41Å; T86-F89 PolarHBondContact O-N 2.96Å; A87-F89 VanDerWaalsContact C-N 3.34Å; F89-F95 WeakPolarHBondContact O-CZ 3.25Å; F89-W113 HydrophobicContact CZ-CZ3 4.42Å; F89-Q116 HydrophobicContact CE2-CB 4.05Å; F89-L117 HydrophobicContact CD2-CD2 4Å; F89-L117 HydrophobicContact CE2-CD2 4.07Å; F89-L117 HydrophobicContact CG-CD2 4.46Å; F89-H120 HydrophobicContact CB-CB 4.24Å; F89-H120 HydrophobicContact CD2-CB 3.83Å; F89-H120 HydrophobicContact CG-CB 4.46Å
90R82.2Confident82.1Confident177 Ų17746.5 Ų46.567%0.66823%0.229SC*.THydrogen-bonded Turntrans-75.6-28.8-180-67.4-178.6177.1175.1-2113.1F88 H120F88-R90 PolarHBondContact O-N 2.86Å; R90-H120 VanDerWaalsContact CG-O 3.29Å; R90-H120 WeakPolarHBondContact CG-O 3.36Å
91D85.2Confident84Confident103 Ų10338 Ų3855%0.55120%0.197SC*.THydrogen-bonded Turntrans-91.6-13.7-176.7-68.5-12.2000112.8K11 F88K11-D91 WeakPolarHBondContact CD-O 3.44Å; F88-D91 PolarHBondContact O-N 3.33Å
92A91.8Very high85.8Confident4 Ų437 Ų373%0.03320%0.196CC..  trans-82.7136177.600000111.4L13 F88 F95 Y122L13-A92 HydrophobicContact CB-CB 3.75Å; L13-A92 HydrophobicContact CD2-CB 4.4Å; F88-A92 PolarHBondContact O-N 3.45Å; A92-F95 HydrophobicContact CB-CD1 4.41Å; A92-F95 HydrophobicContact CB-CE1 3.67Å; A92-F95 HydrophobicContact CB-CZ 3.81Å; A92-Y122 WeakPolarHBondContact O-CD1 3.47Å
93M94Very high87.4Confident38 Ų3837 Ų3719%0.18720%0.201CC..SBendtrans-90.2-26.5178-62172.768.700112.3I10 K11 I181 R184 M185I10-M93 HydrophobicContact CB-SD 4.23Å; I10-M93 HydrophobicContact CG1-CE 4.21Å; I10-M93 HydrophobicContact CG1-SD 4.17Å; I10-M93 HydrophobicContact CG2-SD 4.12Å; K11-M93 PolarHBondContact O-N 3Å; M93-I181 HydrophobicContact CB-CD1 4.27Å; M93-I181 HydrophobicContact CB-CG2 4.39Å; M93-I181 HydrophobicContact CE-CG2 3.62Å; M93-R184 PolarHBondContact O-NH2 2.81Å; M93-M185 HydrophobicContact CE-CE 3.22Å; M93-M185 HydrophobicContact CE-CG 4.5Å; M93-M185 HydrophobicContact CE-SD 3.71Å
94G96Very high89Confident0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-146.8153.4-17700000112.5K11 F12 L13 D127 I181K11-G94 PolarHBondContact O-N 3.48Å; F12-G94 VanDerWaalsContact CA-O 3.31Å; F12-G94 WeakPolarHBondContact CA-O 3.12Å; L13-G94 PolarHBondContact N-O 3.08Å; G94-D127 WeakPolarHBondContact CA-O 3.45Å; G94-I181 VanDerWaalsContact CA-CD1 3.5Å
95F96.8Very high90.5Very high0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-125.8127.7-176.9-55.5-87.2000111.5L13 L15 F89 A92 L117 A121 P126 D127 V128 V129L13-F95 HydrophobicContact CB-CD1 3.9Å; L13-F95 HydrophobicContact CB-CE1 4.14Å; L13-F95 HydrophobicContact CD2-CD1 4.15Å; L13-F95 HydrophobicContact CD2-CE1 3.9Å; L13-F95 WeakPolarHBondContact O-CA 3.39Å; L15-F95 HydrophobicContact CD1-CD1 3.64Å; L15-F95 HydrophobicContact CD1-CE1 4.32Å; L15-F95 HydrophobicContact CD1-CG 4.42Å; L15-F95 HydrophobicContact CG-CD1 4.45Å; F89-F95 WeakPolarHBondContact O-CZ 3.25Å; A92-F95 HydrophobicContact CB-CD1 4.41Å; A92-F95 HydrophobicContact CB-CE1 3.67Å; A92-F95 HydrophobicContact CB-CZ 3.81Å; F95-L117 HydrophobicContact CB-CD1 4.14Å; F95-L117 HydrophobicContact CB-CD2 4.49Å; F95-L117 HydrophobicContact CD1-CD2 3.39Å; F95-L117 HydrophobicContact CD2-CD2 4Å; F95-L117 HydrophobicContact CE1-CD2 3.42Å; F95-L117 VanDerWaalsContact CE1-CD2 3.42Å; F95-L117 HydrophobicContact CE2-CD2 4.05Å; F95-L117 HydrophobicContact CG-CD1 4.13Å; F95-L117 HydrophobicContact CG-CD2 3.68Å; F95-L117 HydrophobicContact CZ-CD2 3.75Å; F95-A121 HydrophobicContact CE2-CB 4.13Å; F95-A121 HydrophobicContact CZ-CB 4.07Å; F95-P126 HydrophobicContact CD2-CB 3.76Å; F95-P126 HydrophobicContact CD2-CG 4.38Å; F95-P126 HydrophobicContact CE2-CB 3.49Å; F95-P126 VanDerWaalsContact CE2-CB 3.49Å; F95-P126 HydrophobicContact CE2-CG 4.26Å; F95-D127 PolarHBondContact N-O 3.36Å; F95-V128 HydrophobicContact CB-CG1 4.35Å; F95-V128 HydrophobicContact CB-CG2 4.19Å; F95-V128 HydrophobicContact CD2-CG2 4.29Å; F95-V128 WeakPolarHBondContact O-CA 3.43Å; F95-V129 PolarHBondContact O-N 3.5Å
96L98.1Very high92Very high0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-94.4102.3166.7-66.7162.6000106.8L13 A14 L15 F25 L26 L98 V129 V174 L177L13-L96 PolarHBondContact O-N 2.87Å; A14-L96 CarbonylContact C-O 3.55Å; A14-L96 WeakPolarHBondContact CA-O 3.09Å; L15-L96 PolarHBondContact N-O 2.81Å; F25-L96 HydrophobicContact CE1-CD1 3.94Å; F25-L96 HydrophobicContact CE1-CD2 4.46Å; L26-L96 HydrophobicContact CD2-CD1 4.09Å; L96-L98 HydrophobicContact CB-CD1 3.83Å; L96-L98 VanDerWaalsContact O-CD1 3.25Å; L96-L98 WeakPolarHBondContact O-CD1 3.35Å; L96-V129 HydrophobicContact CD2-CB 4.46Å; L96-V174 HydrophobicContact CD1-CG2 4.1Å; L96-V174 HydrophobicContact CD2-CG2 4.32Å; L96-L177 HydrophobicContact CD2-CD2 3.84Å; L96-L177 HydrophobicContact CG-CD2 3.75Å
97L97.6Very high93.3Very high0 Ų037.2 Ų37.20%019%0.186CC..EExtended strand (participates in β ladder)trans-94.8107.1-179.4-178.753.8000109.8L15 V110 W113 M114 V128 V129 L130 C131L15-L97 HydrophobicContact CB-CD1 4.01Å; L97-V110 HydrophobicContact CD2-CG1 3.79Å; L97-V110 HydrophobicContact CG-CG1 4.42Å; L97-W113 HydrophobicContact CD1-CB 3.56Å; L97-W113 HydrophobicContact CD1-CG 3.96Å; L97-W113 HydrophobicContact CD2-CB 4.22Å; L97-M114 HydrophobicContact CD2-CG 3.71Å; L97-M114 HydrophobicContact CD2-SD 3.59Å; L97-M114 VanDerWaalsContact CD2-SD 3.59Å; L97-V128 HydrophobicContact CB-CG1 3.86Å; L97-V129 PolarHBondContact N-O 3.5Å; L97-L130 HydrophobicContact CB-CD1 4.45Å; L97-L130 HydrophobicContact CD2-CD1 4.37Å; L97-L130 HydrophobicContact CG-CD1 4.15Å; L97-L130 WeakPolarHBondContact O-CA 3.22Å; L97-C131 PolarHBondContact O-N 2.94Å
98L98.3Very high94.4Very high1 Ų137.7 Ų37.71%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-100.1141.8-175.7-74.174.4000111.8L15 G16 V20 K22 F25 L96 C131 N133L15-L98 PolarHBondContact O-N 3.47Å; G16-L98 WeakPolarHBondContact CA-O 3.35Å; V20-L98 HydrophobicContact CG2-CB 3.83Å; K22-L98 HydrophobicContact CG-CB 4.36Å; K22-L98 HydrophobicContact CG-CD2 4.22Å; F25-L98 HydrophobicContact CB-CD2 3.84Å; F25-L98 HydrophobicContact CD2-CD2 4.23Å; F25-L98 HydrophobicContact CG-CD2 4Å; L96-L98 HydrophobicContact CB-CD1 3.83Å; L96-L98 VanDerWaalsContact O-CD1 3.25Å; L96-L98 WeakPolarHBondContact O-CD1 3.35Å; L98-C131 WeakPolarHBondContact CA-O 3.32Å; L98-C131 HydrophobicContact CD1-CB 4.27Å; L98-C131 HydrophobicContact CG-CB 3.84Å; L98-N133 HydrophobicContact CD2-CB 4.47Å
99F98.6Very high95.2Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-130.8168.8159.271.7-84.9000109.5L101 F107 V110 L130 C131 G132 N133 V143 A148 Y159F99-L101 HydrophobicContact CE2-CD2 3.84Å; F99-L101 HydrophobicContact CE2-CG 4.36Å; F99-L101 HydrophobicContact CZ-CD2 4.14Å; F99-F107 HydrophobicContact CD1-CD2 4.14Å; F99-F107 HydrophobicContact CD2-CB 3.71Å; F99-F107 AromaticContact CD2-CD2 3.86Å; F99-F107 HydrophobicContact CD2-CD2 3.86Å; F99-F107 HydrophobicContact CD2-CG 4.23Å; F99-F107 AromaticContact CE1-CD2 3.99Å; F99-F107 HydrophobicContact CE1-CD2 3.99Å; F99-F107 HydrophobicContact CE1-CE2 4.41Å; F99-F107 HydrophobicContact CE2-CB 4.13Å; F99-F107 AromaticContact CE2-CD2 3.69Å; F99-F107 HydrophobicContact CE2-CD2 3.69Å; F99-F107 HydrophobicContact CE2-CG 4.23Å; F99-F107 HydrophobicContact CG-CB 4.22Å; F99-F107 HydrophobicContact CG-CD2 4.08Å; F99-F107 AromaticContact CZ-CD2 3.76Å; F99-F107 HydrophobicContact CZ-CD2 3.76Å; F99-F107 HydrophobicContact CZ-CE2 4.22Å; F99-V110 HydrophobicContact CB-CG2 3.85Å; F99-V110 HydrophobicContact CD1-CG2 4.05Å; F99-V110 HydrophobicContact CG-CG2 4.19Å; F99-L130 HydrophobicContact CD1-CD1 3.92Å; F99-L130 HydrophobicContact CD1-CG 4.28Å; F99-L130 HydrophobicContact CE1-CD1 4.12Å; F99-L130 HydrophobicContact CE1-CD2 4.13Å; F99-L130 HydrophobicContact CE1-CG 3.97Å; F99-C131 WeakPolarHBondContact CD1-O 3.35Å; F99-C131 PolarHBondContact N-O 3.35Å; F99-G132 VanDerWaalsContact CE1-CA 3.47Å; F99-G132 VanDerWaalsContact CZ-CA 3.47Å; F99-N133 PolarHBondContact O-N 3.11Å; F99-V143 HydrophobicContact CE2-CB 4.15Å; F99-V143 HydrophobicContact CE2-CG1 3.89Å; F99-V143 HydrophobicContact CE2-CG2 4.32Å; F99-V143 HydrophobicContact CZ-CG1 4.42Å; F99-A148 HydrophobicContact CE1-CB 4.38Å; F99-A148 HydrophobicContact CZ-CB 3.71Å; F99-Y159 AromaticContact CE1-CE2 3.86Å; F99-Y159 HydrophobicContact CE1-CE2 3.86Å; F99-Y159 AromaticContact CZ-CE2 3.94Å; F99-Y159 HydrophobicContact CZ-CE2 3.94Å
100D98.4Very high95.9Very high8 Ų837 Ų374%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-102.8122.4-180179.1-2.8000110.1V20 T102 N103 S106 K134V20-D100 HydrophobicContact CB-CB 4.19Å; V20-D100 HydrophobicContact CG1-CB 4.11Å; D100-T102 PolarHBondContact O-N 3.19Å; D100-T102 VanDerWaalsContact O-N 3.17Å; D100-T102 PolarHBondContact OD1-N 2.68Å; D100-T102 PolarHBondContact OD1-OG1 2.95Å; D100-T102 VanDerWaalsContact OD1-OG1 3.06Å; D100-T102 PolarHBondContact OD2-OG1 2.92Å; D100-N103 HydrophobicContact CB-CB 3.99Å; D100-N103 CarbonylContact O-C 3.57Å; D100-N103 PolarHBondContact O-N 3.26Å; D100-S106 PolarHBondContact N-OG 3.2Å; D100-S106 PolarHBondContact O-OG 3.08Å; D100-K134 WeakPolarHBondContact OD1-CD 3.43Å; D100-K134 VanDerWaalsContact OD2-CE 3.25Å; D100-K134 WeakPolarHBondContact OD2-CE 3.36Å; D100-K134 IonicContact OD2-NZ 3.55Å; D100-K134 PolarHBondContact OD2-NZ 3.03Å
101L98.8Very high96.5Very high2 Ų234.8 Ų34.81%0.0117%0.17CC..THydrogen-bonded Turntrans-62.3-20.6179.5-74.9167.5000113.1F99 G132 N133 C135 A142 V143 E161F99-L101 HydrophobicContact CE2-CD2 3.84Å; F99-L101 HydrophobicContact CE2-CG 4.36Å; F99-L101 HydrophobicContact CZ-CD2 4.14Å; L101-G132 VanDerWaalsContact CD1-O 3.22Å; L101-G132 WeakPolarHBondContact CD1-O 3.49Å; L101-N133 WeakPolarHBondContact CB-O 3.32Å; L101-N133 WeakPolarHBondContact CG-O 3.39Å; L101-N133 PolarHBondContact N-O 2.97Å; L101-C135 HydrophobicContact CD1-CB 3.51Å; L101-A142 PolarHBondContact O-N 2.73Å; L101-V143 HydrophobicContact CD2-CB 4.35Å; L101-V143 PolarHBondContact O-N 3.38Å; L101-V143 VanDerWaalsContact O-N 3.1Å; L101-E161 HydrophobicContact CD1-CB 4.26Å; L101-E161 HydrophobicContact CD1-CG 4.06Å; L101-E161 HydrophobicContact CD2-CG 4.5Å
102T98.4Very high96.9Very high34 Ų3433.9 Ų33.921%0.20917%0.165CC..THydrogen-bonded Turntrans-93.33.3176.479.70000113.1D100 L137 Q140D100-T102 PolarHBondContact O-N 3.19Å; D100-T102 VanDerWaalsContact O-N 3.17Å; D100-T102 PolarHBondContact OD1-N 2.68Å; D100-T102 PolarHBondContact OD1-OG1 2.95Å; D100-T102 VanDerWaalsContact OD1-OG1 3.06Å; D100-T102 PolarHBondContact OD2-OG1 2.92Å; T102-L137 HydrophobicContact CG2-CB 3.68Å; T102-L137 HydrophobicContact CG2-CD1 4.04Å; T102-L137 HydrophobicContact CG2-CG 4.5Å; T102-Q140 VanDerWaalsContact CA-O 3.29Å; T102-Q140 WeakPolarHBondContact CA-O 3.27Å; T102-Q140 VanDerWaalsContact CB-O 3.26Å; T102-Q140 WeakPolarHBondContact CB-O 3.41Å; T102-Q140 HydrophobicContact CG2-CB 3.78Å
103N98.1Very high96.9Very high69 Ų6933.9 Ų33.937%0.36916%0.164SC..  trans-136.698.7-177.6-177.8-17.2000111.4D100 Q105 S106D100-N103 HydrophobicContact CB-CB 3.99Å; D100-N103 CarbonylContact O-C 3.57Å; D100-N103 PolarHBondContact O-N 3.26Å; N103-Q105 VanDerWaalsContact C-N 3.29Å; N103-Q105 PolarHBondContact O-N 3.43Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.37Å; N103-Q105 PolarHBondContact OD1-N 2.84Å; N103-Q105 VanDerWaalsContact OD1-N 3.08Å; N103-S106 WeakPolarHBondContact O-CB 3.48Å; N103-S106 PolarHBondContact O-N 2.88Å; N103-S106 VanDerWaalsContact O-N 3.15Å; N103-S106 PolarHBondContact O-OG 2.92Å; N103-S106 PolarHBondContact OD1-N 2.93Å
104E98Very high96.8Very high104 Ų10432.6 Ų32.649%0.48616%0.158SC..Hα-helixtrans-57.7-37-180-174.1177.3-156.300113.3S106 F107 L108 A142 V143E104-S106 VanDerWaalsContact C-N 3.27Å; E104-S106 PolarHBondContact O-N 3.29Å; E104-F107 WeakPolarHBondContact O-CB 3.19Å; E104-F107 PolarHBondContact O-N 3.08Å; E104-L108 HydrophobicContact CG-CD1 4.5Å; E104-L108 HydrophobicContact CG-CG 4.47Å; E104-L108 PolarHBondContact O-N 3.03Å; E104-A142 HydrophobicContact CB-CB 4.3Å; E104-V143 HydrophobicContact CB-CG2 4.48Å
105Q97.6Very high96.6Very high105 Ų10535.2 Ų35.249%0.49118%0.176SC..Hα-helixtrans-62.2-38179.9-174.659.655.900111.6N103 F107 L108 N109N103-Q105 VanDerWaalsContact C-N 3.29Å; N103-Q105 PolarHBondContact O-N 3.43Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.37Å; N103-Q105 PolarHBondContact OD1-N 2.84Å; N103-Q105 VanDerWaalsContact OD1-N 3.08Å; Q105-F107 VanDerWaalsContact C-N 3.26Å; Q105-F107 PolarHBondContact O-N 2.91Å; Q105-L108 PolarHBondContact O-N 3.1Å; Q105-N109 PolarHBondContact NE2-OD1 3.43Å; Q105-N109 WeakPolarHBondContact O-CB 3.42Å; Q105-N109 VanDerWaalsContact O-CG 3.29Å; Q105-N109 PolarHBondContact O-N 3.47Å; Q105-N109 PolarHBondContact O-ND2 3.14Å
106S97.8Very high96.2Very high2 Ų237.5 Ų37.51%0.01419%0.186CC..Hα-helixtrans-63.7-34176.577.70000112.2D100 N103 E104 V110D100-S106 PolarHBondContact N-OG 3.2Å; D100-S106 PolarHBondContact O-OG 3.08Å; N103-S106 WeakPolarHBondContact O-CB 3.48Å; N103-S106 PolarHBondContact O-N 2.88Å; N103-S106 VanDerWaalsContact O-N 3.15Å; N103-S106 PolarHBondContact O-OG 2.92Å; N103-S106 PolarHBondContact OD1-N 2.93Å; E104-S106 VanDerWaalsContact C-N 3.27Å; E104-S106 PolarHBondContact O-N 3.29Å; S106-V110 PolarHBondContact O-N 3.01Å
107F98.6Very high95.8Very high17 Ų1737.5 Ų37.58%0.07519%0.186CC..Hα-helixtrans-71.3-43.2174.7175.1-111000112.1F99 E104 Q105 N109 V110 V143 Q147 A148 L151F99-F107 HydrophobicContact CD1-CD2 4.14Å; F99-F107 HydrophobicContact CD2-CB 3.71Å; F99-F107 AromaticContact CD2-CD2 3.86Å; F99-F107 HydrophobicContact CD2-CD2 3.86Å; F99-F107 HydrophobicContact CD2-CG 4.23Å; F99-F107 AromaticContact CE1-CD2 3.99Å; F99-F107 HydrophobicContact CE1-CD2 3.99Å; F99-F107 HydrophobicContact CE1-CE2 4.41Å; F99-F107 HydrophobicContact CE2-CB 4.13Å; F99-F107 AromaticContact CE2-CD2 3.69Å; F99-F107 HydrophobicContact CE2-CD2 3.69Å; F99-F107 HydrophobicContact CE2-CG 4.23Å; F99-F107 HydrophobicContact CG-CB 4.22Å; F99-F107 HydrophobicContact CG-CD2 4.08Å; F99-F107 AromaticContact CZ-CD2 3.76Å; F99-F107 HydrophobicContact CZ-CD2 3.76Å; F99-F107 HydrophobicContact CZ-CE2 4.22Å; E104-F107 WeakPolarHBondContact O-CB 3.19Å; E104-F107 PolarHBondContact O-N 3.08Å; Q105-F107 VanDerWaalsContact C-N 3.26Å; Q105-F107 PolarHBondContact O-N 2.91Å; F107-N109 PolarHBondContact O-N 3.31Å; F107-V110 HydrophobicContact CD2-CG2 4.45Å; F107-V110 WeakPolarHBondContact O-CB 3.46Å; F107-V110 VanDerWaalsContact O-CG2 3.27Å; F107-V110 WeakPolarHBondContact O-CG2 3.2Å; F107-V110 PolarHBondContact O-N 3.3Å; F107-V110 VanDerWaalsContact O-N 3.1Å; F107-V143 HydrophobicContact CB-CG1 4.33Å; F107-V143 HydrophobicContact CB-CG2 3.72Å; F107-V143 HydrophobicContact CD1-CG1 3.93Å; F107-V143 HydrophobicContact CD1-CG2 4.36Å; F107-V143 HydrophobicContact CD2-CG1 4.03Å; F107-V143 HydrophobicContact CE1-CG1 4.22Å; F107-V143 HydrophobicContact CE2-CG1 4.32Å; F107-V143 HydrophobicContact CG-CG1 3.82Å; F107-V143 HydrophobicContact CG-CG2 4.1Å; F107-V143 HydrophobicContact CZ-CG1 4.4Å; F107-Q147 HydrophobicContact CE1-CB 4.32Å; F107-Q147 HydrophobicContact CZ-CB 4.36Å; F107-A148 HydrophobicContact CE2-CB 3.97Å; F107-A148 HydrophobicContact CZ-CB 4.46Å; F107-L151 HydrophobicContact CD2-CD2 4.21Å; F107-L151 HydrophobicContact CE2-CB 4.16Å; F107-L151 HydrophobicContact CE2-CD2 3.42Å; F107-L151 VanDerWaalsContact CE2-CD2 3.42Å; F107-L151 HydrophobicContact CE2-CG 4.42Å; F107-L151 HydrophobicContact CZ-CB 3.93Å; F107-L151 HydrophobicContact CZ-CD2 3.64Å; F107-L151 HydrophobicContact CZ-CG 4.38Å
108L97.5Very high95.3Very high74 Ų7442.1 Ų42.139%0.38721%0.208SC..Hα-helixtrans-59.9-37175.2-65.5177.2000111.7E104 Q105 V110 R111E104-L108 HydrophobicContact CG-CD1 4.5Å; E104-L108 HydrophobicContact CG-CG 4.47Å; E104-L108 PolarHBondContact O-N 3.03Å; Q105-L108 PolarHBondContact O-N 3.1Å; L108-V110 PolarHBondContact O-N 3.39Å; L108-R111 PolarHBondContact O-N 3.26Å
109N96.1Very high94.8Very high37 Ų3747.5 Ų47.520%0.19824%0.236CC..THydrogen-bonded Turntrans-70.4-13.9178.6-74-19.8000114.1D17 Q105 F107 R111 N112 W113D17-N109 PolarHBondContact OD2-ND2 3.33Å; Q105-N109 PolarHBondContact NE2-OD1 3.43Å; Q105-N109 WeakPolarHBondContact O-CB 3.42Å; Q105-N109 VanDerWaalsContact O-CG 3.29Å; Q105-N109 PolarHBondContact O-N 3.47Å; Q105-N109 PolarHBondContact O-ND2 3.14Å; F107-N109 PolarHBondContact O-N 3.31Å; N109-R111 PolarHBondContact O-N 3.34Å; N109-N112 WeakPolarHBondContact O-CB 3.27Å; N109-N112 PolarHBondContact O-N 3.3Å; N109-W113 PolarHBondContact O-N 2.91Å; N109-W113 VanDerWaalsContact O-N 3.1Å
110V96.4Very high94.2Very high1 Ų150.5 Ų50.51%0.00625%0.25CC..Hα-helixtrans-53.2-38.2173.4171.50000111.2L97 F99 S106 F107 L108 N112 W113 M114 L130 L151L97-V110 HydrophobicContact CD2-CG1 3.79Å; L97-V110 HydrophobicContact CG-CG1 4.42Å; F99-V110 HydrophobicContact CB-CG2 3.85Å; F99-V110 HydrophobicContact CD1-CG2 4.05Å; F99-V110 HydrophobicContact CG-CG2 4.19Å; S106-V110 PolarHBondContact O-N 3.01Å; F107-V110 HydrophobicContact CD2-CG2 4.45Å; F107-V110 WeakPolarHBondContact O-CB 3.46Å; F107-V110 VanDerWaalsContact O-CG2 3.27Å; F107-V110 WeakPolarHBondContact O-CG2 3.2Å; F107-V110 PolarHBondContact O-N 3.3Å; F107-V110 VanDerWaalsContact O-N 3.1Å; L108-V110 PolarHBondContact O-N 3.39Å; V110-N112 VanDerWaalsContact C-N 3.31Å; V110-N112 PolarHBondContact O-N 3.19Å; V110-W113 PolarHBondContact O-N 3.39Å; V110-M114 HydrophobicContact CG1-CG 4.35Å; V110-M114 WeakPolarHBondContact O-CG 3.43Å; V110-M114 PolarHBondContact O-N 2.81Å; V110-L130 HydrophobicContact CG1-CD1 3.74Å; V110-L130 HydrophobicContact CG2-CD1 4.19Å; V110-L151 HydrophobicContact CB-CD2 4.1Å; V110-L151 HydrophobicContact CG1-CD2 3.8Å
111R95Very high93.5Very high132 Ų13250.9 Ų50.950%0.49825%0.253SS..Hα-helixtrans-61.7-39.4178-62.6-179.1-178.4165.22.9112.2L108 N109 S115 L151L108-R111 PolarHBondContact O-N 3.26Å; N109-R111 PolarHBondContact O-N 3.34Å; R111-S115 WeakPolarHBondContact O-CB 3.48Å; R111-S115 PolarHBondContact O-N 2.58Å; R111-L151 HydrophobicContact CG-CD1 4.36Å
112N92.6Very high92.6Very high83 Ų8355.9 Ų55.944%0.44427%0.273SS..Hα-helixtrans-68.7-40.3177.7-63.3-26.2000110.8N109 V110 S115 Q116N109-N112 WeakPolarHBondContact O-CB 3.27Å; N109-N112 PolarHBondContact O-N 3.3Å; V110-N112 VanDerWaalsContact C-N 3.31Å; V110-N112 PolarHBondContact O-N 3.19Å; N112-S115 PolarHBondContact O-N 2.73Å; N112-Q116 WeakPolarHBondContact O-CG 3.46Å; N112-Q116 PolarHBondContact O-N 2.86Å; N112-Q116 VanDerWaalsContact O-N 3.07Å
113W92.3Very high91.7Very high4 Ų456 Ų562%0.01528%0.275CS..Hα-helixtrans-64.4-45174.9-72.2111.5000112.3L15 G16 D17 F89 L97 N109 V110 S115 Q116 L117L15-W113 HydrophobicContact CB-CE3 4.44Å; L15-W113 HydrophobicContact CD2-CZ3 4.36Å; G16-W113 WeakPolarHBondContact O-CZ2 3.44Å; D17-W113 PolarHBondContact OD1-NE1 3.34Å; F89-W113 HydrophobicContact CZ-CZ3 4.42Å; L97-W113 HydrophobicContact CD1-CB 3.56Å; L97-W113 HydrophobicContact CD1-CG 3.96Å; L97-W113 HydrophobicContact CD2-CB 4.22Å; N109-W113 PolarHBondContact O-N 2.91Å; N109-W113 VanDerWaalsContact O-N 3.1Å; V110-W113 PolarHBondContact O-N 3.39Å; W113-S115 VanDerWaalsContact C-N 3.33Å; W113-S115 PolarHBondContact O-N 3.14Å; W113-Q116 PolarHBondContact O-N 3.45Å; W113-L117 WeakPolarHBondContact O-CG 3.31Å; W113-L117 PolarHBondContact O-N 3.42Å
114M92.8Very high90.6Very high12 Ų1260.4 Ų60.46%0.05929%0.293CS..Hα-helixtrans-59.5-43.1174.7-76.5-59.6-6800112.1L97 V110 Q116 L117 Q118 V128 Y155 I157L97-M114 HydrophobicContact CD2-CG 3.71Å; L97-M114 HydrophobicContact CD2-SD 3.59Å; L97-M114 VanDerWaalsContact CD2-SD 3.59Å; V110-M114 HydrophobicContact CG1-CG 4.35Å; V110-M114 WeakPolarHBondContact O-CG 3.43Å; V110-M114 PolarHBondContact O-N 2.81Å; M114-Q116 VanDerWaalsContact C-N 3.32Å; M114-Q116 PolarHBondContact O-N 2.83Å; M114-L117 WeakPolarHBondContact O-CB 3.46Å; M114-L117 PolarHBondContact O-N 3.33Å; M114-L117 HydrophobicContact SD-CD1 4.24Å; M114-Q118 WeakPolarHBondContact O-CG 3.11Å; M114-Q118 PolarHBondContact O-N 3.16Å; M114-V128 HydrophobicContact SD-CG1 4.18Å; M114-V128 HydrophobicContact SD-CG2 4.48Å; M114-Y155 HydrophobicContact CB-CE1 4.09Å; M114-Y155 HydrophobicContact CB-CE2 4.47Å; M114-Y155 HydrophobicContact CE-CD1 3.84Å; M114-Y155 HydrophobicContact CE-CE1 4.38Å; M114-Y155 HydrophobicContact CE-CG 3.94Å; M114-Y155 HydrophobicContact CG-CD2 4.26Å; M114-Y155 HydrophobicContact CG-CE1 4.29Å; M114-Y155 HydrophobicContact CG-CE2 4.03Å; M114-I157 HydrophobicContact CE-CD1 4.43Å; M114-I157 HydrophobicContact SD-CD1 4.33Å
115S91Very high89.9Confident54 Ų5461.7 Ų61.738%0.37830%0.303SS..Hα-helixtrans-61.1-41.3176.2-177.40000112R111 N112 W113 L117 Q118 I119R111-S115 WeakPolarHBondContact O-CB 3.48Å; R111-S115 PolarHBondContact O-N 2.58Å; N112-S115 PolarHBondContact O-N 2.73Å; W113-S115 VanDerWaalsContact C-N 3.33Å; W113-S115 PolarHBondContact O-N 3.14Å; S115-L117 VanDerWaalsContact C-N 3.35Å; S115-L117 PolarHBondContact O-N 3.43Å; S115-Q118 PolarHBondContact O-N 2.94Å; S115-I119 WeakPolarHBondContact O-CD1 3.4Å; S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.39Å; S115-I119 PolarHBondContact O-N 2.96Å
116Q87.9Confident89.6Confident49 Ų4957.5 Ų57.523%0.22929%0.285CS..Hα-helixtrans-66.3-37.6176.8-71.9179.94.600112.4R82 F89 N112 W113 M114 I119 H120R82-Q116 VanDerWaalsContact NE-NE2 3.16Å; R82-Q116 VanDerWaalsContact NE-OE1 3.16Å; F89-Q116 HydrophobicContact CE2-CB 4.05Å; N112-Q116 WeakPolarHBondContact O-CG 3.46Å; N112-Q116 PolarHBondContact O-N 2.86Å; N112-Q116 VanDerWaalsContact O-N 3.07Å; W113-Q116 PolarHBondContact O-N 3.45Å; M114-Q116 VanDerWaalsContact C-N 3.32Å; M114-Q116 PolarHBondContact O-N 2.83Å; Q116-I119 PolarHBondContact O-N 2.85Å; Q116-H120 WeakPolarHBondContact O-CB 3.42Å; Q116-H120 PolarHBondContact O-CD2 2.9Å; Q116-H120 VanDerWaalsContact O-CD2 3.27Å; Q116-H120 PolarHBondContact O-N 3.15Å
117L89.8Confident89.5Confident0 Ų058.6 Ų58.60%029%0.291CS..Hα-helixtrans-61.1-46.9173.8-75.3177.3000111.5L15 F89 F95 W113 M114 S115 I119 H120 A121 P126 V128L15-L117 HydrophobicContact CD1-CD1 4.09Å; L15-L117 HydrophobicContact CD1-CD2 3.47Å; L15-L117 VanDerWaalsContact CD1-CD2 3.47Å; L15-L117 HydrophobicContact CD1-CG 3.98Å; F89-L117 HydrophobicContact CD2-CD2 4Å; F89-L117 HydrophobicContact CE2-CD2 4.07Å; F89-L117 HydrophobicContact CG-CD2 4.46Å; F95-L117 HydrophobicContact CB-CD1 4.14Å; F95-L117 HydrophobicContact CB-CD2 4.49Å; F95-L117 HydrophobicContact CD1-CD2 3.39Å; F95-L117 HydrophobicContact CD2-CD2 4Å; F95-L117 HydrophobicContact CE1-CD2 3.42Å; F95-L117 VanDerWaalsContact CE1-CD2 3.42Å; F95-L117 HydrophobicContact CE2-CD2 4.05Å; F95-L117 HydrophobicContact CG-CD1 4.13Å; F95-L117 HydrophobicContact CG-CD2 3.68Å; F95-L117 HydrophobicContact CZ-CD2 3.75Å; W113-L117 WeakPolarHBondContact O-CG 3.31Å; W113-L117 PolarHBondContact O-N 3.42Å; M114-L117 WeakPolarHBondContact O-CB 3.46Å; M114-L117 PolarHBondContact O-N 3.33Å; M114-L117 HydrophobicContact SD-CD1 4.24Å; S115-L117 VanDerWaalsContact C-N 3.35Å; S115-L117 PolarHBondContact O-N 3.43Å; L117-I119 PolarHBondContact O-N 3.34Å; L117-H120 PolarHBondContact O-N 3.35Å; L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 3.44Å; L117-P126 HydrophobicContact CB-CG 4.4Å; L117-V128 HydrophobicContact CD1-CG2 4.07Å
118Q88.1Confident89.5Confident97 Ų9758 Ų5845%0.45329%0.288SS..Hα-helixtrans-61.6-31.4179.3-71.6173.1-27.200113.4M114 S115M114-Q118 WeakPolarHBondContact O-CG 3.11Å; M114-Q118 PolarHBondContact O-N 3.16Å; S115-Q118 PolarHBondContact O-N 2.94Å
119I86.7Confident89.5Confident114 Ų11454.4 Ų54.459%0.58527%0.27SS*.Hα-helixtrans-83.3-36-179.1-63.4165000112S115 Q116 L117S115-I119 WeakPolarHBondContact O-CD1 3.4Å; S115-I119 VanDerWaalsContact O-CG1 3.3Å; S115-I119 WeakPolarHBondContact O-CG1 3.39Å; S115-I119 PolarHBondContact O-N 2.96Å; Q116-I119 PolarHBondContact O-N 2.85Å; L117-I119 PolarHBondContact O-N 3.34Å
120H85.5Confident89.7Confident63 Ų6352.7 Ų52.729%0.29226%0.261SS..Hα-helixtrans-118-13.2-165-58.9-63.4000115.1T86 F89 R90 Q116 L117T86-H120 HydrophobicContact CG2-CB 4.08Å; T86-H120 VanDerWaalsContact CG2-CD2 3.41Å; T86-H120 WeakPolarHBondContact CG2-CD2 3.27Å; F89-H120 HydrophobicContact CB-CB 4.24Å; F89-H120 HydrophobicContact CD2-CB 3.83Å; F89-H120 HydrophobicContact CG-CB 4.46Å; R90-H120 VanDerWaalsContact CG-O 3.29Å; R90-H120 WeakPolarHBondContact CG-O 3.36Å; Q116-H120 WeakPolarHBondContact O-CB 3.42Å; Q116-H120 PolarHBondContact O-CD2 2.9Å; Q116-H120 VanDerWaalsContact O-CD2 3.27Å; Q116-H120 PolarHBondContact O-N 3.15Å; L117-H120 PolarHBondContact O-N 3.35Å
121A83.8Confident89.8Confident15 Ų1552.6 Ų52.612%0.12426%0.26CS..SBendtrans-66.4165.1173.700000111.2F95 L117 C123 P126F95-A121 HydrophobicContact CE2-CB 4.13Å; F95-A121 HydrophobicContact CZ-CB 4.07Å; L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 3.44Å; A121-C123 PolarHBondContact O-N 3.27Å; A121-P126 HydrophobicContact CB-CB 4.02Å; A121-P126 HydrophobicContact CB-CG 3.98Å
122Y80.7Confident90Very high108 Ų10846.3 Ų46.342%0.42424%0.237SC..SBendtrans-68.9-16.4-176.680.8-89.1000113.6A92 R184A92-Y122 WeakPolarHBondContact O-CD1 3.47Å; Y122-R184 PolarHBondContact OH-NE 3.02Å; Y122-R184 PolarHBondContact OH-NH1 3.27Å; Y122-R184 PolarHBondContact OH-NH2 3.39Å
123C80.3Confident90.2Very high37 Ų3742.5 Ų42.525%0.2522%0.216CC..SBendtrans-142.5159.1175.566.20000111.4A121 N125 P126A121-C123 PolarHBondContact O-N 3.27Å; C123-N125 PolarHBondContact O-N 2.97Å; C123-N125 PolarHBondContact SG-O 2.58Å; C123-N125 VanDerWaalsContact SG-O 3.37Å; C123-P126 WeakPolarHBondContact O-CD 3.29Å
124E74.9Confident90.5Very high161 Ų16144.9 Ų44.975%0.75223%0.227SC*.SBendtrans-59.9-32.6-180-64.8-178.5170.300113.2P126E124-P126 WeakPolarHBondContact O-CD 3.36Å
125N83.4Confident90.8Very high131 Ų13145.2 Ų45.270%0.70123%0.23SC*.SBendtrans-122.276.3-178.8-65.1-33.8000110.8C123C123-N125 PolarHBondContact O-N 2.97Å; C123-N125 PolarHBondContact SG-O 2.58Å; C123-N125 VanDerWaalsContact SG-O 3.37Å
126P90.5Very high91.1Very high17 Ų1746.1 Ų46.111%0.1123%0.23CC..  trans-68.1155.5176.828.8-32.7000111.5F95 L117 A121 C123 E124 V128F95-P126 HydrophobicContact CD2-CB 3.76Å; F95-P126 HydrophobicContact CD2-CG 4.38Å; F95-P126 HydrophobicContact CE2-CB 3.49Å; F95-P126 VanDerWaalsContact CE2-CB 3.49Å; F95-P126 HydrophobicContact CE2-CG 4.26Å; L117-P126 HydrophobicContact CB-CG 4.4Å; A121-P126 HydrophobicContact CB-CB 4.02Å; A121-P126 HydrophobicContact CB-CG 3.98Å; C123-P126 WeakPolarHBondContact O-CD 3.29Å; E124-P126 WeakPolarHBondContact O-CD 3.36Å; P126-V128 HydrophobicContact CB-CG2 4.47Å; P126-V128 HydrophobicContact CG-CG2 4.15Å; P126-V128 PolarHBondContact O-N 3.48Å
127D96.1Very high91.5Very high25 Ų2546.6 Ų46.613%0.13423%0.234CC..EExtended strand (participates in β ladder)trans-77.3120.5174.2-69.3-28.5000108.3G94 F95 L177 L180 I181 R184G94-D127 WeakPolarHBondContact CA-O 3.45Å; F95-D127 PolarHBondContact N-O 3.36Å; D127-L177 HydrophobicContact CB-CD1 3.99Å; D127-L180 HydrophobicContact CB-CB 4.31Å; D127-I181 HydrophobicContact CB-CD1 4.3Å; D127-I181 HydrophobicContact CB-CG1 3.87Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.34Å; D127-R184 IonicContact OD1-NH1 3.91Å; D127-R184 PolarHBondContact OD1-NH1 2.94Å; D127-R184 IonicContact OD2-CZ 2.76Å; D127-R184 IonicContact OD2-NE 2.68Å; D127-R184 PolarHBondContact OD2-NE 3.42Å; D127-R184 IonicContact OD2-NH1 3.08Å; D127-R184 PolarHBondContact OD2-NH1 2.63Å; D127-R184 IonicContact OD2-NH2 2.67Å; D127-R184 PolarHBondContact OD2-NH2 3.12Å
128V97.7Very high91.8Very high3 Ų350.2 Ų50.22%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-131139-176.3-173.30000109.1F95 L97 M114 L117 P126 I157 P158F95-V128 HydrophobicContact CB-CG1 4.35Å; F95-V128 HydrophobicContact CB-CG2 4.19Å; F95-V128 HydrophobicContact CD2-CG2 4.29Å; F95-V128 WeakPolarHBondContact O-CA 3.43Å; L97-V128 HydrophobicContact CB-CG1 3.86Å; M114-V128 HydrophobicContact SD-CG1 4.18Å; M114-V128 HydrophobicContact SD-CG2 4.48Å; L117-V128 HydrophobicContact CD1-CG2 4.07Å; P126-V128 HydrophobicContact CB-CG2 4.47Å; P126-V128 HydrophobicContact CG-CG2 4.15Å; P126-V128 PolarHBondContact O-N 3.48Å; V128-I157 HydrophobicContact CB-CG2 4.15Å; V128-I157 HydrophobicContact CG1-CD1 4.26Å; V128-P158 WeakPolarHBondContact O-CD 3.38Å
129V98.7Very high92.3Very high0 Ų053.3 Ų53.30%028%0.279CS..EExtended strand (participates in β ladder)trans-116.5127.7165.5173.10000108.5F95 L96 L97 P158 F160 A173 V176 L177 L180F95-V129 PolarHBondContact O-N 3.5Å; L96-V129 HydrophobicContact CD2-CB 4.46Å; L97-V129 PolarHBondContact N-O 3.5Å; V129-P158 HydrophobicContact CG2-CB 4.28Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; V129-F160 HydrophobicContact CG1-CD2 3.6Å; V129-F160 HydrophobicContact CG1-CE2 3.96Å; V129-A173 HydrophobicContact CG1-CB 4.17Å; V129-V176 HydrophobicContact CG2-CG1 4.23Å; V129-L177 HydrophobicContact CG2-CB 3.76Å; V129-L177 HydrophobicContact CG2-CD1 4.18Å; V129-L180 HydrophobicContact CG2-CD1 4.46Å
130L98.8Very high92.8Very high0 Ų053.7 Ų53.70%028%0.279CS..EExtended strand (participates in β ladder)trans-85.8128.3175.6-174.368.1000109.9L97 F99 V110 A152 I157 P158 Y159 F160L97-L130 HydrophobicContact CB-CD1 4.45Å; L97-L130 HydrophobicContact CD2-CD1 4.37Å; L97-L130 HydrophobicContact CG-CD1 4.15Å; L97-L130 WeakPolarHBondContact O-CA 3.22Å; F99-L130 HydrophobicContact CD1-CD1 3.92Å; F99-L130 HydrophobicContact CD1-CG 4.28Å; F99-L130 HydrophobicContact CE1-CD1 4.12Å; F99-L130 HydrophobicContact CE1-CD2 4.13Å; F99-L130 HydrophobicContact CE1-CG 3.97Å; V110-L130 HydrophobicContact CG1-CD1 3.74Å; V110-L130 HydrophobicContact CG2-CD1 4.19Å; L130-A152 HydrophobicContact CD2-CB 4Å; L130-I157 HydrophobicContact CB-CD1 3.89Å; L130-I157 HydrophobicContact CB-CG1 4.35Å; L130-P158 PolarHBondContact N-O 2.92Å; L130-Y159 HydrophobicContact CB-CD2 4.17Å; L130-Y159 HydrophobicContact CD2-CD2 3.9Å; L130-Y159 HydrophobicContact CD2-CE2 4.48Å; L130-Y159 HydrophobicContact CG-CD2 3.93Å; L130-Y159 WeakPolarHBondContact O-CA 3.42Å; L130-Y159 WeakPolarHBondContact O-CD2 3.31Å; L130-F160 PolarHBondContact O-N 3.13Å
131C98.8Very high93.4Very high0 Ų055 Ų550%028%0.281CS..EExtended strand (participates in β ladder)trans-122.6112.5-178.4-69.60000110.4L97 L98 F99 N133 F160 T162L97-C131 PolarHBondContact O-N 2.94Å; L98-C131 WeakPolarHBondContact CA-O 3.32Å; L98-C131 HydrophobicContact CD1-CB 4.27Å; L98-C131 HydrophobicContact CG-CB 3.84Å; F99-C131 WeakPolarHBondContact CD1-O 3.35Å; F99-C131 PolarHBondContact N-O 3.35Å; C131-N133 PolarHBondContact O-N 3.26Å; C131-F160 CarbonylContact C-O 3.3Å; C131-F160 WeakPolarHBondContact CA-O 3.42Å; C131-T162 HydrophobicContact CB-CG2 4.35Å
132G98.8Very high94.1Very high0 Ų056.4 Ų56.40%029%0.293CS..EExtended strand (participates in β ladder)trans-8696.2167.400000109.2F99 L101 F160 E161 T162F99-G132 VanDerWaalsContact CE1-CA 3.47Å; F99-G132 VanDerWaalsContact CZ-CA 3.47Å; L101-G132 VanDerWaalsContact CD1-O 3.22Å; L101-G132 WeakPolarHBondContact CD1-O 3.49Å; G132-F160 PolarHBondContact N-O 2.86Å; G132-E161 CarbonylContact O-C 3.6Å; G132-E161 VanDerWaalsContact O-CA 3.31Å; G132-E161 WeakPolarHBondContact O-CA 3.47Å; G132-T162 PolarHBondContact O-N 2.81Å
133N98.7Very high94.9Very high3 Ų351.3 Ų51.32%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-83.3167.5-173.7-166.929000112.1V20 L98 F99 L101 C131 T162 A164V20-N133 PolarHBondContact O-ND2 3.37Å; L98-N133 HydrophobicContact CD2-CB 4.47Å; F99-N133 PolarHBondContact O-N 3.11Å; L101-N133 WeakPolarHBondContact CB-O 3.32Å; L101-N133 WeakPolarHBondContact CG-O 3.39Å; L101-N133 PolarHBondContact N-O 2.97Å; C131-N133 PolarHBondContact O-N 3.26Å; N133-T162 CarbonylContact C-O 3.5Å; N133-T162 VanDerWaalsContact C-O 3.3Å; N133-T162 VanDerWaalsContact CA-O 3.25Å; N133-T162 WeakPolarHBondContact CA-O 3.4Å; N133-T162 PolarHBondContact OD1-O 2.94Å; N133-T162 PolarHBondContact OD1-OG1 3.49Å; N133-A164 PolarHBondContact OD1-N 3.37Å
134K98.3Very high95.8Very high54 Ų5452.8 Ų52.824%0.23528%0.281CS..  trans65.535.5-178.3-45.4-169.9-165.1166.40113.7G19 D100 D136 L137 T162G19-K134 WeakPolarHBondContact O-CE 3.43Å; G19-K134 PolarHBondContact O-NZ 3.41Å; D100-K134 WeakPolarHBondContact OD1-CD 3.43Å; D100-K134 VanDerWaalsContact OD2-CE 3.25Å; D100-K134 WeakPolarHBondContact OD2-CE 3.36Å; D100-K134 IonicContact OD2-NZ 3.55Å; D100-K134 PolarHBondContact OD2-NZ 3.03Å; K134-D136 WeakPolarHBondContact CA-OD1 3.25Å; K134-D136 PolarHBondContact O-N 2.97Å; K134-D136 VanDerWaalsContact O-N 3.15Å; K134-L137 HydrophobicContact CB-CD1 4.21Å; K134-L137 HydrophobicContact CB-CG 4.46Å; K134-L137 HydrophobicContact CD-CD1 4.25Å; K134-L137 PolarHBondContact O-N 2.92Å; K134-T162 PolarHBondContact N-O 2.97Å
135C98.2Very high96.8Very high19 Ų1949 Ų4913%0.12826%0.263CS..THydrogen-bonded Turntrans-64.1-16.5177.669.40000113.7L101 L137 E161 T162L101-C135 HydrophobicContact CD1-CB 3.51Å; C135-L137 PolarHBondContact O-N 2.88Å; C135-E161 HydrophobicContact CB-CB 4.04Å; C135-T162 PolarHBondContact N-O 2.84Å; C135-T162 PolarHBondContact SG-O 2.93Å
136D97.9Very high97.5Very high72 Ų7247.4 Ų47.439%0.38526%0.255SS..THydrogen-bonded Turntrans-65.9-19.7171.755.2-74000113.8K134 S138 S163K134-D136 WeakPolarHBondContact CA-OD1 3.25Å; K134-D136 PolarHBondContact O-N 2.97Å; K134-D136 VanDerWaalsContact O-N 3.15Å; D136-S138 VanDerWaalsContact C-N 3.33Å; D136-S138 PolarHBondContact O-N 2.84Å; D136-S163 WeakPolarHBondContact OD1-CB 3.4Å; D136-S163 PolarHBondContact OD1-OG 2.79Å
137L96.9Very high97.9Very high59 Ų5950.3 Ų50.331%0.30927%0.267SS..  trans-94.253.6178.7-57.7-178.7000111.7T102 K134 C135 D139 Q140 R141T102-L137 HydrophobicContact CG2-CB 3.68Å; T102-L137 HydrophobicContact CG2-CD1 4.04Å; T102-L137 HydrophobicContact CG2-CG 4.5Å; K134-L137 HydrophobicContact CB-CD1 4.21Å; K134-L137 HydrophobicContact CB-CG 4.46Å; K134-L137 HydrophobicContact CD-CD1 4.25Å; K134-L137 PolarHBondContact O-N 2.92Å; C135-L137 PolarHBondContact O-N 2.88Å; L137-D139 PolarHBondContact O-N 3.36Å; L137-D139 VanDerWaalsContact O-N 3.16Å; L137-Q140 HydrophobicContact CB-CB 4.43Å; L137-Q140 PolarHBondContact O-N 3.4Å; L137-R141 PolarHBondContact O-N 2.81Å
138S95.7Very high98Very high77 Ų7749.1 Ų49.154%0.53826%0.26SS..G310 helixtrans-54.6-36.9-174.256.30000113.8D136 Q140 R141D136-S138 VanDerWaalsContact C-N 3.33Å; D136-S138 PolarHBondContact O-N 2.84Å; S138-Q140 PolarHBondContact O-N 2.8Å; S138-R141 VanDerWaalsContact O-CB 3.26Å; S138-R141 WeakPolarHBondContact O-CB 2.86Å; S138-R141 PolarHBondContact O-N 2.95Å
139D97.1Very high98Very high162 Ų16253.4 Ų53.487%0.86628%0.276SS*.G310 helixtrans-71.8-17.3-177.6-59.4-21.5000113L137L137-D139 PolarHBondContact O-N 3.36Å; L137-D139 VanDerWaalsContact O-N 3.16Å
140Q97.6Very high98Very high122 Ų12259.4 Ų59.457%0.5730%0.304SS*.G310 helixtrans-105.68.5178.3-61.4177.743.700111.9T102 L137 S138 A142T102-Q140 VanDerWaalsContact CA-O 3.29Å; T102-Q140 WeakPolarHBondContact CA-O 3.27Å; T102-Q140 VanDerWaalsContact CB-O 3.26Å; T102-Q140 WeakPolarHBondContact CB-O 3.41Å; T102-Q140 HydrophobicContact CG2-CB 3.78Å; L137-Q140 HydrophobicContact CB-CB 4.43Å; L137-Q140 PolarHBondContact O-N 3.4Å; S138-Q140 PolarHBondContact O-N 2.8Å; Q140-A142 PolarHBondContact O-N 2.86Å
141R98.3Very high98Very high90 Ų9059.9 Ų59.934%0.3431%0.306SS..  trans-60121.8-177.2179.2-177.1-84.3-112.611.7110.6L137 S138 V143 Q145 E161L137-R141 PolarHBondContact O-N 2.81Å; S138-R141 VanDerWaalsContact O-CB 3.26Å; S138-R141 WeakPolarHBondContact O-CB 2.86Å; S138-R141 PolarHBondContact O-N 2.95Å; R141-V143 VanDerWaalsContact CD-O 3.28Å; R141-V143 WeakPolarHBondContact CD-O 3.49Å; R141-V143 WeakPolarHBondContact CG-O 3.5Å; R141-V143 PolarHBondContact NH1-O 3.21Å; R141-Q145 VanDerWaalsContact NH1-N 3.12Å; R141-E161 IonicContact CZ-OE1 3.69Å; R141-E161 VanDerWaalsContact CZ-OE1 3.24Å; R141-E161 IonicContact CZ-OE2 2.72Å; R141-E161 IonicContact NH1-OE1 2.66Å; R141-E161 PolarHBondContact NH1-OE1 3.31Å; R141-E161 IonicContact NH2-OE1 3.83Å; R141-E161 PolarHBondContact NH2-OE1 3.04Å; R141-E161 IonicContact NH2-OE2 3.03Å; R141-E161 PolarHBondContact NH2-OE2 3.44Å
142A98.3Very high97.9Very high45 Ų4560 Ų6037%0.37231%0.308SS..  trans-104.3-19.6173.700000112.4L101 E104 Q140L101-A142 PolarHBondContact O-N 2.73Å; E104-A142 HydrophobicContact CB-CB 4.3Å; Q140-A142 PolarHBondContact O-N 2.86Å
143V98.4Very high97.9Very high1 Ų166.3 Ų66.31%0.00634%0.337CS..SBendtrans-118.3122.3-178-174.80000110.4F99 L101 E104 F107 R141 A148F99-V143 HydrophobicContact CE2-CB 4.15Å; F99-V143 HydrophobicContact CE2-CG1 3.89Å; F99-V143 HydrophobicContact CE2-CG2 4.32Å; F99-V143 HydrophobicContact CZ-CG1 4.42Å; L101-V143 HydrophobicContact CD2-CB 4.35Å; L101-V143 PolarHBondContact O-N 3.38Å; L101-V143 VanDerWaalsContact O-N 3.1Å; E104-V143 HydrophobicContact CB-CG2 4.48Å; F107-V143 HydrophobicContact CB-CG1 4.33Å; F107-V143 HydrophobicContact CB-CG2 3.72Å; F107-V143 HydrophobicContact CD1-CG1 3.93Å; F107-V143 HydrophobicContact CD1-CG2 4.36Å; F107-V143 HydrophobicContact CD2-CG1 4.03Å; F107-V143 HydrophobicContact CE1-CG1 4.22Å; F107-V143 HydrophobicContact CE2-CG1 4.32Å; F107-V143 HydrophobicContact CG-CG1 3.82Å; F107-V143 HydrophobicContact CG-CG2 4.1Å; F107-V143 HydrophobicContact CZ-CG1 4.4Å; R141-V143 VanDerWaalsContact CD-O 3.28Å; R141-V143 WeakPolarHBondContact CD-O 3.49Å; R141-V143 WeakPolarHBondContact CG-O 3.5Å; R141-V143 PolarHBondContact NH1-O 3.21Å; V143-A148 HydrophobicContact CG1-CB 4.34Å
144T98.1Very high97.8Very high67 Ų6773.7 Ų73.741%0.41137%0.369SS..  trans-76.3151.7178.368.70000111.4N146 Q147 A148T144-N146 PolarHBondContact O-N 3.1Å; T144-Q147 PolarHBondContact O-N 3.19Å; T144-Q147 VanDerWaalsContact OG1-CD 3.31Å; T144-Q147 VanDerWaalsContact OG1-CG 3.24Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.39Å; T144-Q147 PolarHBondContact OG1-N 3.48Å; T144-Q147 PolarHBondContact OG1-OE1 3Å; T144-A148 PolarHBondContact O-N 2.74Å
145Q97Very high97.7Very high82 Ų8274.3 Ų74.338%0.38337%0.37SS..Hα-helixtrans-59.3-36.7178.2-168.2-176.246.300111.8R141 A148 R149 Y159 E161R141-Q145 VanDerWaalsContact NH1-N 3.12Å; Q145-A148 PolarHBondContact O-N 2.81Å; Q145-R149 VanDerWaalsContact NE2-NH2 3.2Å; Q145-R149 VanDerWaalsContact O-CB 3.26Å; Q145-R149 WeakPolarHBondContact O-CB 3.34Å; Q145-R149 PolarHBondContact O-N 3.41Å; Q145-Y159 HydrophobicContact CG-CE1 4.24Å; Q145-E161 WeakPolarHBondContact CB-OE1 3.34Å; Q145-E161 WeakPolarHBondContact CG-OE1 3.14Å
146N98.1Very high97.6Very high98 Ų9876.7 Ų76.752%0.52440%0.398SS..Hα-helixtrans-66.1-46.6-179.7-70.8-10.7000111.7T144 A148 R149 E150T144-N146 PolarHBondContact O-N 3.1Å; N146-A148 VanDerWaalsContact C-N 3.29Å; N146-A148 PolarHBondContact O-N 2.91Å; N146-R149 PolarHBondContact O-N 2.83Å; N146-R149 PolarHBondContact OD1-NH1 2.78Å; N146-E150 WeakPolarHBondContact O-CB 3.5Å; N146-E150 WeakPolarHBondContact O-CG 3.45Å; N146-E150 PolarHBondContact O-N 2.82Å
147Q97.8Very high97.6Very high78 Ų7874.4 Ų74.436%0.36439%0.386SS..Hα-helixtrans-57.7-44.2176.8-73166.6-57.400111.9F107 T144 L151F107-Q147 HydrophobicContact CE1-CB 4.32Å; F107-Q147 HydrophobicContact CZ-CB 4.36Å; T144-Q147 PolarHBondContact O-N 3.19Å; T144-Q147 VanDerWaalsContact OG1-CD 3.31Å; T144-Q147 VanDerWaalsContact OG1-CG 3.24Å; T144-Q147 WeakPolarHBondContact OG1-CG 3.39Å; T144-Q147 PolarHBondContact OG1-N 3.48Å; T144-Q147 PolarHBondContact OG1-OE1 3Å; Q147-L151 PolarHBondContact O-N 2.99Å; Q147-L151 VanDerWaalsContact O-N 3.14Å
148A98.3Very high97.7Very high0 Ų073.5 Ų73.50%038%0.383CS..Hα-helixtrans-69.2-39.6179.800000112.5F99 F107 V143 T144 Q145 N146 L151 A152 Y159F99-A148 HydrophobicContact CE1-CB 4.38Å; F99-A148 HydrophobicContact CZ-CB 3.71Å; F107-A148 HydrophobicContact CE2-CB 3.97Å; F107-A148 HydrophobicContact CZ-CB 4.46Å; V143-A148 HydrophobicContact CG1-CB 4.34Å; T144-A148 PolarHBondContact O-N 2.74Å; Q145-A148 PolarHBondContact O-N 2.81Å; N146-A148 VanDerWaalsContact C-N 3.29Å; N146-A148 PolarHBondContact O-N 2.91Å; A148-L151 PolarHBondContact O-N 2.99Å; A148-A152 PolarHBondContact O-N 2.78Å; A148-Y159 HydrophobicContact CB-CD1 4.46Å; A148-Y159 HydrophobicContact CB-CE1 3.71Å; A148-Y159 HydrophobicContact CB-CE2 3.82Å; A148-Y159 VanDerWaalsContact CB-OH 3.23Å; A148-Y159 WeakPolarHBondContact CB-OH 3.29Å
149R98.4Very high97.9Very high92 Ų9271.5 Ų71.535%0.34736%0.364SS..Hα-helixtrans-64-46175.3-173.7179.7-66.8125.5-1.4111.8Q145 N146 L151 A152 E153 Y159Q145-R149 VanDerWaalsContact NE2-NH2 3.2Å; Q145-R149 VanDerWaalsContact O-CB 3.26Å; Q145-R149 WeakPolarHBondContact O-CB 3.34Å; Q145-R149 PolarHBondContact O-N 3.41Å; N146-R149 PolarHBondContact O-N 2.83Å; N146-R149 PolarHBondContact OD1-NH1 2.78Å; R149-L151 VanDerWaalsContact C-N 3.27Å; R149-L151 PolarHBondContact O-N 3.15Å; R149-A152 WeakPolarHBondContact O-CB 3.47Å; R149-A152 PolarHBondContact O-N 2.83Å; R149-A152 VanDerWaalsContact O-N 3.12Å; R149-E153 HydrophobicContact CG-CG 4.42Å; R149-E153 WeakPolarHBondContact CG-OE1 3.4Å; R149-E153 WeakPolarHBondContact O-CG 3.33Å; R149-E153 PolarHBondContact O-N 2.79Å; R149-Y159 HydrophobicContact CB-CD1 4.31Å
150E98.5Very high97.9Very high127 Ų12765.8 Ų65.859%0.59333%0.332SS*.Hα-helixtrans-58.1-40.5175.7-75.5173-16800111.8N146 K154N146-E150 WeakPolarHBondContact O-CB 3.5Å; N146-E150 WeakPolarHBondContact O-CG 3.45Å; N146-E150 PolarHBondContact O-N 2.82Å; E150-K154 WeakPolarHBondContact O-CB 3.26Å; E150-K154 PolarHBondContact O-N 3.29Å
151L98.1Very high98Very high9 Ų961.2 Ų61.25%0.04731%0.31CS..Hα-helixtrans-65.2-43.1175.7-172.367.8000111.7F107 V110 R111 Q147 A148 R149 K154 Y155F107-L151 HydrophobicContact CD2-CD2 4.21Å; F107-L151 HydrophobicContact CE2-CB 4.16Å; F107-L151 HydrophobicContact CE2-CD2 3.42Å; F107-L151 VanDerWaalsContact CE2-CD2 3.42Å; F107-L151 HydrophobicContact CE2-CG 4.42Å; F107-L151 HydrophobicContact CZ-CB 3.93Å; F107-L151 HydrophobicContact CZ-CD2 3.64Å; F107-L151 HydrophobicContact CZ-CG 4.38Å; V110-L151 HydrophobicContact CB-CD2 4.1Å; V110-L151 HydrophobicContact CG1-CD2 3.8Å; R111-L151 HydrophobicContact CG-CD1 4.36Å; Q147-L151 PolarHBondContact O-N 2.99Å; Q147-L151 VanDerWaalsContact O-N 3.14Å; A148-L151 PolarHBondContact O-N 2.99Å; R149-L151 VanDerWaalsContact C-N 3.27Å; R149-L151 PolarHBondContact O-N 3.15Å; L151-K154 WeakPolarHBondContact O-CB 3.48Å; L151-K154 PolarHBondContact O-N 3.02Å; L151-Y155 HydrophobicContact CD1-CD2 4.2Å; L151-Y155 HydrophobicContact CD1-CE2 3.61Å; L151-Y155 HydrophobicContact CG-CD2 4.12Å; L151-Y155 HydrophobicContact CG-CE2 3.88Å; L151-Y155 WeakPolarHBondContact O-CD2 3.35Å; L151-Y155 PolarHBondContact O-N 3.15Å
152A98.2Very high98Very high3 Ų356.9 Ų56.93%0.02529%0.294CS..Hα-helixtrans-64.5-44.1178.800000112.1L130 A148 R149 K154 Y155 G156 I157 Y159L130-A152 HydrophobicContact CD2-CB 4Å; A148-A152 PolarHBondContact O-N 2.78Å; R149-A152 WeakPolarHBondContact O-CB 3.47Å; R149-A152 PolarHBondContact O-N 2.83Å; R149-A152 VanDerWaalsContact O-N 3.12Å; A152-K154 VanDerWaalsContact C-N 3.32Å; A152-K154 PolarHBondContact O-N 2.87Å; A152-Y155 CarbonylContact O-C 3.52Å; A152-Y155 PolarHBondContact O-N 2.83Å; A152-Y155 VanDerWaalsContact O-N 3.14Å; A152-G156 PolarHBondContact O-N 2.82Å; A152-I157 HydrophobicContact CB-CG1 4.2Å; A152-I157 PolarHBondContact O-N 3.26Å; A152-Y159 HydrophobicContact CB-CG 4.37Å
153E98Very high98Very high133 Ų13354.8 Ų54.862%0.62128%0.276SS*.Hα-helixtrans-60-41.5174.7-74.1173.8-173.100111.6R149 Y155 G156R149-E153 HydrophobicContact CG-CG 4.42Å; R149-E153 WeakPolarHBondContact CG-OE1 3.4Å; R149-E153 WeakPolarHBondContact O-CG 3.33Å; R149-E153 PolarHBondContact O-N 2.79Å; E153-Y155 PolarHBondContact O-N 2.88Å; E153-G156 PolarHBondContact O-N 3.05Å
154K97Very high98Very high158 Ų15854.9 Ų54.969%0.68728%0.277SS*.Hα-helixtrans-59.4-34.9175.9-178.9176.2179.51760113E150 L151 A152E150-K154 WeakPolarHBondContact O-CB 3.26Å; E150-K154 PolarHBondContact O-N 3.29Å; L151-K154 WeakPolarHBondContact O-CB 3.48Å; L151-K154 PolarHBondContact O-N 3.02Å; A152-K154 VanDerWaalsContact C-N 3.32Å; A152-K154 PolarHBondContact O-N 2.87Å
155Y95.9Very high97.9Very high66 Ų6653.6 Ų53.626%0.25927%0.274SS..Hα-helixtrans-89.7-8.3175.8-70.8-63.6000113.3M114 L151 A152 E153 I157M114-Y155 HydrophobicContact CB-CE1 4.09Å; M114-Y155 HydrophobicContact CB-CE2 4.47Å; M114-Y155 HydrophobicContact CE-CD1 3.84Å; M114-Y155 HydrophobicContact CE-CE1 4.38Å; M114-Y155 HydrophobicContact CE-CG 3.94Å; M114-Y155 HydrophobicContact CG-CD2 4.26Å; M114-Y155 HydrophobicContact CG-CE1 4.29Å; M114-Y155 HydrophobicContact CG-CE2 4.03Å; L151-Y155 HydrophobicContact CD1-CD2 4.2Å; L151-Y155 HydrophobicContact CD1-CE2 3.61Å; L151-Y155 HydrophobicContact CG-CD2 4.12Å; L151-Y155 HydrophobicContact CG-CE2 3.88Å; L151-Y155 WeakPolarHBondContact O-CD2 3.35Å; L151-Y155 PolarHBondContact O-N 3.15Å; A152-Y155 CarbonylContact O-C 3.52Å; A152-Y155 PolarHBondContact O-N 2.83Å; A152-Y155 VanDerWaalsContact O-N 3.14Å; E153-Y155 PolarHBondContact O-N 2.88Å; Y155-I157 VanDerWaalsContact C-N 3.33Å
156G96.8Very high97.9Very high69 Ų6953.1 Ų53.171%0.71128%0.279SS*.THydrogen-bonded Turntrans66.632-175.400000113.6A152 E153A152-G156 PolarHBondContact O-N 2.82Å; E153-G156 PolarHBondContact O-N 3.05Å
157I97.9Very high97.9Very high24 Ų2449.3 Ų49.312%0.12326%0.264CS..  trans-114.7148.7-176.263.9-179.1000111.6M114 V128 L130 A152 Y155M114-I157 HydrophobicContact CE-CD1 4.43Å; M114-I157 HydrophobicContact SD-CD1 4.33Å; V128-I157 HydrophobicContact CB-CG2 4.15Å; V128-I157 HydrophobicContact CG1-CD1 4.26Å; L130-I157 HydrophobicContact CB-CD1 3.89Å; L130-I157 HydrophobicContact CB-CG1 4.35Å; A152-I157 HydrophobicContact CB-CG1 4.2Å; A152-I157 PolarHBondContact O-N 3.26Å; Y155-I157 VanDerWaalsContact C-N 3.33Å
158P98.6Very high97.9Very high40 Ų4050.2 Ų50.226%0.2627%0.268SS..  trans-63.2149173.1-20.933.3000112.2V128 V129 L130 F160 V176 L180V128-P158 WeakPolarHBondContact O-CD 3.38Å; V129-P158 HydrophobicContact CG2-CB 4.28Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; L130-P158 PolarHBondContact N-O 2.92Å; P158-F160 HydrophobicContact CB-CE2 4Å; P158-V176 HydrophobicContact CB-CG1 4.09Å; P158-V176 HydrophobicContact CG-CG1 3.93Å; P158-L180 HydrophobicContact CG-CD1 4.04Å
159Y98.8Very high97.9Very high35 Ų3552.5 Ų52.514%0.13728%0.28CS..EExtended strand (participates in β ladder)trans-129.1132.3177.2171-122.6000112F99 L130 Q145 A148 R149 A152 E161F99-Y159 AromaticContact CE1-CE2 3.86Å; F99-Y159 HydrophobicContact CE1-CE2 3.86Å; F99-Y159 AromaticContact CZ-CE2 3.94Å; F99-Y159 HydrophobicContact CZ-CE2 3.94Å; L130-Y159 HydrophobicContact CB-CD2 4.17Å; L130-Y159 HydrophobicContact CD2-CD2 3.9Å; L130-Y159 HydrophobicContact CD2-CE2 4.48Å; L130-Y159 HydrophobicContact CG-CD2 3.93Å; L130-Y159 WeakPolarHBondContact O-CA 3.42Å; L130-Y159 WeakPolarHBondContact O-CD2 3.31Å; Q145-Y159 HydrophobicContact CG-CE1 4.24Å; A148-Y159 HydrophobicContact CB-CD1 4.46Å; A148-Y159 HydrophobicContact CB-CE1 3.71Å; A148-Y159 HydrophobicContact CB-CE2 3.82Å; A148-Y159 VanDerWaalsContact CB-OH 3.23Å; A148-Y159 WeakPolarHBondContact CB-OH 3.29Å; R149-Y159 HydrophobicContact CB-CD1 4.31Å; A152-Y159 HydrophobicContact CB-CG 4.37Å; Y159-E161 HydrophobicContact CE1-CG 4.04Å; Y159-E161 HydrophobicContact CE2-CG 4.44Å; Y159-E161 WeakPolarHBondContact OH-CG 3.47Å; Y159-E161 PolarHBondContact OH-OE1 3.16Å
160F98.8Very high97.9Very high43 Ų4348.2 Ų48.219%0.18926%0.264CS..EExtended strand (participates in β ladder)trans-127.6136.8173.7-65.5-90.3000110.7V129 L130 C131 G132 P158 T162 N169 E172 A173 V176V129-F160 HydrophobicContact CG1-CD2 3.6Å; V129-F160 HydrophobicContact CG1-CE2 3.96Å; L130-F160 PolarHBondContact O-N 3.13Å; C131-F160 CarbonylContact C-O 3.3Å; C131-F160 WeakPolarHBondContact CA-O 3.42Å; G132-F160 PolarHBondContact N-O 2.86Å; P158-F160 HydrophobicContact CB-CE2 4Å; F160-T162 HydrophobicContact CB-CG2 3.77Å; F160-N169 HydrophobicContact CB-CB 4.4Å; F160-N169 HydrophobicContact CD1-CB 4.31Å; F160-E172 HydrophobicContact CE1-CB 4.29Å; F160-A173 HydrophobicContact CB-CB 4.17Å; F160-A173 HydrophobicContact CD2-CB 3.85Å; F160-A173 HydrophobicContact CE2-CB 4.48Å; F160-A173 HydrophobicContact CG-CB 3.98Å; F160-V176 HydrophobicContact CE2-CB 4.16Å; F160-V176 HydrophobicContact CE2-CG1 4.19Å; F160-V176 HydrophobicContact CE2-CG2 4.29Å; F160-V176 HydrophobicContact CZ-CB 4.18Å; F160-V176 HydrophobicContact CZ-CG1 4.42Å; F160-V176 HydrophobicContact CZ-CG2 3.8Å
161E98.8Very high97.9Very high25 Ų2544.3 Ų44.312%0.11725%0.251CS..EExtended strand (participates in β ladder)trans-86.8120160.4-71.3-170.7166.500108.5L101 G132 C135 R141 Q145 Y159 N169L101-E161 HydrophobicContact CD1-CB 4.26Å; L101-E161 HydrophobicContact CD1-CG 4.06Å; L101-E161 HydrophobicContact CD2-CG 4.5Å; G132-E161 CarbonylContact O-C 3.6Å; G132-E161 VanDerWaalsContact O-CA 3.31Å; G132-E161 WeakPolarHBondContact O-CA 3.47Å; C135-E161 HydrophobicContact CB-CB 4.04Å; R141-E161 IonicContact CZ-OE1 3.69Å; R141-E161 VanDerWaalsContact CZ-OE1 3.24Å; R141-E161 IonicContact CZ-OE2 2.72Å; R141-E161 IonicContact NH1-OE1 2.66Å; R141-E161 PolarHBondContact NH1-OE1 3.31Å; R141-E161 IonicContact NH2-OE1 3.83Å; R141-E161 PolarHBondContact NH2-OE1 3.04Å; R141-E161 IonicContact NH2-OE2 3.03Å; R141-E161 PolarHBondContact NH2-OE2 3.44Å; Q145-E161 WeakPolarHBondContact CB-OE1 3.34Å; Q145-E161 WeakPolarHBondContact CG-OE1 3.14Å; Y159-E161 HydrophobicContact CE1-CG 4.04Å; Y159-E161 HydrophobicContact CE2-CG 4.44Å; Y159-E161 WeakPolarHBondContact OH-CG 3.47Å; Y159-E161 PolarHBondContact OH-OE1 3.16Å; E161-N169 WeakPolarHBondContact O-CB 3.37Å; E161-N169 PolarHBondContact O-ND2 3.32Å
162T98.8Very high97.9Very high0 Ų048.2 Ų48.20%027%0.269CS..  trans-121.7156.5-170.564.90000111.2F25 C131 G132 N133 K134 C135 F160 Q168 N169 A173F25-T162 HydrophobicContact CE2-CG2 3.94Å; C131-T162 HydrophobicContact CB-CG2 4.35Å; G132-T162 PolarHBondContact O-N 2.81Å; N133-T162 CarbonylContact C-O 3.5Å; N133-T162 VanDerWaalsContact C-O 3.3Å; N133-T162 VanDerWaalsContact CA-O 3.25Å; N133-T162 WeakPolarHBondContact CA-O 3.4Å; N133-T162 PolarHBondContact OD1-O 2.94Å; N133-T162 PolarHBondContact OD1-OG1 3.49Å; K134-T162 PolarHBondContact N-O 2.97Å; C135-T162 PolarHBondContact N-O 2.84Å; C135-T162 PolarHBondContact SG-O 2.93Å; F160-T162 HydrophobicContact CB-CG2 3.77Å; T162-Q168 VanDerWaalsContact CA-O 3.28Å; T162-Q168 WeakPolarHBondContact CA-O 3.47Å; T162-N169 HydrophobicContact CG2-CB 3.94Å; T162-A173 HydrophobicContact CG2-CB 4.37Å
163S98.4Very high97.9Very high0 Ų048.1 Ų48.10%027%0.268CS..  trans-134.9108.9171.3169.40000109.1D136 A165 S166 G167 Q168D136-S163 WeakPolarHBondContact OD1-CB 3.4Å; D136-S163 PolarHBondContact OD1-OG 2.79Å; S163-A165 PolarHBondContact O-N 2.7Å; S163-A165 PolarHBondContact OG-N 3.5Å; S163-S166 WeakPolarHBondContact CB-OG 3.32Å; S163-S166 PolarHBondContact O-N 3.29Å; S163-S166 PolarHBondContact OG-N 3.43Å; S163-S166 PolarHBondContact OG-OG 3.25Å; S163-G167 CarbonylContact O-C 3.52Å; S163-G167 VanDerWaalsContact O-CA 3.26Å; S163-G167 WeakPolarHBondContact O-CA 3.47Å; S163-G167 PolarHBondContact O-N 3.13Å; S163-Q168 PolarHBondContact N-O 2.78Å; S163-Q168 PolarHBondContact O-N 2.81Å
164A97.5Very high98Very high3 Ų341.8 Ų41.83%0.02524%0.238CC..THydrogen-bonded Turntrans-62.4-22.3170.100000112.6F25 Q28 F34 N133F25-A164 HydrophobicContact CB-CB 4.44Å; Q28-A164 WeakPolarHBondContact CG-O 3.38Å; Q28-A164 PolarHBondContact OE1-O 3.25Å; F34-A164 HydrophobicContact CD2-CB 4.25Å; F34-A164 VanDerWaalsContact CD2-O 3.29Å; F34-A164 WeakPolarHBondContact CD2-O 3.43Å; F34-A164 HydrophobicContact CE2-CB 4.23Å; N133-A164 PolarHBondContact OD1-N 3.37Å
165A96.7Very high98Very high40 Ų4038 Ų3833%0.33123%0.225SC..THydrogen-bonded Turntrans-76.8-42.1179.900000112.7F34 S163F34-A165 HydrophobicContact CD1-CB 4.01Å; F34-A165 HydrophobicContact CD2-CB 4.32Å; F34-A165 HydrophobicContact CE1-CB 3.91Å; F34-A165 HydrophobicContact CE2-CB 4.25Å; F34-A165 HydrophobicContact CG-CB 4.21Å; F34-A165 HydrophobicContact CZ-CB 4.05Å; S163-A165 PolarHBondContact O-N 2.7Å; S163-A165 PolarHBondContact OG-N 3.5Å
166S96.9Very high98.1Very high72 Ų7237 Ų3750%0.50323%0.226SC..THydrogen-bonded Turntrans-97.8-17-179.963.50000113.8S163 Q168S163-S166 WeakPolarHBondContact CB-OG 3.32Å; S163-S166 PolarHBondContact O-N 3.29Å; S163-S166 PolarHBondContact OG-N 3.43Å; S163-S166 PolarHBondContact OG-OG 3.25Å; S166-Q168 VanDerWaalsContact C-N 3.31Å; S166-Q168 WeakPolarHBondContact OG-CB 3.4Å; S166-Q168 PolarHBondContact OG-N 3.37Å
167G97.6Very high98.2Very high19 Ų1933.8 Ų33.820%0.19619%0.193CC..  trans85.1-2.2-170.900000114.5S163 N169 V170S163-G167 CarbonylContact O-C 3.52Å; S163-G167 VanDerWaalsContact O-CA 3.26Å; S163-G167 WeakPolarHBondContact O-CA 3.47Å; S163-G167 PolarHBondContact O-N 3.13Å; G167-N169 PolarHBondContact O-N 3.27Å; G167-V170 PolarHBondContact O-N 2.88Å
168Q98.4Very high98.1Very high96 Ų9632.9 Ų32.945%0.44919%0.188SC..THydrogen-bonded Turntrans-55.2126.2-177.9-178.5178-21.300111.6T162 S163 S166 V170T162-Q168 VanDerWaalsContact CA-O 3.28Å; T162-Q168 WeakPolarHBondContact CA-O 3.47Å; S163-Q168 PolarHBondContact N-O 2.78Å; S163-Q168 PolarHBondContact O-N 2.81Å; S166-Q168 VanDerWaalsContact C-N 3.31Å; S166-Q168 WeakPolarHBondContact OG-CB 3.4Å; S166-Q168 PolarHBondContact OG-N 3.37Å; Q168-V170 PolarHBondContact O-N 3.03Å
169N98.4Very high98Very high49 Ų4933.1 Ų33.126%0.26219%0.187SC..THydrogen-bonded Turntrans588.8177.1-63.5-31.2000115.5F160 E161 T162 G167 E172 A173F160-N169 HydrophobicContact CB-CB 4.4Å; F160-N169 HydrophobicContact CD1-CB 4.31Å; E161-N169 WeakPolarHBondContact O-CB 3.37Å; E161-N169 PolarHBondContact O-ND2 3.32Å; T162-N169 HydrophobicContact CG2-CB 3.94Å; G167-N169 PolarHBondContact O-N 3.27Å; N169-E172 VanDerWaalsContact C-OE2 3.23Å; N169-E172 WeakPolarHBondContact CA-OE2 3.47Å; N169-A173 VanDerWaalsContact O-CB 3.31Å; N169-A173 WeakPolarHBondContact O-CB 3.46Å; N169-A173 PolarHBondContact O-N 3.2Å; N169-A173 VanDerWaalsContact O-N 3.08Å
170V98.5Very high97.9Very high1 Ų133.6 Ų33.61%0.00619%0.192CC..Hα-helixtrans-69.2-45.1-178.3172.40000110.5F25 Q28 Y29 G167 Q168 V174F25-V170 HydrophobicContact CD1-CG1 4.41Å; F25-V170 HydrophobicContact CD2-CB 4.48Å; F25-V170 HydrophobicContact CD2-CG1 4.15Å; F25-V170 HydrophobicContact CD2-CG2 3.93Å; F25-V170 HydrophobicContact CE1-CG1 4.14Å; F25-V170 HydrophobicContact CE2-CB 4.03Å; F25-V170 HydrophobicContact CE2-CG1 3.88Å; F25-V170 HydrophobicContact CE2-CG2 3.83Å; F25-V170 HydrophobicContact CG-CG1 4.4Å; F25-V170 HydrophobicContact CZ-CB 4.33Å; F25-V170 HydrophobicContact CZ-CG1 3.87Å; Q28-V170 HydrophobicContact CB-CG1 4.4Å; Q28-V170 HydrophobicContact CG-CB 4.49Å; Q28-V170 HydrophobicContact CG-CG1 4.32Å; Q28-V170 HydrophobicContact CG-CG2 4.17Å; Y29-V170 HydrophobicContact CD2-CG1 4.4Å; G167-V170 PolarHBondContact O-N 2.88Å; Q168-V170 PolarHBondContact O-N 3.03Å; V170-V174 WeakPolarHBondContact O-CG2 3.47Å; V170-V174 PolarHBondContact O-N 3.35Å
171S98Very high97.7Very high45 Ų4531.6 Ų31.632%0.31518%0.183SC..Hα-helixtrans-72.2-42.9179.8-58.80000110.8A173 V174 D175S171-A173 VanDerWaalsContact C-N 3.34Å; S171-A173 PolarHBondContact O-N 3.07Å; S171-V174 PolarHBondContact O-N 3.37Å; S171-V174 VanDerWaalsContact O-N 3.08Å; S171-D175 WeakPolarHBondContact O-CB 3.3Å; S171-D175 PolarHBondContact O-N 3.24Å
172E98.4Very high97.4Very high92 Ų9230.5 Ų30.543%0.4318%0.178SC..Hα-helixtrans-58.4-43.7-179.3-64.681.4172.300111.7F160 N169 V174 D175 V176F160-E172 HydrophobicContact CE1-CB 4.29Å; N169-E172 VanDerWaalsContact C-OE2 3.23Å; N169-E172 WeakPolarHBondContact CA-OE2 3.47Å; E172-V174 PolarHBondContact O-N 3.26Å; E172-D175 PolarHBondContact O-N 2.97Å; E172-V176 WeakPolarHBondContact O-CB 3.39Å; E172-V176 WeakPolarHBondContact O-CG2 3.39Å; E172-V176 PolarHBondContact O-N 3.19Å
173A98.6Very high97.1Very high0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-63.8-39.5176.600000112.6F25 V129 F160 T162 N169 S171 L177F25-A173 HydrophobicContact CZ-CB 4.22Å; V129-A173 HydrophobicContact CG1-CB 4.17Å; F160-A173 HydrophobicContact CB-CB 4.17Å; F160-A173 HydrophobicContact CD2-CB 3.85Å; F160-A173 HydrophobicContact CE2-CB 4.48Å; F160-A173 HydrophobicContact CG-CB 3.98Å; T162-A173 HydrophobicContact CG2-CB 4.37Å; N169-A173 VanDerWaalsContact O-CB 3.31Å; N169-A173 WeakPolarHBondContact O-CB 3.46Å; N169-A173 PolarHBondContact O-N 3.2Å; N169-A173 VanDerWaalsContact O-N 3.08Å; S171-A173 VanDerWaalsContact C-N 3.34Å; S171-A173 PolarHBondContact O-N 3.07Å; A173-L177 PolarHBondContact O-N 3.07Å
174V98.3Very high96.7Very high0 Ų036.8 Ų36.80%020%0.204CC..Hα-helixtrans-72.5-40.3178.3179.70000111.3F12 F25 Y29 L70 L96 V170 S171 E172 L177 L178F12-V174 HydrophobicContact CD2-CG1 4.12Å; F12-V174 HydrophobicContact CE2-CG1 3.86Å; F25-V174 HydrophobicContact CE1-CG2 3.75Å; F25-V174 HydrophobicContact CZ-CG2 4.05Å; Y29-V174 HydrophobicContact CD1-CG1 4.44Å; Y29-V174 HydrophobicContact CD1-CG2 4.49Å; Y29-V174 HydrophobicContact CD2-CB 3.96Å; Y29-V174 HydrophobicContact CD2-CG1 4.32Å; Y29-V174 HydrophobicContact CD2-CG2 3.78Å; Y29-V174 HydrophobicContact CE1-CB 4.47Å; Y29-V174 HydrophobicContact CE1-CG1 3.79Å; Y29-V174 HydrophobicContact CE2-CB 3.53Å; Y29-V174 HydrophobicContact CE2-CG1 3.66Å; Y29-V174 HydrophobicContact CE2-CG2 3.9Å; Y29-V174 HydrophobicContact CG-CG2 4.09Å; Y29-V174 WeakPolarHBondContact OH-CG1 3.44Å; L70-V174 HydrophobicContact CD1-CG1 4.41Å; L96-V174 HydrophobicContact CD1-CG2 4.1Å; L96-V174 HydrophobicContact CD2-CG2 4.32Å; V170-V174 WeakPolarHBondContact O-CG2 3.47Å; V170-V174 PolarHBondContact O-N 3.35Å; S171-V174 PolarHBondContact O-N 3.37Å; S171-V174 VanDerWaalsContact O-N 3.08Å; E172-V174 PolarHBondContact O-N 3.26Å; V174-L177 PolarHBondContact O-N 3Å; V174-L178 WeakPolarHBondContact O-CB 3.42Å; V174-L178 PolarHBondContact O-N 3.44Å
175D97.4Very high96.3Very high78 Ų7839.4 Ų39.442%0.41722%0.217SC..Hα-helixtrans-67.5-37179.9-67.1-16.9000111.2S171 E172 L178 D179S171-D175 WeakPolarHBondContact O-CB 3.3Å; S171-D175 PolarHBondContact O-N 3.24Å; E172-D175 PolarHBondContact O-N 2.97Å; D175-L178 WeakPolarHBondContact O-CB 3.31Å; D175-L178 PolarHBondContact O-N 3.5Å; D175-D179 WeakPolarHBondContact O-CB 3.43Å; D175-D179 PolarHBondContact O-N 3.43Å
176V98.2Very high95.7Very high47 Ų4740.6 Ų40.629%0.28522%0.215SC..Hα-helixtrans-66.2-41.6172.5166.70000111.8V129 P158 F160 E172 L178 D179 L180V129-V176 HydrophobicContact CG2-CG1 4.23Å; P158-V176 HydrophobicContact CB-CG1 4.09Å; P158-V176 HydrophobicContact CG-CG1 3.93Å; F160-V176 HydrophobicContact CE2-CB 4.16Å; F160-V176 HydrophobicContact CE2-CG1 4.19Å; F160-V176 HydrophobicContact CE2-CG2 4.29Å; F160-V176 HydrophobicContact CZ-CB 4.18Å; F160-V176 HydrophobicContact CZ-CG1 4.42Å; F160-V176 HydrophobicContact CZ-CG2 3.8Å; E172-V176 WeakPolarHBondContact O-CB 3.39Å; E172-V176 WeakPolarHBondContact O-CG2 3.39Å; E172-V176 PolarHBondContact O-N 3.19Å; V176-L178 VanDerWaalsContact C-N 3.29Å; V176-L178 PolarHBondContact O-N 3.2Å; V176-D179 PolarHBondContact O-N 3.03Å; V176-L180 WeakPolarHBondContact O-CG 3.45Å; V176-L180 PolarHBondContact O-N 3.44Å
177L98.3Very high95.1Very high0 Ų044.1 Ų44.10%022%0.217CC..Hα-helixtrans-61.7-40.9174.4-178.659.2000111.4F12 L96 D127 V129 A173 V174 L180 I181F12-L177 HydrophobicContact CB-CD2 4.34Å; F12-L177 HydrophobicContact CD1-CD2 3.93Å; F12-L177 HydrophobicContact CD1-CG 4.26Å; F12-L177 HydrophobicContact CD2-CD2 3.89Å; F12-L177 HydrophobicContact CD2-CG 4.47Å; F12-L177 HydrophobicContact CE1-CD2 4.24Å; F12-L177 HydrophobicContact CE1-CG 4.08Å; F12-L177 HydrophobicContact CE2-CB 4.47Å; F12-L177 HydrophobicContact CE2-CD2 4.16Å; F12-L177 HydrophobicContact CE2-CG 4.25Å; F12-L177 HydrophobicContact CG-CD2 3.79Å; F12-L177 HydrophobicContact CG-CG 4.49Å; F12-L177 HydrophobicContact CZ-CD2 4.34Å; F12-L177 HydrophobicContact CZ-CG 4.07Å; L96-L177 HydrophobicContact CD2-CD2 3.84Å; L96-L177 HydrophobicContact CG-CD2 3.75Å; D127-L177 HydrophobicContact CB-CD1 3.99Å; V129-L177 HydrophobicContact CG2-CB 3.76Å; V129-L177 HydrophobicContact CG2-CD1 4.18Å; A173-L177 PolarHBondContact O-N 3.07Å; V174-L177 PolarHBondContact O-N 3Å; L177-L180 PolarHBondContact O-N 2.92Å; L177-I181 HydrophobicContact CD1-CD1 3.97Å; L177-I181 HydrophobicContact CG-CD1 4.05Å; L177-I181 WeakPolarHBondContact O-CD1 3.25Å; L177-I181 WeakPolarHBondContact O-CG1 3.46Å; L177-I181 PolarHBondContact O-N 3.03Å
178L97.4Very high94.2Very high5 Ų547.2 Ų47.23%0.02624%0.236CC..Hα-helixtrans-61.3-49.8175.1178.258.2000111.6I10 F12 V51 Y53 I68 L70 V174 D175 V176 L180 I181 M182I10-L178 HydrophobicContact CD1-CD1 3.53Å; F12-L178 HydrophobicContact CE2-CB 4.34Å; F12-L178 HydrophobicContact CZ-CB 3.95Å; F12-L178 HydrophobicContact CZ-CD1 4.19Å; V51-L178 HydrophobicContact CG2-CD2 3.84Å; Y53-L178 HydrophobicContact CD2-CD2 4.36Å; Y53-L178 HydrophobicContact CD2-CG 4.3Å; I68-L178 HydrophobicContact CG2-CD1 4.14Å; L70-L178 HydrophobicContact CD2-CD1 4.19Å; V174-L178 WeakPolarHBondContact O-CB 3.42Å; V174-L178 PolarHBondContact O-N 3.44Å; D175-L178 WeakPolarHBondContact O-CB 3.31Å; D175-L178 PolarHBondContact O-N 3.5Å; V176-L178 VanDerWaalsContact C-N 3.29Å; V176-L178 PolarHBondContact O-N 3.2Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 2.98Å; L178-I181 PolarHBondContact O-N 3.11Å; L178-I181 VanDerWaalsContact O-N 3.11Å; L178-M182 HydrophobicContact CD1-CG 3.81Å; L178-M182 HydrophobicContact CD1-SD 4.08Å; L178-M182 HydrophobicContact CG-CG 4.16Å; L178-M182 VanDerWaalsContact O-CG 3.27Å; L178-M182 WeakPolarHBondContact O-CG 3.48Å; L178-M182 PolarHBondContact O-N 2.72Å
179D95.8Very high92.9Very high45 Ų4546.5 Ų46.524%0.24124%0.238CC..Hα-helixtrans-56.3-43.9177.9175.872.6000112.5Y53 D175 V176 I181 M182 K183Y53-D179 HydrophobicContact CE2-CB 4.31Å; Y53-D179 PolarHBondContact OH-OD1 3.06Å; D175-D179 WeakPolarHBondContact O-CB 3.43Å; D175-D179 PolarHBondContact O-N 3.43Å; V176-D179 PolarHBondContact O-N 3.03Å; D179-I181 VanDerWaalsContact C-N 3.29Å; D179-I181 PolarHBondContact O-N 3.02Å; D179-M182 PolarHBondContact O-N 2.66Å; D179-K183 VanDerWaalsContact CG-NZ 3.28Å; D179-K183 WeakPolarHBondContact O-CB 3.46Å; D179-K183 WeakPolarHBondContact O-CG 3.16Å; D179-K183 PolarHBondContact O-N 3.41Å; D179-K183 WeakPolarHBondContact OD1-CE 3.41Å; D179-K183 IonicContact OD1-NZ 2.73Å; D179-K183 PolarHBondContact OD1-NZ 3.24Å; D179-K183 VanDerWaalsContact OD1-NZ 3.08Å; D179-K183 WeakPolarHBondContact OD2-CE 3.44Å; D179-K183 IonicContact OD2-NZ 2.84Å; D179-K183 PolarHBondContact OD2-NZ 3.36Å
180L95.6Very high91.2Very high46 Ų4649.4 Ų49.424%0.24125%0.253CS..Hα-helixtrans-56.2-45.6175.6-72175.6000111.9D127 V129 P158 V176 L177 L178 R184D127-L180 HydrophobicContact CB-CB 4.31Å; V129-L180 HydrophobicContact CG2-CD1 4.46Å; P158-L180 HydrophobicContact CG-CD1 4.04Å; V176-L180 WeakPolarHBondContact O-CG 3.45Å; V176-L180 PolarHBondContact O-N 3.44Å; L177-L180 PolarHBondContact O-N 2.92Å; L178-L180 VanDerWaalsContact C-N 3.33Å; L178-L180 PolarHBondContact O-N 2.98Å; L180-R184 WeakPolarHBondContact O-CB 3.42Å; L180-R184 PolarHBondContact O-N 3.08Å
181I94.9Very high89Confident0 Ų057.2 Ų57.20%029%0.287CS..Hα-helixtrans-72.5-42.7-176.4-71163.7000111.1I10 F12 M93 G94 D127 L177 L178 D179 R184 M185I10-I181 HydrophobicContact CD1-CG2 4.31Å; I10-I181 HydrophobicContact CG2-CG2 4.45Å; F12-I181 HydrophobicContact CD1-CD1 3.92Å; F12-I181 HydrophobicContact CE1-CD1 3.25Å; F12-I181 HydrophobicContact CZ-CD1 4.09Å; M93-I181 HydrophobicContact CB-CD1 4.27Å; M93-I181 HydrophobicContact CB-CG2 4.39Å; M93-I181 HydrophobicContact CE-CG2 3.62Å; G94-I181 VanDerWaalsContact CA-CD1 3.5Å; D127-I181 HydrophobicContact CB-CD1 4.3Å; D127-I181 HydrophobicContact CB-CG1 3.87Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.34Å; L177-I181 HydrophobicContact CD1-CD1 3.97Å; L177-I181 HydrophobicContact CG-CD1 4.05Å; L177-I181 WeakPolarHBondContact O-CD1 3.25Å; L177-I181 WeakPolarHBondContact O-CG1 3.46Å; L177-I181 PolarHBondContact O-N 3.03Å; L178-I181 PolarHBondContact O-N 3.11Å; L178-I181 VanDerWaalsContact O-N 3.11Å; D179-I181 VanDerWaalsContact C-N 3.29Å; D179-I181 PolarHBondContact O-N 3.02Å; I181-R184 WeakPolarHBondContact O-CB 3.2Å; I181-R184 PolarHBondContact O-N 3.38Å; I181-R184 VanDerWaalsContact O-N 3.16Å; I181-M185 HydrophobicContact CG2-SD 4.18Å; I181-M185 WeakPolarHBondContact O-CG 3.41Å; I181-M185 PolarHBondContact O-N 3.23Å
182M93.5Very high86.7Confident3 Ų359.6 Ų59.62%0.01530%0.303CS..Hα-helixtrans-60.3-47.4175.9-65.8-52-68.300110.7Y8 I10 Y53 I68 L178 D179 R184 M185 E186Y8-M182 HydrophobicContact CD2-CE 4.04Å; Y8-M182 HydrophobicContact CE2-CE 4.14Å; Y8-M182 HydrophobicContact CG-CE 4.44Å; I10-M182 HydrophobicContact CD1-SD 3.35Å; I10-M182 WeakPolarHBondContact CD1-SD 3.41Å; Y53-M182 HydrophobicContact CD1-CB 4.16Å; Y53-M182 HydrophobicContact CD1-CE 3.85Å; Y53-M182 HydrophobicContact CD1-CG 3.82Å; Y53-M182 HydrophobicContact CD2-CG 4.14Å; Y53-M182 HydrophobicContact CE1-CB 3.61Å; Y53-M182 HydrophobicContact CE1-CE 4.24Å; Y53-M182 HydrophobicContact CE1-CG 3.8Å; Y53-M182 HydrophobicContact CE2-CB 4.23Å; Y53-M182 HydrophobicContact CE2-CG 4.13Å; Y53-M182 HydrophobicContact CG-CG 3.99Å; I68-M182 HydrophobicContact CD1-CE 3.82Å; I68-M182 HydrophobicContact CD1-SD 3.98Å; L178-M182 HydrophobicContact CD1-CG 3.81Å; L178-M182 HydrophobicContact CD1-SD 4.08Å; L178-M182 HydrophobicContact CG-CG 4.16Å; L178-M182 VanDerWaalsContact O-CG 3.27Å; L178-M182 WeakPolarHBondContact O-CG 3.48Å; L178-M182 PolarHBondContact O-N 2.72Å; D179-M182 PolarHBondContact O-N 2.66Å; M182-R184 VanDerWaalsContact C-N 3.26Å; M182-R184 PolarHBondContact O-N 3.39Å; M182-M185 WeakPolarHBondContact O-CB 3.44Å; M182-M185 PolarHBondContact O-N 3.21Å; M182-M185 VanDerWaalsContact O-N 3.13Å; M182-M185 HydrophobicContact SD-SD 4.38Å; M182-E186 WeakPolarHBondContact O-CG 3.01Å; M182-E186 PolarHBondContact O-N 3.19Å
183K91.3Very high83.9Confident90 Ų9065.2 Ų65.239%0.39132%0.321SS..Hα-helixtrans-62-32.8175-75.1173.2175.8161.90113D179 R187D179-K183 VanDerWaalsContact CG-NZ 3.28Å; D179-K183 WeakPolarHBondContact O-CB 3.46Å; D179-K183 WeakPolarHBondContact O-CG 3.16Å; D179-K183 PolarHBondContact O-N 3.41Å; D179-K183 WeakPolarHBondContact OD1-CE 3.41Å; D179-K183 IonicContact OD1-NZ 2.73Å; D179-K183 PolarHBondContact OD1-NZ 3.24Å; D179-K183 VanDerWaalsContact OD1-NZ 3.08Å; D179-K183 WeakPolarHBondContact OD2-CE 3.44Å; D179-K183 IonicContact OD2-NZ 2.84Å; D179-K183 PolarHBondContact OD2-NZ 3.36Å; K183-R187 VanDerWaalsContact O-CG 3.32Å; K183-R187 WeakPolarHBondContact O-CG 3.44Å; K183-R187 PolarHBondContact O-N 3.17Å; K183-R187 PolarHBondContact O-NE 3.36Å
184R90.8Very high81.2Confident42 Ų4271.7 Ų71.716%0.15835%0.354CS..Hα-helixtrans-71-40.7174.9-174.6176.263.5-167.2-1111.2M93 Y122 D127 L180 I181 M182 R187 C188M93-R184 PolarHBondContact O-NH2 2.81Å; Y122-R184 PolarHBondContact OH-NE 3.02Å; Y122-R184 PolarHBondContact OH-NH1 3.27Å; Y122-R184 PolarHBondContact OH-NH2 3.39Å; D127-R184 IonicContact OD1-NH1 3.91Å; D127-R184 PolarHBondContact OD1-NH1 2.94Å; D127-R184 IonicContact OD2-CZ 2.76Å; D127-R184 IonicContact OD2-NE 2.68Å; D127-R184 PolarHBondContact OD2-NE 3.42Å; D127-R184 IonicContact OD2-NH1 3.08Å; D127-R184 PolarHBondContact OD2-NH1 2.63Å; D127-R184 IonicContact OD2-NH2 2.67Å; D127-R184 PolarHBondContact OD2-NH2 3.12Å; L180-R184 WeakPolarHBondContact O-CB 3.42Å; L180-R184 PolarHBondContact O-N 3.08Å; I181-R184 WeakPolarHBondContact O-CB 3.2Å; I181-R184 PolarHBondContact O-N 3.38Å; I181-R184 VanDerWaalsContact O-N 3.16Å; M182-R184 VanDerWaalsContact C-N 3.26Å; M182-R184 PolarHBondContact O-N 3.39Å; R184-R187 PolarHBondContact O-N 3.24Å; R184-C188 PolarHBondContact O-N 3.25Å; R184-C188 VanDerWaalsContact O-N 3.13Å; R184-C188 PolarHBondContact O-SG 3.44Å; R184-C188 VanDerWaalsContact O-SG 3.37Å
185M88.3Confident78.4Confident58 Ų5876.6 Ų76.629%0.28639%0.386SS..Hα-helixtrans-62.4-46.8175.2-71.7175.9122.100111.5I10 M93 I181 M182 R187 C188 V189I10-M185 HydrophobicContact CD1-SD 4.46Å; M93-M185 HydrophobicContact CE-CE 3.22Å; M93-M185 HydrophobicContact CE-CG 4.5Å; M93-M185 HydrophobicContact CE-SD 3.71Å; I181-M185 HydrophobicContact CG2-SD 4.18Å; I181-M185 WeakPolarHBondContact O-CG 3.41Å; I181-M185 PolarHBondContact O-N 3.23Å; M182-M185 WeakPolarHBondContact O-CB 3.44Å; M182-M185 PolarHBondContact O-N 3.21Å; M182-M185 VanDerWaalsContact O-N 3.13Å; M182-M185 HydrophobicContact SD-SD 4.38Å; M185-R187 PolarHBondContact O-N 2.83Å; M185-C188 PolarHBondContact O-N 3.18Å; M185-C188 VanDerWaalsContact O-N 3.11Å; M185-V189 WeakPolarHBondContact O-CG2 3.47Å; M185-V189 PolarHBondContact O-N 3.15Å
186E85.5Confident75.8Confident64 Ų6481.1 Ų81.130%0.29941%0.41SS..Hα-helixtrans-54.3-49.4175.3-72.1172.7174.300111.3S55 M182 C188 V189 D190S55-E186 PolarHBondContact OG-OE1 3.21Å; M182-E186 WeakPolarHBondContact O-CG 3.01Å; M182-E186 PolarHBondContact O-N 3.19Å; E186-C188 VanDerWaalsContact C-N 3.28Å; E186-C188 PolarHBondContact O-N 3.47Å; E186-V189 PolarHBondContact O-N 3.16Å; E186-V189 VanDerWaalsContact O-N 3.15Å; E186-D190 PolarHBondContact O-N 3.34Å
187R84.6Confident73.2Confident146 Ų14681.2 Ų81.255%0.55142%0.42SS*.Hα-helixtrans-61.7-30.8177.7-75.4179.2-79.9174.5-4114.2K183 R184 M185 K191K183-R187 VanDerWaalsContact O-CG 3.32Å; K183-R187 WeakPolarHBondContact O-CG 3.44Å; K183-R187 PolarHBondContact O-N 3.17Å; K183-R187 PolarHBondContact O-NE 3.36Å; R184-R187 PolarHBondContact O-N 3.24Å; M185-R187 PolarHBondContact O-N 2.83Å; R187-K191 WeakPolarHBondContact O-CG 3.41Å; R187-K191 PolarHBondContact O-N 2.86Å
188C78.7Confident70.6Confident85 Ų8587.8 Ų87.857%0.57446%0.461SS*.Hα-helixtrans-77.6-34.4176.9-72.80000111.9R184 M185 E186 S192R184-C188 PolarHBondContact O-N 3.25Å; R184-C188 VanDerWaalsContact O-N 3.13Å; R184-C188 PolarHBondContact O-SG 3.44Å; R184-C188 VanDerWaalsContact O-SG 3.37Å; M185-C188 PolarHBondContact O-N 3.18Å; M185-C188 VanDerWaalsContact O-N 3.11Å; E186-C188 VanDerWaalsContact C-N 3.28Å; E186-C188 PolarHBondContact O-N 3.47Å; C188-S192 PolarHBondContact O-N 3.37Å
189V71.1Confident67.5Low81 Ų8194.2 Ų94.249%0.49150%0.5SS..Hα-helixtrans-67.9-45.9175.4174.60000110.5M185 E186 K191 S192M185-V189 WeakPolarHBondContact O-CG2 3.47Å; M185-V189 PolarHBondContact O-N 3.15Å; E186-V189 PolarHBondContact O-N 3.16Å; E186-V189 VanDerWaalsContact O-N 3.15Å; V189-K191 VanDerWaalsContact C-N 3.28Å; V189-K191 PolarHBondContact O-N 3.27Å; V189-S192 WeakPolarHBondContact O-CB 3.26Å; V189-S192 PolarHBondContact O-N 2.92Å; V189-S192 PolarHBondContact O-OG 3.04Å
190D61.8Low64.9Low110 Ų110103.3 Ų103.359%0.58853%0.531SS*.Hα-helixtrans-61.9-35-179.7-70.8-21.1000112.8E186 S192 W193E186-D190 PolarHBondContact O-N 3.34Å; D190-S192 VanDerWaalsContact C-N 3.3Å; D190-S192 PolarHBondContact O-N 3.26Å; D190-W193 PolarHBondContact O-N 3.4Å
191K52.3Low61.9Low164 Ų164107.1 Ų107.171%0.71356%0.558SS**Hα-helixtrans-70.4-24175.7-74.8178.8-179.9-1790113.9R187 V189 W193R187-K191 WeakPolarHBondContact O-CG 3.41Å; R187-K191 PolarHBondContact O-N 2.86Å; V189-K191 VanDerWaalsContact C-N 3.28Å; V189-K191 PolarHBondContact O-N 3.27Å; K191-W193 PolarHBondContact O-N 2.81Å
192S49.1Very low58.9Low95 Ų95115.2 Ų115.266%0.66460%0.601SS**THydrogen-bonded Turntrans-75.8-7.4175.271.90000113.1C188 V189 D190C188-S192 PolarHBondContact O-N 3.37Å; V189-S192 WeakPolarHBondContact O-CB 3.26Å; V189-S192 PolarHBondContact O-N 2.92Å; V189-S192 PolarHBondContact O-OG 3.04Å; D190-S192 VanDerWaalsContact C-N 3.3Å; D190-S192 PolarHBondContact O-N 3.26Å
193W41.2Very low55.9Low210 Ų210118.8 Ų118.880%0.79564%0.639SS**THydrogen-bonded Turntrans-100.824.9-178.8-134.4-29.9000114.7D190 K191 P195D190-W193 PolarHBondContact O-N 3.4Å; K191-W193 PolarHBondContact O-N 2.81Å; W193-P195 WeakPolarHBondContact O-CD 3.29Å
194I40.3Very low53.1Low137 Ų137119.5 Ų119.570%0.70366%0.662SS**  trans-92.7105.8164.7-53.5175.7000107.1D196I194-D196 PolarHBondContact O-N 3.24Å
195P40.3Very low50.4Low103 Ų103121.7 Ų121.767%0.66969%0.689SS**  trans-70130.1168.912.5-0.3000108.3W193 G197W193-P195 WeakPolarHBondContact O-CD 3.29Å; P195-G197 PolarHBondContact O-N 3.42Å
196D42.3Very low47.9Very low173 Ų173126.3 Ų126.393%0.92572%0.715SS**SBendtrans-58.6119.3158.7-166.613.9000108.2I194I194-D196 PolarHBondContact O-N 3.24Å
197G44.2Very low46.5Very low48 Ų48128.4 Ų128.450%0.49573%0.734SS.*  trans100.4127.6164.800000118.3P195P195-G197 PolarHBondContact O-N 3.42Å
198T43.4Very low44Very low138 Ų138128.1 Ų128.185%0.84774%0.743SS**  trans97.282.5148.163.20000120.4
199V32.2Very low41.9Very low141 Ų141130.5 Ų130.586%0.85575%0.75SS**  -136110.1124.8-177.70000109.1
200R40.8Very low40.2Very low236 Ų236132.1 Ų132.189%0.89177%0.765SS**PPolyproline II helixtrans-83.7139.7158-68.8-177.5176.7-170.4-1.1108.2
201P32.8Very low39.1Very low125 Ų125136.5 Ų136.581%0.81278%0.782SS**PPolyproline II helixtrans-99.6141.1154.36.913.3000111
202N31.9Very low38.2Very low170 Ų170132.4 Ų132.491%0.90979%0.786SS**PPolyproline II helixtrans-58.7142.8-172.3-81.1-30.4000116.7
203G31.8Very low37.6Very low78 Ų78133.1 Ų133.180%0.80479%0.791SS**  89.3104.1113.500000119.4
204A31.7Very low37.6Very low106 Ų106130.3 Ų130.388%0.87679%0.792SS**  trans-152.613513600000109.8
205A33.9Very low37.7Very low88 Ų88135 Ų13573%0.72780%0.8SS**  trans-59.6165.9179.700000112.4
206N36.1Very low37.4Very low154 Ų154133.4 Ų133.482%0.82480%0.803SS**  cis-167.9-17434.9-131.7-0.8000108
207P55.6Low37.4Very low108 Ų108135.5 Ų135.570%0.70180%0.804SS**  trans-100.2179.6-149.331.5-11.4000113.2
208D32.4Very low37.1Very low140 Ų140139.4 Ų139.475%0.74982%0.822SS**  trans123.9142.8134.5-139.91.7000116.6
209L35.1Very low36.9Very low136 Ų136137 Ų13771%0.71282%0.817SS**  trans91.592.7159.6-54175000121
210S35.1Very low37.5Very low115 Ų115140.2 Ų140.280%0.80484%0.843SS**  96.5129.1108.870.70000120.5
211E39.5Very low37.4Very low202 Ų202135.5 Ų135.594%0.94484%0.84SS**  trans-54.2151169.4-62.6171.5117.200113.7
212G33.1Very low37.6Very low78 Ų78136 Ų13680%0.80484%0.842SS**  trans-167.887.4168.900000111.6
213S36.7Very low37.9Very low109 Ų109134.1 Ų134.176%0.76284%0.838SS**  trans-53.2132.7158.7150.10000110.3
214D40.9Very low38.3Very low152 Ų152137.4 Ų137.481%0.81384%0.84SS**  -159.3148.3124.9-127.6-24.5000115.9
215R41.3Very low38.7Very low235 Ų235139.4 Ų139.489%0.88784%0.838SS**  trans-77.5153.2177-65.6168.2168.9180-3.6110.3
216G34.7Very low39Very low70 Ų70142.8 Ų142.872%0.72285%0.845SS**  trans133.9118.413300000118.6
217K41.1Very low39.2Very low216 Ų216142 Ų14294%0.93985%0.847SS**  trans94.3128.6133-71.4-176.5176.2177.70120.3
218C38.8Very low38Very low130 Ų130144.6 Ų144.688%0.87886%0.858SS**  trans-79.3168168-167.10000111.4
219A39.3Very low38.4Very low89 Ų89145 Ų14574%0.73687%0.867SS**  trans86.6110.9170.300000116.6
220C45.6Very low38.7Very low208 Ų208145.8 Ų145.8100%1.40588%0.881SS**  -144.3085.2-73.30000109.5

Retrieved 220 of 220 residues in 274.5 ms (Link to these results)

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