A0A090KI70_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A090KI70, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 273 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
1S94.6Very high98.3Very high100 Ų10037.9 Ų37.970%0.69921%0.21SC*.  0163.1039.20000107.3V102S1-V102 WeakPolarHBondContact CA-O 3.47Å; S1-V102 VanDerWaalsContact CB-O 3.25Å; S1-V102 WeakPolarHBondContact CB-O 3.49Å
2H98.1Very high98.3Very high43 Ų4336 Ų3620%0.19920%0.201CC..EExtended strand (participates in β ladder)trans-138.3158.5-179.9-64.4-77.4000110.8D28 D101 V102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.24Å; H2-D28 WeakPolarHBondContact CA-OD1 3.42Å; H2-D28 IonicContact CE1-OD2 3.5Å; H2-D28 IonicContact CG-OD2 3.93Å; H2-D28 IonicContact ND1-OD1 2.66Å; H2-D28 IonicContact ND1-OD2 3.88Å; H2-D28 PolarHBondContact ND1-OD2 2.94Å; H2-D101 WeakPolarHBondContact O-CA 3.39Å; H2-V102 HydrophobicContact CB-CG2 4.07Å; H2-V102 PolarHBondContact N-O 2.78Å; H2-V102 PolarHBondContact O-N 3.36Å; H2-L167 HydrophobicContact CB-CD1 4.36Å; H2-L171 HydrophobicContact CB-CD1 3.7Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.33Å
3S98.5Very high98.1Very high25 Ų2538.7 Ų38.718%0.17521%0.207CC..EExtended strand (participates in β ladder)trans-133.1148.3178.664.20000111.1V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.46Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.07Å; S3-D28 PolarHBondContact N-OD1 2.95Å; S3-D28 PolarHBondContact O-N 2.96Å; S3-D28 PolarHBondContact OG-OD1 2.95Å; S3-C100 WeakPolarHBondContact CA-O 3.32Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å
4M98.8Very high97.9Very high1 Ų140.1 Ų40.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-121.9126.1165.1-174.5170.865.600108.2Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.27Å; M4-Y6 HydrophobicContact CG-CE2 4.29Å; M4-Y6 HydrophobicContact SD-CE2 4.22Å; M4-Y26 CarbonylContact C-O 3.5Å; M4-Y26 WeakPolarHBondContact CA-O 3.46Å; M4-V27 HydrophobicContact CG-CG2 4.34Å; M4-F32 HydrophobicContact CG-CE1 4.41Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.28Å; M4-C100 PolarHBondContact N-O 3.36Å; M4-C100 PolarHBondContact O-N 2.9Å; M4-C163 HydrophobicContact CE-CB 4.12Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 WeakPolarHBondContact CE-SG 3.34Å; M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.44Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.11Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.49Å; M4-L167 HydrophobicContact SD-CB 4.46Å; M4-Y170 HydrophobicContact SD-CD2 3.71Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å
5R98.8Very high97.6Very high46 Ų4643.3 Ų43.317%0.17427%0.265CS..EExtended strand (participates in β ladder)trans-132.5136.4-177.6-57.4-62.3179.578.75.2110.8F7 G25 Y26 Y98 D101R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.58Å; R5-F7 HydrophobicContact CB-CZ 3.87Å; R5-F7 HydrophobicContact CG-CZ 4.49Å; R5-G25 CarbonylContact O-C 3.51Å; R5-G25 WeakPolarHBondContact O-CA 3.43Å; R5-Y26 PolarHBondContact N-O 2.92Å; R5-Y26 PolarHBondContact O-N 3.04Å; R5-Y98 WeakPolarHBondContact CA-O 3.37Å; R5-D101 IonicContact CZ-OD1 2.98Å; R5-D101 IonicContact NE-OD1 3.62Å; R5-D101 PolarHBondContact NE-OD1 3.2Å; R5-D101 IonicContact NH2-OD1 3.01Å; R5-D101 PolarHBondContact NH2-OD1 3.49Å; R5-D101 IonicContact NH2-OD2 3.63Å; R5-D101 PolarHBondContact NH2-OD2 3.13Å
6Y98.8Very high97.4Very high12 Ų1253.6 Ų53.65%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-109.7137.6166.5-71.9-91.8000109M4 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.27Å; M4-Y6 HydrophobicContact CG-CE2 4.29Å; M4-Y6 HydrophobicContact SD-CE2 4.22Å; Y6-V24 WeakPolarHBondContact CA-O 3.35Å; Y6-F32 HydrophobicContact CE1-CZ 4.14Å; Y6-F32 HydrophobicContact CE2-CZ 4.44Å; Y6-F32 AromaticContact CZ-CZ 3.78Å; Y6-V33 HydrophobicContact CE1-CG2 4.03Å; Y6-M97 WeakPolarHBondContact O-CA 3.42Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.41Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.49Å; Y6-Y98 AromaticContact CD2-CE2 3.86Å; Y6-Y98 HydrophobicContact CD2-CE2 3.86Å; Y6-Y98 AromaticContact CD2-CZ 3.89Å; Y6-Y98 HydrophobicContact CG-CE1 4.23Å; Y6-Y98 HydrophobicContact CG-CE2 4.24Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 3.48Å; Y6-Y98 PolarHBondContact O-N 3.08Å; Y6-Y98 VanDerWaalsContact O-N 3.12Å
7F98.9Very high97.1Very high86 Ų8653.9 Ų53.938%0.37732%0.315SS..EExtended strand (participates in β ladder)trans-121.8127.1175.5-56.3-95.5000108.2R5 A23 V24 Y26 M96 M97R5-F7 HydrophobicContact CB-CD2 4.39Å; R5-F7 HydrophobicContact CB-CE2 3.58Å; R5-F7 HydrophobicContact CB-CZ 3.87Å; R5-F7 HydrophobicContact CG-CZ 4.49Å; F7-A23 CarbonylContact O-C 3.59Å; F7-A23 WeakPolarHBondContact O-CA 3.23Å; F7-V24 HydrophobicContact CB-CG2 3.87Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 3.49Å; F7-V24 PolarHBondContact O-N 3.17Å; F7-Y26 HydrophobicContact CD2-CD2 4.04Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; F7-M96 WeakPolarHBondContact CA-O 3.42Å; F7-M97 HydrophobicContact CD1-CB 4.01Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.16Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 4.04Å
8T98.8Very high97Very high6 Ų656.1 Ų56.14%0.03732%0.322CS..EExtended strand (participates in β ladder)trans-117.8146.1172.771.10000110.2F21 I22 A23 Q95 M96T8-F21 HydrophobicContact CG2-CE2 4.13Å; T8-F21 HydrophobicContact CG2-CZ 3.68Å; T8-I22 CarbonylContact C-O 3.57Å; T8-I22 VanDerWaalsContact CA-O 3.28Å; T8-I22 WeakPolarHBondContact CA-O 3.45Å; T8-A23 HydrophobicContact CG2-CB 3.98Å; T8-Q95 VanDerWaalsContact O-CA 3.3Å; T8-Q95 WeakPolarHBondContact O-CA 3.18Å; T8-M96 HydrophobicContact CG2-CE 3.8Å; T8-M96 PolarHBondContact N-O 3.13Å; T8-M96 PolarHBondContact O-N 3.44Å; T8-M96 WeakPolarHBondContact OG1-CB 3.21Å
9T98.8Very high97Very high44 Ų4454.5 Ų54.527%0.2731%0.314SS..EExtended strand (participates in β ladder)trans-137.6122.7174.9-56.10000109V11 F21 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 3.91Å; T9-F21 WeakPolarHBondContact O-CA 3.19Å; T9-I22 PolarHBondContact N-O 3.21Å; T9-I22 PolarHBondContact O-N 3.04Å; T9-T93 HydrophobicContact CG2-CG2 3.92Å; T9-I94 WeakPolarHBondContact CA-O 3.2Å; T9-Q95 HydrophobicContact CG2-CG 4.22Å
10S98.7Very high97.1Very high2 Ų256.2 Ų56.21%0.01432%0.315CS..EExtended strand (participates in β ladder)trans-113.9121.2174.1-82.40000110.4R20 F21 D73 T93 I94S10-R20 CarbonylContact C-O 3.58Å; S10-R20 WeakPolarHBondContact CA-O 3.3Å; S10-F21 VanDerWaalsContact OG-CD2 3.24Å; S10-F21 WeakPolarHBondContact OG-CD2 3.22Å; S10-D73 WeakPolarHBondContact CB-OD2 3.22Å; S10-D73 WeakPolarHBondContact OG-CB 3.44Å; S10-D73 VanDerWaalsContact OG-CG 3.29Å; S10-D73 PolarHBondContact OG-OD2 2.84Å; S10-T93 CarbonylContact O-C 3.6Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.36Å; S10-I94 PolarHBondContact N-O 3.39Å; S10-I94 PolarHBondContact O-N 3.4Å
11V98.6Very high97.1Very high52 Ų5253.7 Ų53.732%0.31530%0.301SS..EExtended strand (participates in β ladder)trans-119.1113.6-179.5-172.10000109.8T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 3.91Å; V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.46Å; V11-R20 PolarHBondContact N-O 2.87Å; V11-R20 PolarHBondContact O-N 2.95Å; V11-T93 HydrophobicContact CG2-CG2 4.2Å
12S98.1Very high97.3Very high15 Ų1551.2 Ų51.211%0.10528%0.279CS..  trans-70144.717378.30000110.5S91 H92S12-S91 WeakPolarHBondContact O-CB 3.39Å; S12-S91 PolarHBondContact O-OG 2.96Å; S12-H92 PolarHBondContact N-O 2.82Å; S12-H92 PolarHBondContact OG-N 2.88Å; S12-H92 PolarHBondContact OG-O 2.82Å
13R96.6Very high97.4Very high71 Ų7149.3 Ų49.327%0.26827%0.271SS..  trans-139.872.6-177.952.6175.9175.4-161-8.1111.3G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.16Å; R13-R16 HydrophobicContact CB-CB 4.14Å; R13-R16 WeakPolarHBondContact CD-O 3.36Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 2.84Å; R13-R16 PolarHBondContact O-N 2.61Å; R13-E18 PolarHBondContact NE-O 3.38Å; R13-E18 PolarHBondContact NH2-O 3.17Å; R13-D38 IonicContact CZ-OD1 3.37Å; R13-D38 IonicContact CZ-OD2 3.51Å; R13-D38 IonicContact NH1-OD1 3.45Å; R13-D38 PolarHBondContact NH1-OD1 2.9Å; R13-D38 IonicContact NH1-OD2 3.42Å; R13-D38 PolarHBondContact NH1-OD2 2.9Å; R13-D38 IonicContact NH2-OD1 2.73Å; R13-D38 PolarHBondContact NH2-OD1 3.34Å; R13-D38 IonicContact NH2-OD2 2.75Å
14P94.1Very high97.4Very high58 Ų5849.5 Ų49.538%0.37727%0.271SS..THydrogen-bonded Turntrans-49.4131.1-177-26.834.5000112.4R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.27Å; P14-R16 PolarHBondContact O-N 3.49Å; P14-E88 WeakPolarHBondContact CB-O 3.46Å; P14-E88 WeakPolarHBondContact CG-O 3.35Å; P14-G90 VanDerWaalsContact CG-O 3.24Å; P14-G90 WeakPolarHBondContact CG-O 3.4Å
15G93.4Very high97.4Very high89 Ų8949.4 Ų49.492%0.91827%0.271SS*.THydrogen-bonded Turntrans76.41.9-177.300000115.7R13R13-G15 PolarHBondContact O-N 3.16Å
16R94.6Very high97.4Very high208 Ų20850.5 Ų50.579%0.78528%0.275SS*.SBendtrans-125.524.9179.2-58.6-173.9-179.7-175.40.6113.6R13 P14R13-R16 HydrophobicContact CB-CB 4.14Å; R13-R16 WeakPolarHBondContact CD-O 3.36Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 2.84Å; R13-R16 PolarHBondContact O-N 2.61Å; P14-R16 VanDerWaalsContact C-N 3.27Å; P14-R16 PolarHBondContact O-N 3.49Å
17G92.6Very high97.4Very high58 Ų5850 Ų5060%0.59827%0.273SS*.SBendtrans93.4-162.7179.800000113.6
18E94.6Very high97.3Very high93 Ų9347.3 Ų47.344%0.43526%0.263SS..SBendtrans-68.9155.9-178.1-63.5-57.316000112.6R13 R20 R74R13-E18 PolarHBondContact NE-O 3.38Å; R13-E18 PolarHBondContact NH2-O 3.17Å; E18-R20 PolarHBondContact O-N 2.96Å; E18-R74 VanDerWaalsContact CD-NH1 3.28Å; E18-R74 IonicContact OE1-CZ 2.77Å; E18-R74 IonicContact OE1-NE 3.56Å; E18-R74 IonicContact OE1-NH1 3.78Å; E18-R74 PolarHBondContact OE1-NH1 2.94Å; E18-R74 IonicContact OE1-NH2 3.34Å; E18-R74 PolarHBondContact OE1-NH2 2.7Å; E18-R74 WeakPolarHBondContact OE2-CD 3.39Å; E18-R74 IonicContact OE2-CZ 3.58Å; E18-R74 IonicContact OE2-NE 3.13Å; E18-R74 PolarHBondContact OE2-NE 2.83Å; E18-R74 IonicContact OE2-NH1 3.61Å; E18-R74 PolarHBondContact OE2-NH1 3.46Å; E18-R74 IonicContact OE2-NH2 3.59Å; E18-R74 PolarHBondContact OE2-NH2 2.81Å
19P97.4Very high97.3Very high27 Ų2750.1 Ų50.118%0.17528%0.278CS..PPolyproline II helixtrans-50.8137.1172.8-25.734.8000112V11 R74 L77V11-P19 CarbonylContact O-C 3.52Å; V11-P19 WeakPolarHBondContact O-CA 3.46Å; P19-R74 HydrophobicContact CG-CB 4.45Å; P19-R74 HydrophobicContact CG-CG 4.25Å; P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.61Å
20R98.4Very high97.2Very high88 Ų8849.4 Ų49.433%0.33227%0.273SS..EExtended strand (participates in β ladder)trans-80.4128.5173-175.8-178.3-176.9-178.2-0.5108.7S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.58Å; S10-R20 WeakPolarHBondContact CA-O 3.3Å; V11-R20 PolarHBondContact N-O 2.87Å; V11-R20 PolarHBondContact O-N 2.95Å; E18-R20 PolarHBondContact O-N 2.96Å; R20-I22 HydrophobicContact CG-CG1 4.34Å; R20-D36 IonicContact CZ-OD1 2.93Å; R20-D36 IonicContact CZ-OD2 2.84Å; R20-D36 IonicContact NE-OD1 3.78Å; R20-D36 PolarHBondContact NE-OD1 2.72Å; R20-D36 IonicContact NE-OD2 3.34Å; R20-D36 IonicContact NH2-OD1 3.97Å; R20-D36 PolarHBondContact NH2-OD1 3.23Å; R20-D36 IonicContact NH2-OD2 3.06Å; R20-D36 PolarHBondContact NH2-OD2 2.67Å; R20-S37 WeakPolarHBondContact CA-OG 3.45Å; R20-D38 VanDerWaalsContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CD-OD2 3.4Å; R20-D38 HydrophobicContact CG-CB 4.46Å; R20-D38 IonicContact NE-OD2 2.73Å
21F98.7Very high97.2Very high3 Ų352 Ų521%0.01329%0.285CS..EExtended strand (participates in β ladder)trans-111.3127.1176.9179.8-92.5000110.3T8 T9 S10 A23 F35 S37 V66 H69 D73T8-F21 HydrophobicContact CG2-CE2 4.13Å; T8-F21 HydrophobicContact CG2-CZ 3.68Å; T9-F21 WeakPolarHBondContact O-CA 3.19Å; S10-F21 VanDerWaalsContact OG-CD2 3.24Å; S10-F21 WeakPolarHBondContact OG-CD2 3.22Å; F21-A23 HydrophobicContact CE1-CB 3.67Å; F21-A23 HydrophobicContact CZ-CB 3.94Å; F21-F35 AromaticContact CD1-CD1 3.64Å; F21-F35 HydrophobicContact CD1-CD1 3.64Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CE1-CD1 4Å; F21-F35 HydrophobicContact CE1-CE1 4.43Å; F21-S37 PolarHBondContact N-OG 3.16Å; F21-S37 PolarHBondContact O-N 2.85Å; F21-S37 PolarHBondContact O-OG 2.88Å; F21-V66 HydrophobicContact CE1-CB 4.15Å; F21-H69 AromaticContact CE2-CD2 3.36Å; F21-H69 WeakPolarHBondContact CE2-CD2 3.39Å; F21-H69 AromaticContact CZ-CD2 3.46Å; F21-H69 VanDerWaalsContact CZ-CD2 3.46Å; F21-H69 WeakPolarHBondContact CZ-CD2 3.49Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.4Å
22I98.8Very high97.2Very high49 Ų4949.5 Ų49.525%0.25127%0.27SS..EExtended strand (participates in β ladder)trans-124.5134.3174.4-58.3174.3000107.8T8 T9 R20 V24 F35T8-I22 CarbonylContact C-O 3.57Å; T8-I22 VanDerWaalsContact CA-O 3.28Å; T8-I22 WeakPolarHBondContact CA-O 3.45Å; T9-I22 PolarHBondContact N-O 3.21Å; T9-I22 PolarHBondContact O-N 3.04Å; R20-I22 HydrophobicContact CG-CG1 4.34Å; I22-V24 HydrophobicContact CG2-CG1 4.45Å; I22-F35 WeakPolarHBondContact CA-O 3.37Å
23A98.8Very high97.2Very high3 Ų348.8 Ų48.83%0.02527%0.265CS..EExtended strand (participates in β ladder)trans-127.5140.5169.700000110.3F7 T8 F21 R34 F35 V66F7-A23 CarbonylContact O-C 3.59Å; F7-A23 WeakPolarHBondContact O-CA 3.23Å; T8-A23 HydrophobicContact CG2-CB 3.98Å; F21-A23 HydrophobicContact CE1-CB 3.67Å; F21-A23 HydrophobicContact CZ-CB 3.94Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.41Å; A23-F35 HydrophobicContact CB-CB 4.31Å; A23-F35 PolarHBondContact N-O 2.86Å; A23-F35 PolarHBondContact O-N 3Å; A23-V66 HydrophobicContact CB-CG1 4.17Å
24V98.9Very high97.3Very high28 Ų2849.7 Ų49.717%0.1727%0.268CS..EExtended strand (participates in β ladder)trans-135.7143.2173.9-63.40000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.35Å; F7-V24 HydrophobicContact CB-CG2 3.87Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 3.49Å; F7-V24 PolarHBondContact O-N 3.17Å; I22-V24 HydrophobicContact CG2-CG1 4.45Å; V24-Y26 HydrophobicContact CB-CE2 4.14Å; V24-Y26 HydrophobicContact CG2-CD2 4.32Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; V24-V33 WeakPolarHBondContact CA-O 3.3Å; V24-R34 HydrophobicContact CG1-CB 4.36Å; V24-R34 HydrophobicContact CG1-CG 4.17Å
25G98.8Very high97.5Very high0 Ų047 Ų470%025%0.251CS..EExtended strand (participates in β ladder)trans-117.2138.8176.600000110.7R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.51Å; R5-G25 WeakPolarHBondContact O-CA 3.43Å; G25-Q31 WeakPolarHBondContact O-CA 3.31Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 2.99Å; G25-V33 PolarHBondContact N-O 3.48Å; G25-V33 VanDerWaalsContact N-O 3.16Å
26Y98.8Very high97.8Very high69 Ų6943.5 Ų43.527%0.27121%0.211SC..EExtended strand (participates in β ladder)trans-125.5141.3178-77.7-101.3000110.8M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.5Å; M4-Y26 WeakPolarHBondContact CA-O 3.46Å; R5-Y26 PolarHBondContact N-O 2.92Å; R5-Y26 PolarHBondContact O-N 3.04Å; F7-Y26 HydrophobicContact CD2-CD2 4.04Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; V24-Y26 HydrophobicContact CB-CE2 4.14Å; V24-Y26 HydrophobicContact CG2-CD2 4.32Å; V24-Y26 HydrophobicContact CG2-CE2 3.82Å; Y26-T30 WeakPolarHBondContact CA-O 3.39Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 VanDerWaalsContact CD1-N 3.34Å; Y26-Q31 HydrophobicContact CD2-CG 4.43Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.36Å; Y26-Q31 HydrophobicContact CE2-CB 4.08Å; Y26-Q31 HydrophobicContact CE2-CG 3.94Å
27V98.7Very high97.9Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-109.8118.5155.5177.10000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.46Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.07Å; M4-V27 HydrophobicContact CG-CG2 4.34Å; V27-D29 PolarHBondContact O-N 2.7Å; V27-T30 PolarHBondContact N-O 3.01Å; V27-T30 WeakPolarHBondContact O-CB 3.37Å; V27-T30 PolarHBondContact O-N 2.68Å; V27-F32 HydrophobicContact CG2-CD1 4.08Å; V27-F32 HydrophobicContact CG2-CE1 4.12Å; V27-W50 HydrophobicContact CG2-CH2 3.95Å; V27-W50 HydrophobicContact CG2-CZ2 4.42Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.49Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.07Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å
28D97.8Very high98.2Very high31 Ų3135 Ų3517%0.16617%0.169CC..THydrogen-bonded Turntrans47.5-126.2-167.4-53.5-42.5000111H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.24Å; H2-D28 WeakPolarHBondContact CA-OD1 3.42Å; H2-D28 IonicContact CE1-OD2 3.5Å; H2-D28 IonicContact CG-OD2 3.93Å; H2-D28 IonicContact ND1-OD1 2.66Å; H2-D28 IonicContact ND1-OD2 3.88Å; H2-D28 PolarHBondContact ND1-OD2 2.94Å; S3-D28 PolarHBondContact N-OD1 2.95Å; S3-D28 PolarHBondContact O-N 2.96Å; S3-D28 PolarHBondContact OG-OD1 2.95Å; D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 3.18Å
29D97.4Very high98.3Very high65 Ų6532 Ų3235%0.34816%0.16SC..THydrogen-bonded Turntrans-89.314179.3-64.5-50.7000113.5V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.7Å; D29-Y208 HydrophobicContact CB-CE2 3.91Å; D29-P209 WeakPolarHBondContact OD2-CB 3.49Å; D29-A210 WeakPolarHBondContact OD2-CB 3.48Å; D29-A210 PolarHBondContact OD2-N 2.82Å; D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T97.9Very high98.2Very high29 Ų2936.3 Ų36.318%0.17820%0.198CC..EExtended strand (participates in β ladder)trans-112.7112-175.7-59.80000112.2Y26 V27 D28 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.39Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; V27-T30 PolarHBondContact N-O 3.01Å; V27-T30 WeakPolarHBondContact O-CB 3.37Å; V27-T30 PolarHBondContact O-N 2.68Å; D28-T30 VanDerWaalsContact C-N 3.29Å; D28-T30 PolarHBondContact O-N 3.18Å; T30-F32 PolarHBondContact O-N 2.79Å; T30-L178 HydrophobicContact CG2-CD2 3.98Å; T30-Y208 PolarHBondContact OG1-OH 2.98Å; T30-Y208 VanDerWaalsContact OG1-OH 3.09Å
31Q98.3Very high97.8Very high56 Ų5634.9 Ų34.926%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-67.3129.1173-168.2179.2-1.500110.3V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; G25-Q31 WeakPolarHBondContact O-CA 3.31Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 VanDerWaalsContact CD1-N 3.34Å; Y26-Q31 HydrophobicContact CD2-CG 4.43Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.36Å; Y26-Q31 HydrophobicContact CE2-CB 4.08Å; Y26-Q31 HydrophobicContact CE2-CG 3.94Å; Q31-V33 PolarHBondContact NE2-O 2.02Å; Q31-V33 VanDerWaalsContact NE2-O 3.15Å; Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.33Å
32F98.6Very high97.7Very high0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-118.6-22.3-179.974.5-83.9000114.3M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.41Å; M4-F32 HydrophobicContact SD-CZ 4.34Å; Y6-F32 HydrophobicContact CE1-CZ 4.14Å; Y6-F32 HydrophobicContact CE2-CZ 4.44Å; Y6-F32 AromaticContact CZ-CZ 3.78Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 2.99Å; V27-F32 HydrophobicContact CG2-CD1 4.08Å; V27-F32 HydrophobicContact CG2-CE1 4.12Å; T30-F32 PolarHBondContact O-N 2.79Å; F32-R47 PolarHBondContact O-N 3.49Å; F32-A48 HydrophobicContact CB-CB 4.1Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 4.02Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CZ3 4.09Å; F32-W50 AromaticContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CH2 3.42Å; F32-W50 VanDerWaalsContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CZ2 4.05Å; F32-W50 HydrophobicContact CG-CZ3 4.2Å; F32-I51 HydrophobicContact CD2-CB 4.47Å; F32-I51 HydrophobicContact CD2-CD1 4.05Å; F32-I51 HydrophobicContact CD2-CG1 4.09Å; F32-I51 HydrophobicContact CE2-CD1 4.38Å; F32-I51 WeakPolarHBondContact O-CG2 3.49Å; F32-Y170 HydrophobicContact CD2-CE2 4.47Å; F32-Y170 HydrophobicContact CE2-CD2 4.36Å; F32-Y170 AromaticContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å
33V98.7Very high97.7Very high0 Ų043.3 Ų43.30%023%0.234CC..EExtended strand (participates in β ladder)trans-141.5156.9177.1-720000113.2Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4.03Å; V24-V33 WeakPolarHBondContact CA-O 3.3Å; G25-V33 PolarHBondContact N-O 3.48Å; G25-V33 VanDerWaalsContact N-O 3.16Å; Q31-V33 PolarHBondContact NE2-O 2.02Å; Q31-V33 VanDerWaalsContact NE2-O 3.15Å; V33-M44 HydrophobicContact CB-CG 4.1Å; V33-M44 HydrophobicContact CB-SD 3.65Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.35Å; V33-M44 HydrophobicContact CG2-SD 4.04Å; V33-E45 VanDerWaalsContact CA-O 3.32Å; V33-E45 WeakPolarHBondContact CA-O 3.46Å; V33-I51 HydrophobicContact CG1-CG1 4.4Å; V33-W59 HydrophobicContact CG1-CH2 4.09Å; V33-W59 HydrophobicContact CG1-CZ3 3.87Å
34R98.6Very high97.7Very high89 Ų8943.6 Ų43.634%0.33623%0.234SC..EExtended strand (participates in β ladder)trans-146.3142.6171.6178.1172.1168179.9-2.4111.7A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.41Å; V24-R34 HydrophobicContact CG1-CB 4.36Å; V24-R34 HydrophobicContact CG1-CG 4.17Å; R34-D36 IonicContact NH2-OD2 2.77Å; R34-D36 PolarHBondContact NH2-OD2 2.89Å; R34-M44 VanDerWaalsContact C-SD 3.53Å; R34-E45 PolarHBondContact N-O 2.88Å; R34-E45 PolarHBondContact O-N 3.26Å; R34-R47 HydrophobicContact CB-CG 4Å
35F98.8Very high97.6Very high3 Ų345.1 Ų45.11%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-126.4145.3163.7178.4-85.5000110F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.64Å; F21-F35 HydrophobicContact CD1-CD1 3.64Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CE1-CD1 4Å; F21-F35 HydrophobicContact CE1-CE1 4.43Å; I22-F35 WeakPolarHBondContact CA-O 3.37Å; A23-F35 HydrophobicContact CB-CB 4.31Å; A23-F35 PolarHBondContact N-O 2.86Å; A23-F35 PolarHBondContact O-N 3Å; F35-Q42 VanDerWaalsContact CE2-C 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.25Å; F35-Q42 WeakPolarHBondContact CE2-O 3.02Å; F35-Q42 HydrophobicContact CZ-CB 4.22Å; F35-R43 WeakPolarHBondContact CD2-O 2.92Å; F35-M44 HydrophobicContact CB-CE 4.27Å; F35-M44 HydrophobicContact CB-SD 4.04Å; F35-V66 HydrophobicContact CB-CB 4.44Å; F35-V66 HydrophobicContact CB-CG2 3.95Å; F35-V66 HydrophobicContact CD1-CB 4.42Å; F35-V66 HydrophobicContact CD1-CG2 4.12Å; F35-V66 HydrophobicContact CD2-CB 4.39Å; F35-V66 HydrophobicContact CD2-CG2 3.3Å; F35-V66 HydrophobicContact CE1-CG2 4.48Å; F35-V66 HydrophobicContact CE2-CG2 3.72Å; F35-V66 HydrophobicContact CG-CB 4.17Å; F35-V66 HydrophobicContact CG-CG2 3.52Å; F35-V66 HydrophobicContact CZ-CG2 4.3Å; F35-K67 HydrophobicContact CE2-CG 4.1Å; F35-K67 HydrophobicContact CZ-CG 3.96Å
36D98.6Very high97.6Very high14 Ų1447.4 Ų47.48%0.07525%0.254CS..EExtended strand (participates in β ladder)trans-141.8120.2174.6-164.8-26.9000109.2R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 2.93Å; R20-D36 IonicContact CZ-OD2 2.84Å; R20-D36 IonicContact NE-OD1 3.78Å; R20-D36 PolarHBondContact NE-OD1 2.72Å; R20-D36 IonicContact NE-OD2 3.34Å; R20-D36 IonicContact NH2-OD1 3.97Å; R20-D36 PolarHBondContact NH2-OD1 3.23Å; R20-D36 IonicContact NH2-OD2 3.06Å; R20-D36 PolarHBondContact NH2-OD2 2.67Å; R34-D36 IonicContact NH2-OD2 2.77Å; R34-D36 PolarHBondContact NH2-OD2 2.89Å; D36-D38 PolarHBondContact O-N 2.79Å; D36-D38 PolarHBondContact OD1-N 3.01Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å; D36-A39 HydrophobicContact CB-CB 4.19Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 3.43Å; D36-A39 VanDerWaalsContact O-N 3.12Å
37S98.1Very high97.6Very high17 Ų1749.3 Ų49.312%0.11926%0.261CS..THydrogen-bonded Turntrans-66-21.3-179.366.80000113R20 F21 A39 Q42R20-S37 WeakPolarHBondContact CA-OG 3.45Å; F21-S37 PolarHBondContact N-OG 3.16Å; F21-S37 PolarHBondContact O-N 2.85Å; F21-S37 PolarHBondContact O-OG 2.88Å; S37-A39 VanDerWaalsContact C-N 3.34Å; S37-Q42 PolarHBondContact O-NE2 3.02Å
38D97.5Very high97.5Very high71 Ų7149.5 Ų49.538%0.3826%0.263SS..THydrogen-bonded Turntrans-86.7-6.1177.7-75.72.8000112.5R13 R20 D36R13-D38 IonicContact CZ-OD1 3.37Å; R13-D38 IonicContact CZ-OD2 3.51Å; R13-D38 IonicContact NH1-OD1 3.45Å; R13-D38 PolarHBondContact NH1-OD1 2.9Å; R13-D38 IonicContact NH1-OD2 3.42Å; R13-D38 PolarHBondContact NH1-OD2 2.9Å; R13-D38 IonicContact NH2-OD1 2.73Å; R13-D38 PolarHBondContact NH2-OD1 3.34Å; R13-D38 IonicContact NH2-OD2 2.75Å; R20-D38 VanDerWaalsContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CD-OD2 3.4Å; R20-D38 HydrophobicContact CG-CB 4.46Å; R20-D38 IonicContact NE-OD2 2.73Å; D36-D38 PolarHBondContact O-N 2.79Å; D36-D38 PolarHBondContact OD1-N 3.01Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å
39A96.8Very high97.5Very high31 Ų3153 Ų5326%0.25629%0.287SS..SBendtrans-70.6147.6174.900000111.3D36 S37 S41 Q42D36-A39 HydrophobicContact CB-CB 4.19Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 3.43Å; D36-A39 VanDerWaalsContact O-N 3.12Å; S37-A39 VanDerWaalsContact C-N 3.34Å; A39-S41 VanDerWaalsContact C-N 3.32Å; A39-S41 PolarHBondContact O-N 3.27Å; A39-Q42 WeakPolarHBondContact O-CG 3.48Å; A39-Q42 PolarHBondContact O-N 3.07Å
40A95.2Very high97.5Very high117 Ų11750.7 Ų50.797%0.96727%0.273SS*.SBendtrans-63-35.3-178.600000113.6
41S91.5Very high97.5Very high58 Ų5849.3 Ų49.341%0.40627%0.265SS..SBendtrans-83.1-28-179.258.10000112.9A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.32Å; A39-S41 PolarHBondContact O-N 3.27Å; S41-R43 VanDerWaalsContact C-N 3.35Å; S41-R43 WeakPolarHBondContact O-CG 3.47Å; S41-R43 PolarHBondContact O-N 2.89Å; S41-E45 PolarHBondContact OG-OE1 2.89Å
42Q96.1Very high97.4Very high82 Ų8252.6 Ų52.638%0.38328%0.28SS..  trans41.158.7-170.9-58.2-177.4-15.400112F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.25Å; F35-Q42 WeakPolarHBondContact CE2-O 3.02Å; F35-Q42 HydrophobicContact CZ-CB 4.22Å; S37-Q42 PolarHBondContact O-NE2 3.02Å; A39-Q42 WeakPolarHBondContact O-CG 3.48Å; A39-Q42 PolarHBondContact O-N 3.07Å; Q42-K67 WeakPolarHBondContact O-CE 3.16Å; Q42-K67 PolarHBondContact O-NZ 2.77Å; Q42-K67 VanDerWaalsContact O-NZ 3.12Å
43R97.9Very high97.3Very high147 Ų14758.2 Ų58.256%0.55531%0.306SS*.  trans-122.6157.2177.1-68-171.3177.4-149.2-3.6110.8F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 2.92Å; S41-R43 VanDerWaalsContact C-N 3.35Å; S41-R43 WeakPolarHBondContact O-CG 3.47Å; S41-R43 PolarHBondContact O-N 2.89Å; R43-E45 PolarHBondContact O-N 3.37Å; R43-T63 HydrophobicContact CB-CG2 4.47Å; R43-T63 HydrophobicContact CG-CG2 4.34Å
44M98.4Very high97.2Very high8 Ų858.8 Ų58.84%0.03931%0.309CS..  trans-69123.8164.5-172.363.682.700108.2V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.1Å; V33-M44 HydrophobicContact CB-SD 3.65Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.35Å; V33-M44 HydrophobicContact CG2-SD 4.04Å; R34-M44 VanDerWaalsContact C-SD 3.53Å; F35-M44 HydrophobicContact CB-CE 4.27Å; F35-M44 HydrophobicContact CB-SD 4.04Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.16Å; M44-W59 HydrophobicContact CG-CZ3 4.02Å; M44-E62 HydrophobicContact CB-CB 4.09Å; M44-E62 HydrophobicContact CE-CB 4.45Å; M44-E62 HydrophobicContact CG-CB 4.07Å; M44-T63 PolarHBondContact N-OG1 2.7Å; M44-V66 HydrophobicContact CE-CB 4.36Å; M44-V66 HydrophobicContact CE-CG1 3.38Å; M44-V66 HydrophobicContact CE-CG2 4.13Å
45E98.3Very high97.1Very high61 Ų6163.5 Ų63.529%0.28533%0.327SS..EExtended strand (participates in β ladder)trans-113.1139.6-174.6-66179172.300110.8V33 R34 S41 R43 R47V33-E45 VanDerWaalsContact CA-O 3.32Å; V33-E45 WeakPolarHBondContact CA-O 3.46Å; R34-E45 PolarHBondContact N-O 2.88Å; R34-E45 PolarHBondContact O-N 3.26Å; S41-E45 PolarHBondContact OG-OE1 2.89Å; R43-E45 PolarHBondContact O-N 3.37Å; E45-R47 IonicContact OE2-CZ 3.55Å; E45-R47 IonicContact OE2-NH1 3.38Å; E45-R47 IonicContact OE2-NH2 2.89Å; E45-R47 PolarHBondContact OE2-NH2 3.26Å
46P98.3Very high97Very high47 Ų4767.4 Ų67.431%0.30535%0.353SS..EExtended strand (participates in β ladder)trans-66.4145.8173.228.1-33.8000111.3I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.75Å; P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.11Å; P46-W59 HydrophobicContact CB-CH2 3.61Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.43Å; P46-W59 HydrophobicContact CG-CH2 4.23Å; P46-W59 HydrophobicContact CG-CZ2 4.44Å
47R97.9Very high97Very high110 Ų11072.6 Ų72.642%0.41538%0.377SS..  trans-128.9-1.8173.2-61.6-63.5178.2-135.6-5.3113.7Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.14Å; Q31-R47 HydrophobicContact CG-CG 4.33Å; F32-R47 PolarHBondContact O-N 3.49Å; R34-R47 HydrophobicContact CB-CG 4Å; E45-R47 IonicContact OE2-CZ 3.55Å; E45-R47 IonicContact OE2-NH1 3.38Å; E45-R47 IonicContact OE2-NH2 2.89Å; E45-R47 PolarHBondContact OE2-NH2 3.26Å
48A97.1Very high97Very high4 Ų472.7 Ų72.73%0.03337%0.374CS..SBendtrans-135.5144.8173.600000110.8F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.1Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.05Å; A48-W50 PolarHBondContact O-N 3.25Å; A48-I51 WeakPolarHBondContact O-CG2 3.21Å; A48-I51 PolarHBondContact O-N 2.96Å
49P97.1Very high97Very high103 Ų10371.1 Ų71.167%0.66936%0.363SS*.G310 helixtrans-59.9-36.9-177.5-26.134.9000113.9I51 E52P49-I51 PolarHBondContact O-N 3.31Å; P49-E52 WeakPolarHBondContact O-CB 3.33Å; P49-E52 PolarHBondContact O-N 2.81Å; P49-E52 VanDerWaalsContact O-N 3.13Å
50W97.1Very high97.1Very high17 Ų1773.5 Ų73.56%0.06437%0.372CS..G310 helixtrans-70-15-175.354-106.1000114.4V27 F32 A48 Q53 Y170 L178V27-W50 HydrophobicContact CG2-CH2 3.95Å; V27-W50 HydrophobicContact CG2-CZ2 4.42Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 4.02Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CZ3 4.09Å; F32-W50 AromaticContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CH2 3.42Å; F32-W50 VanDerWaalsContact CG-CH2 3.42Å; F32-W50 HydrophobicContact CG-CZ2 4.05Å; F32-W50 HydrophobicContact CG-CZ3 4.2Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.2Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.05Å; A48-W50 PolarHBondContact O-N 3.25Å; W50-Q53 WeakPolarHBondContact O-CG 3.4Å; W50-Q53 PolarHBondContact O-NE2 3.46Å; W50-Y170 HydrophobicContact CE3-CD1 4.32Å; W50-Y170 HydrophobicContact CE3-CG 4.49Å; W50-Y170 HydrophobicContact CH2-CD2 4.37Å; W50-Y170 HydrophobicContact CH2-CG 4.05Å; W50-Y170 AromaticContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD2 4.21Å; W50-Y170 HydrophobicContact CZ3-CE1 4.34Å; W50-Y170 AromaticContact CZ3-CG 3.55Å; W50-Y170 HydrophobicContact CZ3-CG 3.55Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.36Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4.12Å; W50-L178 HydrophobicContact CZ2-CG 4.38Å
51I98Very high97.2Very high0 Ų071.6 Ų71.60%034%0.343CS..G310 helixtrans-88.8-19.7174-16472.2000111.8F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.47Å; F32-I51 HydrophobicContact CD2-CD1 4.05Å; F32-I51 HydrophobicContact CD2-CG1 4.09Å; F32-I51 HydrophobicContact CE2-CD1 4.38Å; F32-I51 WeakPolarHBondContact O-CG2 3.49Å; V33-I51 HydrophobicContact CG1-CG1 4.4Å; P46-I51 HydrophobicContact CB-CG2 3.75Å; A48-I51 WeakPolarHBondContact O-CG2 3.21Å; A48-I51 PolarHBondContact O-N 2.96Å; P49-I51 PolarHBondContact O-N 3.31Å; I51-Q53 PolarHBondContact O-N 2.87Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.61Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.25Å; I51-E54 WeakPolarHBondContact O-CG 3.37Å; I51-E54 PolarHBondContact O-N 3.03Å; I51-Y58 HydrophobicContact CD1-CE1 4.11Å; I51-Y58 HydrophobicContact CG1-CE1 4.14Å; I51-W59 HydrophobicContact CB-CH2 4.41Å; I51-W59 HydrophobicContact CG1-CH2 3.73Å; I51-W59 HydrophobicContact CG1-CZ2 3.98Å; I51-W59 HydrophobicContact CG2-CH2 3.91Å; I51-W59 HydrophobicContact CG2-CZ2 4.32Å; I51-W59 WeakPolarHBondContact O-CZ2 3.32Å; I51-Y170 HydrophobicContact CD1-CD1 3.9Å; I51-Y170 HydrophobicContact CD1-CE1 3.29Å
52E97Very high97.6Very high125 Ų12570.3 Ų70.358%0.58433%0.33SS*.THydrogen-bonded Turntrans-63.5-23.1-176.8-64.7-178.4-17300113.4P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.11Å; P49-E52 WeakPolarHBondContact O-CB 3.33Å; P49-E52 PolarHBondContact O-N 2.81Å; P49-E52 VanDerWaalsContact O-N 3.13Å; E52-E54 PolarHBondContact O-N 3.19Å
53Q95.8Very high97.7Very high118 Ų11867 Ų6755%0.55132%0.316SS*.THydrogen-bonded Turntrans-71.7-11.3175.569.5-173.7-34.700114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.4Å; W50-Q53 PolarHBondContact O-NE2 3.46Å; I51-Q53 PolarHBondContact O-N 2.87Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-N173 PolarHBondContact NE2-ND2 2.86Å
54E97.4Very high97.7Very high12 Ų1267 Ų676%0.05632%0.316CS..SBendtrans-64.2141.7176.9-67.6-58.5161.500111.3I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.61Å; I51-E54 HydrophobicContact CG1-CG 4.14Å; I51-E54 WeakPolarHBondContact O-CB 3.25Å; I51-E54 WeakPolarHBondContact O-CG 3.37Å; I51-E54 PolarHBondContact O-N 3.03Å; E52-E54 PolarHBondContact O-N 3.19Å; E54-Y58 HydrophobicContact CB-CD1 3.61Å; E54-Y58 HydrophobicContact CB-CE1 4.28Å; E54-Y58 HydrophobicContact CB-CG 3.82Å; E54-Y58 HydrophobicContact CG-CD1 4.03Å; E54-Y58 HydrophobicContact CG-CE1 4.29Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; E54-W59 PolarHBondContact O-NE1 2.99Å; E54-R169 VanDerWaalsContact CD-NH2 3.34Å; E54-R169 IonicContact OE1-CZ 2.72Å; E54-R169 IonicContact OE1-NE 3.62Å; E54-R169 PolarHBondContact OE1-NE 3.15Å; E54-R169 IonicContact OE1-NH2 3.69Å; E54-R169 PolarHBondContact OE1-NH2 3.34Å; E54-R169 VanDerWaalsContact OE1-NH2 3.13Å; E54-R169 IonicContact OE2-CZ 3Å; E54-R169 IonicContact OE2-NE 2.7Å; E54-R169 IonicContact OE2-NH2 2.68Å; E54-R169 PolarHBondContact OE2-NH2 2.9Å; E54-N173 PolarHBondContact OE1-ND2 2.83Å
55R96.6Very high97.6Very high188 Ų18870 Ų7071%0.70933%0.332SS*.  trans-69.6158.4-173.9-58.4-174.1176.9-177.8-0.2111.5E57 Y58R55-E57 WeakPolarHBondContact CB-OE2 3.34Å; R55-E57 PolarHBondContact O-N 2.91Å; R55-Y58 VanDerWaalsContact O-CB 3.32Å; R55-Y58 WeakPolarHBondContact O-CB 3.43Å; R55-Y58 PolarHBondContact O-N 3.29Å
56P97.3Very high97.6Very high85 Ų8567.8 Ų67.855%0.55232%0.323SS*.Hα-helixtrans-51.2-34178.7-2937000114.3Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.16Å; P56-W59 PolarHBondContact O-N 3.25Å; P56-D60 PolarHBondContact O-N 2.97Å
57E97.9Very high97.6Very high124 Ų12469.3 Ų69.358%0.57932%0.324SS*.Hα-helixtrans-63-32.8179.5-59.180.1-173.900112.8R55 Q61R55-E57 WeakPolarHBondContact CB-OE2 3.34Å; R55-E57 PolarHBondContact O-N 2.91Å; E57-Q61 VanDerWaalsContact O-CB 3.25Å; E57-Q61 WeakPolarHBondContact O-CB 3.13Å; E57-Q61 PolarHBondContact O-N 3.06Å
58Y97.9Very high97.6Very high18 Ų1866.7 Ų66.77%0.07133%0.326CS..Hα-helixtrans-62.5-52.4173.5170.8-94.6000110.1I51 E54 R55 P56 D60 Q61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.11Å; I51-Y58 HydrophobicContact CG1-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CD1 3.61Å; E54-Y58 HydrophobicContact CB-CE1 4.28Å; E54-Y58 HydrophobicContact CB-CG 3.82Å; E54-Y58 HydrophobicContact CG-CD1 4.03Å; E54-Y58 HydrophobicContact CG-CE1 4.29Å; E54-Y58 HydrophobicContact CG-CG 4.16Å; R55-Y58 VanDerWaalsContact O-CB 3.32Å; R55-Y58 WeakPolarHBondContact O-CB 3.43Å; R55-Y58 PolarHBondContact O-N 3.29Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 3.16Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 2.69Å; Y58-Q61 PolarHBondContact O-N 2.72Å; Y58-E62 HydrophobicContact CD1-CG 4.34Å; Y58-E62 HydrophobicContact CD2-CG 4.16Å; Y58-E62 HydrophobicContact CE1-CG 3.97Å; Y58-E62 HydrophobicContact CE2-CG 3.78Å; Y58-E62 HydrophobicContact CG-CG 4.43Å; Y58-E62 WeakPolarHBondContact O-CB 3.29Å; Y58-E62 WeakPolarHBondContact O-CG 3.46Å; Y58-E62 PolarHBondContact O-N 3.09Å; Y58-W166 AromaticContact CD2-CH2 3.45Å; Y58-W166 HydrophobicContact CD2-CH2 3.45Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.45Å; Y58-W166 HydrophobicContact CD2-CZ2 4.01Å; Y58-W166 AromaticContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.78Å; Y58-W166 HydrophobicContact CE2-CH2 3.78Å; Y58-W166 HydrophobicContact CE2-CZ2 4.24Å; Y58-W166 AromaticContact CE2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CZ3 3.85Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.27Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.46Å; Y58-Y170 PolarHBondContact OH-OH 2.59Å
59W98.4Very high97.6Very high39 Ų3968.7 Ų68.715%0.14834%0.335CS..Hα-helixtrans-63.2-38.5-178.7-61.8108.8000112.8V33 M44 P46 I51 E54 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.09Å; V33-W59 HydrophobicContact CG1-CZ3 3.87Å; M44-W59 HydrophobicContact CB-CE3 4.27Å; M44-W59 HydrophobicContact CG-CE3 4.16Å; M44-W59 HydrophobicContact CG-CZ3 4.02Å; P46-W59 HydrophobicContact CB-CH2 3.61Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.43Å; P46-W59 HydrophobicContact CG-CH2 4.23Å; P46-W59 HydrophobicContact CG-CZ2 4.44Å; I51-W59 HydrophobicContact CB-CH2 4.41Å; I51-W59 HydrophobicContact CG1-CH2 3.73Å; I51-W59 HydrophobicContact CG1-CZ2 3.98Å; I51-W59 HydrophobicContact CG2-CH2 3.91Å; I51-W59 HydrophobicContact CG2-CZ2 4.32Å; I51-W59 WeakPolarHBondContact O-CZ2 3.32Å; E54-W59 PolarHBondContact O-NE1 2.99Å; P56-W59 PolarHBondContact O-N 3.25Å; W59-T63 WeakPolarHBondContact O-CB 3.18Å; W59-T63 PolarHBondContact O-N 3.29Å; W59-T63 PolarHBondContact O-OG1 3.32Å
60D98.2Very high97.6Very high81 Ų8164.5 Ų64.543%0.43331%0.308SS..Hα-helixtrans-69.2-37.8176.4-75.2-20.4000112.1P56 Y58 R64P56-D60 PolarHBondContact O-N 2.97Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 2.69Å; D60-R64 WeakPolarHBondContact O-CB 3.27Å; D60-R64 VanDerWaalsContact O-CG 3.32Å; D60-R64 WeakPolarHBondContact O-CG 3.18Å; D60-R64 PolarHBondContact O-N 3.32Å; D60-R64 VanDerWaalsContact O-N 3.14Å; D60-R64 PolarHBondContact O-NE 2.87Å
61Q97.9Very high97.6Very high76 Ų7668.6 Ų68.636%0.35533%0.328SS..Hα-helixtrans-68.6-49175.1-175.362.253.700111.2E57 Y58 T63 R64 N65E57-Q61 VanDerWaalsContact O-CB 3.25Å; E57-Q61 WeakPolarHBondContact O-CB 3.13Å; E57-Q61 PolarHBondContact O-N 3.06Å; Y58-Q61 PolarHBondContact O-N 2.72Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 2.99Å; Q61-R64 PolarHBondContact O-N 3.29Å; Q61-R64 VanDerWaalsContact O-N 3.15Å; Q61-N65 PolarHBondContact NE2-OD1 2.68Å; Q61-N65 PolarHBondContact O-N 2.84Å; Q61-N65 PolarHBondContact O-ND2 3.02Å; Q61-N65 PolarHBondContact O-OD1 3.39Å
62E98.1Very high97.6Very high31 Ų3173 Ų7315%0.14535%0.35CS..Hα-helixtrans-62.1-42.7179.7-71.5-54103.700111.4M44 Y58 R64 N65 V66M44-E62 HydrophobicContact CB-CB 4.09Å; M44-E62 HydrophobicContact CE-CB 4.45Å; M44-E62 HydrophobicContact CG-CB 4.07Å; Y58-E62 HydrophobicContact CD1-CG 4.34Å; Y58-E62 HydrophobicContact CD2-CG 4.16Å; Y58-E62 HydrophobicContact CE1-CG 3.97Å; Y58-E62 HydrophobicContact CE2-CG 3.78Å; Y58-E62 HydrophobicContact CG-CG 4.43Å; Y58-E62 WeakPolarHBondContact O-CB 3.29Å; Y58-E62 WeakPolarHBondContact O-CG 3.46Å; Y58-E62 PolarHBondContact O-N 3.09Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.88Å; E62-N65 PolarHBondContact O-N 2.93Å; E62-N65 PolarHBondContact OE1-ND2 2.9Å; E62-V66 WeakPolarHBondContact O-CG2 3.19Å; E62-V66 PolarHBondContact O-N 3.27Å
63T98.5Very high97.6Very high13 Ų1367.3 Ų67.38%0.0832%0.324CS..Hα-helixtrans-60.5-41.9174.9-62.40000111.8R43 M44 W59 Q61 V66 K67R43-T63 HydrophobicContact CB-CG2 4.47Å; R43-T63 HydrophobicContact CG-CG2 4.34Å; M44-T63 PolarHBondContact N-OG1 2.7Å; W59-T63 WeakPolarHBondContact O-CB 3.18Å; W59-T63 PolarHBondContact O-N 3.29Å; W59-T63 PolarHBondContact O-OG1 3.32Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 2.99Å; T63-V66 WeakPolarHBondContact O-CG2 3.43Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CB 3.26Å; T63-K67 WeakPolarHBondContact O-CG 3.13Å; T63-K67 PolarHBondContact O-N 3.23Å; T63-K67 VanDerWaalsContact O-N 3.09Å
64R98.3Very high97.6Very high147 Ų14766.7 Ų66.756%0.55532%0.316SS*.Hα-helixtrans-64.9-42.6175.8-79.3-175.6-69.1139-1.1111.6D60 Q61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.27Å; D60-R64 VanDerWaalsContact O-CG 3.32Å; D60-R64 WeakPolarHBondContact O-CG 3.18Å; D60-R64 PolarHBondContact O-N 3.32Å; D60-R64 VanDerWaalsContact O-N 3.14Å; D60-R64 PolarHBondContact O-NE 2.87Å; Q61-R64 PolarHBondContact O-N 3.29Å; Q61-R64 VanDerWaalsContact O-N 3.15Å; E62-R64 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 2.88Å; R64-K67 PolarHBondContact O-N 2.99Å; R64-A68 WeakPolarHBondContact O-CB 3.3Å; R64-A68 PolarHBondContact O-N 2.89Å
65N97.1Very high97.6Very high72 Ų7270.5 Ų70.539%0.38534%0.341SS..Hα-helixtrans-60-51.5179.3-69-14.8000111.4Q61 E62 K67 A68 H69Q61-N65 PolarHBondContact NE2-OD1 2.68Å; Q61-N65 PolarHBondContact O-N 2.84Å; Q61-N65 PolarHBondContact O-ND2 3.02Å; Q61-N65 PolarHBondContact O-OD1 3.39Å; E62-N65 PolarHBondContact O-N 2.93Å; E62-N65 PolarHBondContact OE1-ND2 2.9Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.82Å; N65-A68 PolarHBondContact O-N 3.06Å; N65-H69 WeakPolarHBondContact O-CB 3.49Å; N65-H69 PolarHBondContact O-N 2.91Å
66V97.6Very high97.7Very high14 Ų1464.4 Ų64.49%0.08532%0.322CS..Hα-helixtrans-69.2-29.2179.7-67.40000113.5F21 A23 F35 M44 E62 T63 S70F21-V66 HydrophobicContact CE1-CB 4.15Å; A23-V66 HydrophobicContact CB-CG1 4.17Å; F35-V66 HydrophobicContact CB-CB 4.44Å; F35-V66 HydrophobicContact CB-CG2 3.95Å; F35-V66 HydrophobicContact CD1-CB 4.42Å; F35-V66 HydrophobicContact CD1-CG2 4.12Å; F35-V66 HydrophobicContact CD2-CB 4.39Å; F35-V66 HydrophobicContact CD2-CG2 3.3Å; F35-V66 HydrophobicContact CE1-CG2 4.48Å; F35-V66 HydrophobicContact CE2-CG2 3.72Å; F35-V66 HydrophobicContact CG-CB 4.17Å; F35-V66 HydrophobicContact CG-CG2 3.52Å; F35-V66 HydrophobicContact CZ-CG2 4.3Å; M44-V66 HydrophobicContact CE-CB 4.36Å; M44-V66 HydrophobicContact CE-CG1 3.38Å; M44-V66 HydrophobicContact CE-CG2 4.13Å; E62-V66 WeakPolarHBondContact O-CG2 3.19Å; E62-V66 PolarHBondContact O-N 3.27Å; T63-V66 WeakPolarHBondContact O-CG2 3.43Å; V66-S70 WeakPolarHBondContact O-CB 3.32Å; V66-S70 PolarHBondContact O-N 2.82Å
67K98Very high97.7Very high78 Ų7860.9 Ų60.934%0.33930%0.299SS..Hα-helixtrans-68.8-39.4171.1-77.5-174.6179.7-175.80112.4F35 Q42 T63 R64 N65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.1Å; F35-K67 HydrophobicContact CZ-CG 3.96Å; Q42-K67 WeakPolarHBondContact O-CE 3.16Å; Q42-K67 PolarHBondContact O-NZ 2.77Å; Q42-K67 VanDerWaalsContact O-NZ 3.12Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CB 3.26Å; T63-K67 WeakPolarHBondContact O-CG 3.13Å; T63-K67 PolarHBondContact O-N 3.23Å; T63-K67 VanDerWaalsContact O-N 3.09Å; R64-K67 PolarHBondContact O-N 2.99Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.82Å; K67-S70 PolarHBondContact O-OG 2.97Å; K67-Q71 WeakPolarHBondContact O-CG 3.11Å; K67-Q71 PolarHBondContact O-N 2.94Å
68A97.9Very high97.7Very high55 Ų5556.7 Ų56.746%0.45529%0.289SS..Hα-helixtrans-64.2-44.6174.400000110.7R64 N65 S70 Q71 I72R64-A68 WeakPolarHBondContact O-CB 3.3Å; R64-A68 PolarHBondContact O-N 2.89Å; N65-A68 PolarHBondContact O-N 3.06Å; A68-S70 PolarHBondContact O-N 3.16Å; A68-Q71 PolarHBondContact O-N 2.89Å; A68-I72 WeakPolarHBondContact O-CG1 3.45Å; A68-I72 PolarHBondContact O-N 3.17Å; A68-I72 VanDerWaalsContact O-N 3.14Å
69H97.1Very high97.7Very high46 Ų4658 Ų5821%0.21330%0.299CS..Hα-helixtrans-63.5-40178.2-169.987.6000112.4F21 N65 Q71 I72 D73 M96F21-H69 AromaticContact CE2-CD2 3.36Å; F21-H69 WeakPolarHBondContact CE2-CD2 3.39Å; F21-H69 AromaticContact CZ-CD2 3.46Å; F21-H69 VanDerWaalsContact CZ-CD2 3.46Å; F21-H69 WeakPolarHBondContact CZ-CD2 3.49Å; N65-H69 WeakPolarHBondContact O-CB 3.49Å; N65-H69 PolarHBondContact O-N 2.91Å; H69-Q71 VanDerWaalsContact C-N 3.26Å; H69-Q71 PolarHBondContact O-N 2.94Å; H69-I72 WeakPolarHBondContact O-CB 3.3Å; H69-I72 PolarHBondContact O-N 2.9Å; H69-D73 IonicContact CD2-OD1 3.47Å; H69-D73 IonicContact CD2-OD2 2.76Å; H69-D73 IonicContact CE1-OD1 3.17Å; H69-D73 IonicContact NE2-OD1 3.87Å; H69-D73 PolarHBondContact NE2-OD1 3.22Å; H69-D73 IonicContact NE2-OD2 3.46Å; H69-D73 PolarHBondContact O-N 3.46Å; H69-M96 WeakPolarHBondContact CE1-CE 3.41Å; H69-M96 VanDerWaalsContact NE2-CE 3.33Å; H69-M96 WeakPolarHBondContact NE2-CE 3.21Å
70S97.4Very high97.6Very high15 Ų1556.7 Ų56.711%0.10529%0.294CS..Hα-helixtrans-62.6-30.8175.475.10000113.7V66 K67 A68 R74V66-S70 WeakPolarHBondContact O-CB 3.32Å; V66-S70 PolarHBondContact O-N 2.82Å; K67-S70 PolarHBondContact O-OG 2.97Å; A68-S70 PolarHBondContact O-N 3.16Å; S70-R74 WeakPolarHBondContact O-CB 3.44Å; S70-R74 PolarHBondContact O-N 3.18Å
71Q97.4Very high97.6Very high103 Ų10356.3 Ų56.348%0.48129%0.287SS..Hα-helixtrans-73-35.2172.9-63.3-49.4-63.100112.2K67 A68 H69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.11Å; K67-Q71 PolarHBondContact O-N 2.94Å; A68-Q71 PolarHBondContact O-N 2.89Å; H69-Q71 VanDerWaalsContact C-N 3.26Å; H69-Q71 PolarHBondContact O-N 2.94Å; Q71-R74 PolarHBondContact O-N 3.44Å; Q71-V75 WeakPolarHBondContact O-CG2 3.21Å; Q71-V75 PolarHBondContact O-N 3.17Å
72I97.2Very high97.6Very high92 Ų9254.7 Ų54.747%0.47229%0.291SS..Hα-helixtrans-63.1-52.2174.5-67.7167.7000109.5A68 H69 R74 V75 D76A68-I72 WeakPolarHBondContact O-CG1 3.45Å; A68-I72 PolarHBondContact O-N 3.17Å; A68-I72 VanDerWaalsContact O-N 3.14Å; H69-I72 WeakPolarHBondContact O-CB 3.3Å; H69-I72 PolarHBondContact O-N 2.9Å; I72-R74 PolarHBondContact O-N 3.31Å; I72-V75 WeakPolarHBondContact O-CA 3.44Å; I72-V75 WeakPolarHBondContact O-CB 3.34Å; I72-V75 PolarHBondContact O-N 2.77Å; I72-D76 WeakPolarHBondContact CG2-OD2 3.32Å; I72-D76 PolarHBondContact O-N 3.48Å
73D97.3Very high97.6Very high6 Ų655.8 Ų55.83%0.03229%0.294CS..Hα-helixtrans-58.3-35.8179.1-8115.4000112.9S10 F21 H69 V75 D76 L77S10-D73 WeakPolarHBondContact CB-OD2 3.22Å; S10-D73 WeakPolarHBondContact OG-CB 3.44Å; S10-D73 VanDerWaalsContact OG-CG 3.29Å; S10-D73 PolarHBondContact OG-OD2 2.84Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.4Å; H69-D73 IonicContact CD2-OD1 3.47Å; H69-D73 IonicContact CD2-OD2 2.76Å; H69-D73 IonicContact CE1-OD1 3.17Å; H69-D73 IonicContact NE2-OD1 3.87Å; H69-D73 PolarHBondContact NE2-OD1 3.22Å; H69-D73 IonicContact NE2-OD2 3.46Å; H69-D73 PolarHBondContact O-N 3.46Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 3.34Å; D73-D76 PolarHBondContact O-N 3.16Å; D73-L77 WeakPolarHBondContact O-CB 3.25Å; D73-L77 WeakPolarHBondContact O-CG 3.4Å; D73-L77 PolarHBondContact O-N 3.42Å
74R96.9Very high97.5Very high105 Ų10558.4 Ų58.440%0.39630%0.303SS..Hα-helixtrans-60.1-44174.3174.5-171166.9164.213.8111.5E18 P19 S70 Q71 I72E18-R74 VanDerWaalsContact CD-NH1 3.28Å; E18-R74 IonicContact OE1-CZ 2.77Å; E18-R74 IonicContact OE1-NE 3.56Å; E18-R74 IonicContact OE1-NH1 3.78Å; E18-R74 PolarHBondContact OE1-NH1 2.94Å; E18-R74 IonicContact OE1-NH2 3.34Å; E18-R74 PolarHBondContact OE1-NH2 2.7Å; E18-R74 WeakPolarHBondContact OE2-CD 3.39Å; E18-R74 IonicContact OE2-CZ 3.58Å; E18-R74 IonicContact OE2-NE 3.13Å; E18-R74 PolarHBondContact OE2-NE 2.83Å; E18-R74 IonicContact OE2-NH1 3.61Å; E18-R74 PolarHBondContact OE2-NH1 3.46Å; E18-R74 IonicContact OE2-NH2 3.59Å; E18-R74 PolarHBondContact OE2-NH2 2.81Å; P19-R74 HydrophobicContact CG-CB 4.45Å; P19-R74 HydrophobicContact CG-CG 4.25Å; S70-R74 WeakPolarHBondContact O-CB 3.44Å; S70-R74 PolarHBondContact O-N 3.18Å; Q71-R74 PolarHBondContact O-N 3.44Å; I72-R74 PolarHBondContact O-N 3.31Å
75V97.6Very high97.5Very high93 Ų9358.6 Ų58.656%0.56432%0.315SS*.Hα-helixtrans-69.6-39.6177.21750000110.5Q71 I72 D73 G78 T79Q71-V75 WeakPolarHBondContact O-CG2 3.21Å; Q71-V75 PolarHBondContact O-N 3.17Å; I72-V75 WeakPolarHBondContact O-CA 3.44Å; I72-V75 WeakPolarHBondContact O-CB 3.34Å; I72-V75 PolarHBondContact O-N 2.77Å; D73-V75 VanDerWaalsContact C-N 3.33Å; D73-V75 PolarHBondContact O-N 3.34Å; V75-G78 PolarHBondContact O-N 3.48Å; V75-T79 PolarHBondContact O-N 3.48Å; V75-T79 PolarHBondContact O-OG1 2.82Å; V75-T79 VanDerWaalsContact O-OG1 3.06Å
76D97.9Very high97.5Very high60 Ų6058 Ų5832%0.32131%0.31SS..Hα-helixtrans-67.2-37.4-179.7-70.7-18.9000111.8I72 D73 G78 T79 L80 I94I72-D76 WeakPolarHBondContact CG2-OD2 3.32Å; I72-D76 PolarHBondContact O-N 3.48Å; D73-D76 PolarHBondContact O-N 3.16Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.92Å; D76-T79 CarbonylContact O-C 3.58Å; D76-T79 WeakPolarHBondContact O-CB 3.02Å; D76-T79 PolarHBondContact O-N 3.46Å; D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.36Å; D76-L80 PolarHBondContact O-N 2.83Å; D76-I94 HydrophobicContact CB-CD1 3.74Å
77L98Very high97.4Very high11 Ų1161 Ų616%0.05833%0.331CS..Hα-helixtrans-56.8-41.4171.8-81.3164.9000111.9P19 D73 R81 H92 I94 Y117P19-L77 HydrophobicContact CB-CD1 3.57Å; P19-L77 HydrophobicContact CG-CD1 3.61Å; D73-L77 WeakPolarHBondContact O-CB 3.25Å; D73-L77 WeakPolarHBondContact O-CG 3.4Å; D73-L77 PolarHBondContact O-N 3.42Å; L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.27Å; L77-R81 PolarHBondContact O-N 2.88Å; L77-H92 HydrophobicContact CD2-CB 4.05Å; L77-I94 HydrophobicContact CB-CD1 4.41Å; L77-I94 HydrophobicContact CD2-CD1 3.99Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.72Å; L77-I94 HydrophobicContact CG-CG1 4.07Å; L77-Y117 HydrophobicContact CD2-CE2 4.38Å
78G96.3Very high97.2Very high36 Ų3663.8 Ų63.837%0.37135%0.345SS..Hα-helixtrans-67.8-38.9174.800000112.8V75 D76 G82V75-G78 PolarHBondContact O-N 3.48Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.92Å; G78-G82 PolarHBondContact O-N 2.76Å
79T97.8Very high96.9Very high46 Ų4665.2 Ų65.228%0.28236%0.358SS..Hα-helixtrans-67.6-49179.2-60.60000111.9V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 3.48Å; V75-T79 PolarHBondContact O-OG1 2.82Å; V75-T79 VanDerWaalsContact O-OG1 3.06Å; D76-T79 CarbonylContact O-C 3.58Å; D76-T79 WeakPolarHBondContact O-CB 3.02Å; D76-T79 PolarHBondContact O-N 3.46Å; T79-G82 WeakPolarHBondContact O-CA 3.41Å; T79-G82 PolarHBondContact O-N 3.32Å; T79-G82 VanDerWaalsContact O-N 3.08Å; T79-Y83 HydrophobicContact CG2-CD1 4.39Å; T79-Y83 HydrophobicContact CG2-CD2 4.47Å; T79-Y83 HydrophobicContact CG2-CE1 3.76Å; T79-Y83 HydrophobicContact CG2-CE2 3.87Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.47Å; T79-Y83 PolarHBondContact O-N 3.1Å
80L98.1Very high96.8Very high11 Ų1164.2 Ų64.26%0.05836%0.359CS..Hα-helixtrans-63.3-42.9179.8-68.5176.8000111.3D76 G82 Y83 Y84 I94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.31Å; D76-L80 WeakPolarHBondContact O-CG 3.36Å; D76-L80 PolarHBondContact O-N 2.83Å; L80-G82 PolarHBondContact O-N 2.79Å; L80-Y83 HydrophobicContact CD2-CD2 4.08Å; L80-Y83 PolarHBondContact O-N 3.32Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.43Å; L80-Y84 PolarHBondContact O-N 3.31Å; L80-I94 HydrophobicContact CD1-CD1 3.54Å; L80-I94 HydrophobicContact CD1-CG1 3.67Å; L80-Y117 HydrophobicContact CB-CD2 4.11Å; L80-Y117 HydrophobicContact CB-CE1 4.21Å; L80-Y117 HydrophobicContact CB-CE2 3.73Å; L80-Y117 HydrophobicContact CB-CG 4.49Å; L80-Y117 HydrophobicContact CD1-CD2 3.4Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.4Å; L80-Y117 HydrophobicContact CD1-CE2 3.79Å; L80-Y117 HydrophobicContact CD1-CG 3.91Å; L80-Y117 HydrophobicContact CG-CD2 4.37Å; L80-Y117 HydrophobicContact CG-CE2 4.42Å; L80-Y122 HydrophobicContact CD2-CD2 4.37Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.6Å; L80-Y122 VanDerWaalsContact CD2-OH 3.26Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.43Å
81R97.1Very high96.8Very high73 Ų7367 Ų6728%0.27538%0.379SS..Hα-helixtrans-52.8-41.9172-174.1-171.867.7-177.111111.7L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.27Å; L77-R81 PolarHBondContact O-N 2.88Å; R81-N85 PolarHBondContact O-N 3.17Å; R81-N85 VanDerWaalsContact O-N 3.11Å; R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.24Å; R81-Q86 PolarHBondContact O-N 3.1Å; R81-E88 IonicContact CZ-OE1 3.1Å; R81-E88 IonicContact NH1-OE1 3.28Å; R81-E88 PolarHBondContact NH1-OE1 2.93Å; R81-E88 IonicContact NH2-OE1 2.67Å; R81-E88 PolarHBondContact NH2-OE1 3.03Å
82G97.3Very high96.9Very high42 Ų4262.9 Ų62.943%0.43336%0.36SS..Hα-helixtrans-64.8-46.7174.800000113.1G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.76Å; T79-G82 WeakPolarHBondContact O-CA 3.41Å; T79-G82 PolarHBondContact O-N 3.32Å; T79-G82 VanDerWaalsContact O-N 3.08Å; L80-G82 PolarHBondContact O-N 2.79Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.22Å; G82-N85 PolarHBondContact O-N 3.4Å; G82-N85 VanDerWaalsContact O-N 3.16Å
83Y98.1Very high96.9Very high53 Ų5360.1 Ų60.121%0.20835%0.347CS..Hα-helixtrans-59.8-36.6178.3-66.7-10.9000113T79 L80 A138 I141 K145T79-Y83 HydrophobicContact CG2-CD1 4.39Å; T79-Y83 HydrophobicContact CG2-CD2 4.47Å; T79-Y83 HydrophobicContact CG2-CE1 3.76Å; T79-Y83 HydrophobicContact CG2-CE2 3.87Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.47Å; T79-Y83 PolarHBondContact O-N 3.1Å; L80-Y83 HydrophobicContact CD2-CD2 4.08Å; L80-Y83 PolarHBondContact O-N 3.32Å; Y83-A138 HydrophobicContact CD2-CB 4.43Å; Y83-I141 HydrophobicContact CD1-CD1 4.1Å; Y83-I141 HydrophobicContact CE1-CD1 4.26Å; Y83-I141 HydrophobicContact CE1-CG2 3.99Å; Y83-I141 HydrophobicContact CE2-CB 4.13Å; Y83-I141 HydrophobicContact CE2-CG2 4.13Å; Y83-I141 HydrophobicContact CG-CD1 4.23Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.43Å; Y83-K145 WeakPolarHBondContact OH-CE 3.31Å; Y83-K145 PolarHBondContact OH-NZ 3.19Å
84Y98Very high97Very high68 Ų6860.2 Ų60.227%0.26735%0.347SS..THydrogen-bonded Turntrans-92.44.3179.9-69.7-72000114L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.43Å; L80-Y84 PolarHBondContact O-N 3.31Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.22Å; Y84-Q86 PolarHBondContact O-N 3.4Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.49Å; Y84-Y117 HydrophobicContact CE2-CD1 3.49Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.49Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CG 4.4Å; Y84-Y117 HydrophobicContact CG-CE1 4.32Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.44Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.31Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.39Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.06Å; Y84-D136 PolarHBondContact OH-OD2 3.04Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.48Å; Y84-A138 HydrophobicContact CE1-CB 3.68Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å
85N97.1Very high97.1Very high152 Ų15259.1 Ų59.181%0.81335%0.347SS*.THydrogen-bonded Turntrans51.439.7-177-57.5-60.4000113.3R81 G82R81-N85 PolarHBondContact O-N 3.17Å; R81-N85 VanDerWaalsContact O-N 3.11Å; G82-N85 PolarHBondContact O-N 3.4Å; G82-N85 VanDerWaalsContact O-N 3.16Å
86Q97.4Very high97.1Very high59 Ų5955.3 Ų55.328%0.27632%0.323SS..  trans-87.5155.1-176.2-71.5168.8-34.400112R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.24Å; R81-Q86 PolarHBondContact O-N 3.1Å; Y84-Q86 PolarHBondContact O-N 3.4Å; Q86-H92 PolarHBondContact NE2-CE1 3.48Å; Q86-H92 PolarHBondContact OE1-CE1 2.9Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.26Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.23Å; Q86-D118 PolarHBondContact NE2-OD2 2.86Å
87S95.6Very high97.2Very high77 Ų7753.4 Ų53.454%0.53831%0.312SS..  trans-75.5152.7-178.598.60000112.5A89 G90S87-A89 PolarHBondContact O-N 2.84Å; S87-A89 PolarHBondContact OG-N 2.83Å; S87-G90 PolarHBondContact O-N 2.85Å
88E92.6Very high97.2Very high136 Ų13655.2 Ų55.264%0.63632%0.319SS*.THydrogen-bonded Turntrans-70.7-16.8177.1-52.3-156.512900114.2P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.46Å; P14-E88 WeakPolarHBondContact CG-O 3.35Å; R81-E88 IonicContact CZ-OE1 3.1Å; R81-E88 IonicContact NH1-OE1 3.28Å; R81-E88 PolarHBondContact NH1-OE1 2.93Å; R81-E88 IonicContact NH2-OE1 2.67Å; R81-E88 PolarHBondContact NH2-OE1 3.03Å; E88-G90 VanDerWaalsContact C-N 3.31Å
89A93.5Very high97.3Very high86 Ų8653.5 Ų53.571%0.71130%0.301SS*.THydrogen-bonded Turntrans-80.7-14.5179.900000112.9S87S87-A89 PolarHBondContact O-N 2.84Å; S87-A89 PolarHBondContact OG-N 2.83Å
90G94.4Very high97.4Very high24 Ų2451.3 Ų51.325%0.24729%0.287CS..SBendtrans-76.3136.9-179.900000112.7P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.24Å; P14-G90 WeakPolarHBondContact CG-O 3.4Å; S87-G90 PolarHBondContact O-N 2.85Å; E88-G90 VanDerWaalsContact C-N 3.31Å; G90-H92 PolarHBondContact O-CD2 3.13Å; G90-H92 VanDerWaalsContact O-CD2 3.3Å
91S97.7Very high97.4Very high73 Ų7352.2 Ų52.251%0.5129%0.293SS..  trans-82.3134.6163.9178.20000108.7S12S12-S91 WeakPolarHBondContact O-CB 3.39Å; S12-S91 PolarHBondContact O-OG 2.96Å
92H98.4Very high97.5Very high18 Ų1848.8 Ų48.88%0.08328%0.28CS..  trans-132.8153.8-175.5-65.6-70.9000110.3S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.82Å; S12-H92 PolarHBondContact OG-N 2.88Å; S12-H92 PolarHBondContact OG-O 2.82Å; L77-H92 HydrophobicContact CD2-CB 4.05Å; Q86-H92 PolarHBondContact NE2-CE1 3.48Å; Q86-H92 PolarHBondContact OE1-CE1 2.9Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.26Å; G90-H92 PolarHBondContact O-CD2 3.13Å; G90-H92 VanDerWaalsContact O-CD2 3.3Å; H92-Y117 HydrophobicContact CB-CE2 3.92Å; H92-Y117 WeakPolarHBondContact CB-OH 3.48Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 2.89Å; H92-D118 WeakPolarHBondContact CA-OD1 3.5Å; H92-D118 IonicContact CE1-OD2 3.32Å; H92-D118 IonicContact CG-OD1 2.7Å; H92-D118 IonicContact CG-OD2 3.65Å; H92-D118 IonicContact ND1-OD1 3.71Å; H92-D118 IonicContact ND1-OD2 3.74Å; H92-D118 PolarHBondContact ND1-OD2 2.74Å
93T98.8Very high97.5Very high33 Ų3347.2 Ų47.220%0.20226%0.264CS..EExtended strand (participates in β ladder)trans-126.2131.4-175.9-520000111.4T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.92Å; S10-T93 CarbonylContact O-C 3.6Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.36Å; V11-T93 HydrophobicContact CG2-CG2 4.2Å; T93-Q95 HydrophobicContact CG2-CG 3.89Å; T93-Y117 CarbonylContact O-C 3.5Å; T93-Y117 WeakPolarHBondContact O-CA 3.35Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.37Å; T93-D118 PolarHBondContact N-OD1 3.28Å; T93-D118 PolarHBondContact O-N 2.98Å
94I98.8Very high97.3Very high8 Ų850.4 Ų50.44%0.04129%0.294CS..EExtended strand (participates in β ladder)trans-106.8135.1162.1-63.9174000107.6T9 S10 D76 L77 L80 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.2Å; S10-I94 PolarHBondContact N-O 3.39Å; S10-I94 PolarHBondContact O-N 3.4Å; D76-I94 HydrophobicContact CB-CD1 3.74Å; L77-I94 HydrophobicContact CB-CD1 4.41Å; L77-I94 HydrophobicContact CD2-CD1 3.99Å; L77-I94 HydrophobicContact CD2-CG1 3.78Å; L77-I94 HydrophobicContact CG-CD1 3.72Å; L77-I94 HydrophobicContact CG-CG1 4.07Å; L80-I94 HydrophobicContact CD1-CD1 3.54Å; L80-I94 HydrophobicContact CD1-CG1 3.67Å; I94-A116 WeakPolarHBondContact CA-O 3.49Å; I94-Y117 HydrophobicContact CG1-CD2 3.93Å; I94-Y117 HydrophobicContact CG1-CE2 4.36Å
95Q98.8Very high97.1Very high82 Ų8251.2 Ų51.238%0.38330%0.303SS..EExtended strand (participates in β ladder)trans-126.2140.1170.4-59.5175.5-100.400108.9T8 T9 T93 D115 A116T8-Q95 VanDerWaalsContact O-CA 3.3Å; T8-Q95 WeakPolarHBondContact O-CA 3.18Å; T9-Q95 HydrophobicContact CG2-CG 4.22Å; T93-Q95 HydrophobicContact CG2-CG 3.89Å; Q95-D115 CarbonylContact O-C 3.6Å; Q95-D115 VanDerWaalsContact O-CA 3.27Å; Q95-D115 WeakPolarHBondContact O-CA 3.32Å; Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.34Å; Q95-A116 PolarHBondContact O-N 3.1Å
96M98.5Very high97Very high14 Ų1444.6 Ų44.67%0.06927%0.27CS..EExtended strand (participates in β ladder)trans-130.9139.3173177.3-169.562.400109.6F7 T8 H69 Y98 Q113 Q114 D115F7-M96 WeakPolarHBondContact CA-O 3.42Å; T8-M96 HydrophobicContact CG2-CE 3.8Å; T8-M96 PolarHBondContact N-O 3.13Å; T8-M96 PolarHBondContact O-N 3.44Å; T8-M96 WeakPolarHBondContact OG1-CB 3.21Å; H69-M96 WeakPolarHBondContact CE1-CE 3.41Å; H69-M96 VanDerWaalsContact NE2-CE 3.33Å; H69-M96 WeakPolarHBondContact NE2-CE 3.21Å; M96-Y98 HydrophobicContact CE-CD1 3.41Å; M96-Y98 VanDerWaalsContact CE-CD1 3.41Å; M96-Y98 HydrophobicContact CE-CE1 3.38Å; M96-Y98 HydrophobicContact CG-CD1 4.27Å; M96-Y98 HydrophobicContact SD-CD1 3.98Å; M96-Y98 HydrophobicContact SD-CE1 4.45Å; M96-Q113 PolarHBondContact SD-NE2 2.9Å; M96-Q114 CarbonylContact C-O 3.54Å; M96-Q114 WeakPolarHBondContact CA-O 3.2Å; M96-D115 WeakPolarHBondContact CG-OD1 3.31Å
97M98.7Very high97Very high19 Ų1949.9 Ų49.99%0.09429%0.287CS..EExtended strand (participates in β ladder)trans-124.5128.9168.3-174.2-78.7-67.600109.3Y6 F7 Y112 Q113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.42Å; F7-M97 HydrophobicContact CD1-CB 4.01Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.16Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 4.04Å; M97-Y112 HydrophobicContact CE-CD1 4.1Å; M97-Y112 HydrophobicContact CE-CG 4.09Å; M97-Q113 CarbonylContact O-C 3.57Å; M97-Q113 WeakPolarHBondContact O-CA 3.41Å; M97-Q114 HydrophobicContact CB-CG 4.09Å; M97-Q114 VanDerWaalsContact CE-CD 3.44Å; M97-Q114 HydrophobicContact CE-CG 3.9Å; M97-Q114 PolarHBondContact N-O 3.4Å; M97-Q114 PolarHBondContact O-N 2.82Å
98Y98.7Very high97.1Very high49 Ų4949.1 Ų49.119%0.19228%0.275CS..EExtended strand (participates in β ladder)trans-144.9158.1173.971.7-82.5000111.7R5 Y6 M96 Y112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.37Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.41Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.49Å; Y6-Y98 AromaticContact CD2-CE2 3.86Å; Y6-Y98 HydrophobicContact CD2-CE2 3.86Å; Y6-Y98 AromaticContact CD2-CZ 3.89Å; Y6-Y98 HydrophobicContact CG-CE1 4.23Å; Y6-Y98 HydrophobicContact CG-CE2 4.24Å; Y6-Y98 AromaticContact CG-CZ 3.79Å; Y6-Y98 PolarHBondContact N-O 3.48Å; Y6-Y98 PolarHBondContact O-N 3.08Å; Y6-Y98 VanDerWaalsContact O-N 3.12Å; M96-Y98 HydrophobicContact CE-CD1 3.41Å; M96-Y98 VanDerWaalsContact CE-CD1 3.41Å; M96-Y98 HydrophobicContact CE-CE1 3.38Å; M96-Y98 HydrophobicContact CG-CD1 4.27Å; M96-Y98 HydrophobicContact SD-CD1 3.98Å; M96-Y98 HydrophobicContact SD-CE1 4.45Å; Y98-Y112 WeakPolarHBondContact CA-O 3.46Å; Y98-Y112 VanDerWaalsContact CB-O 3.27Å; Y98-Y112 WeakPolarHBondContact CB-O 3.24Å; Y98-Y158 AromaticContact CD2-CE1 3.83Å; Y98-Y158 HydrophobicContact CD2-CE1 3.83Å; Y98-Y158 AromaticContact CE2-CE1 3.78Å; Y98-Y158 HydrophobicContact CE2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CZ 3.95Å
99G98.7Very high97.3Very high0 Ų048 Ų480%027%0.272CS..EExtended strand (participates in β ladder)trans154.1-173.8-17900000113.8M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.28Å; G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.45Å; G99-Y112 PolarHBondContact N-O 3.37Å; G99-Y112 PolarHBondContact O-N 2.86Å; G99-L159 WeakPolarHBondContact O-CD2 3.3Å
100C98.8Very high97.6Very high0 Ų048 Ų480%025%0.254CS..EExtended strand (participates in β ladder)trans-134.5150.4-172.1550000111.6S3 M4 F108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.32Å; M4-C100 PolarHBondContact N-O 3.36Å; M4-C100 PolarHBondContact O-N 2.9Å; C100-F108 HydrophobicContact CB-CD2 4.39Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; C100-R110 CarbonylContact C-O 3.51Å; C100-R110 WeakPolarHBondContact CA-O 3.31Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.31Å; C100-C163 PolarHBondContact N-SG 2.79Å; C100-C163 WeakPolarHBondContact SG-CB 3.41Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.91Å; C100-V164 HydrophobicContact CB-CG2 4.37Å
101D98.7Very high97.8Very high31 Ų3147.1 Ų47.117%0.16624%0.244CC..EExtended strand (participates in β ladder)trans-112.9140.2172.3-63.1-5.4000109.3H2 S3 R5 L109 R110 Y112H2-D101 WeakPolarHBondContact O-CA 3.39Å; S3-D101 WeakPolarHBondContact CB-OD1 3.34Å; R5-D101 IonicContact CZ-OD1 2.98Å; R5-D101 IonicContact NE-OD1 3.62Å; R5-D101 PolarHBondContact NE-OD1 3.2Å; R5-D101 IonicContact NH2-OD1 3.01Å; R5-D101 PolarHBondContact NH2-OD1 3.49Å; R5-D101 IonicContact NH2-OD2 3.63Å; R5-D101 PolarHBondContact NH2-OD2 3.13Å; D101-L109 HydrophobicContact CB-CB 4.47Å; D101-L109 PolarHBondContact O-N 3.2Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 3.3Å; D101-R110 PolarHBondContact O-N 3.4Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.28Å; D101-Y112 PolarHBondContact OD2-OH 3.38Å; D101-Y112 VanDerWaalsContact OD2-OH 3.1Å
102V98.5Very high97.8Very high1 Ų145.6 Ų45.61%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-125.6147177.4-60.70000112S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.47Å; S1-V102 VanDerWaalsContact CB-O 3.25Å; S1-V102 WeakPolarHBondContact CB-O 3.49Å; H2-V102 HydrophobicContact CB-CG2 4.07Å; H2-V102 PolarHBondContact N-O 2.78Å; H2-V102 PolarHBondContact O-N 3.36Å; V102-R107 CarbonylContact C-O 3.54Å; V102-R107 WeakPolarHBondContact CA-O 3.14Å; V102-R107 WeakPolarHBondContact CB-O 3.42Å; V102-V164 HydrophobicContact CG1-CB 4.42Å; V102-V164 HydrophobicContact CG1-CG1 3.96Å; V102-V164 HydrophobicContact CG1-CG2 4.01Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.23Å
103G97.4Very high97.8Very high9 Ų945.7 Ų45.79%0.09323%0.228CC..  trans-68.3174.317400000112.2D105 G106 R107G103-D105 PolarHBondContact O-N 3.1Å; G103-G106 WeakPolarHBondContact O-CA 3.4Å; G103-G106 PolarHBondContact O-N 2.96Å; G103-R107 PolarHBondContact N-O 3.48Å
104S93.5Very high97.8Very high120 Ų12048 Ų4884%0.83924%0.237SC*.THydrogen-bonded Turntrans-62.1-23.9172.8490000113.1G106S104-G106 PolarHBondContact O-N 3.01Å
105D94.3Very high97.8Very high85 Ų8548.9 Ų48.946%0.45524%0.242SC..THydrogen-bonded Turntrans-84.65.6171.762.94.8000113.4G103 R107G103-D105 PolarHBondContact O-N 3.1Å; D105-R107 PolarHBondContact O-N 2.99Å; D105-R107 WeakPolarHBondContact OD1-CB 3.35Å; D105-R107 PolarHBondContact OD1-N 3.4Å; D105-R107 IonicContact OD1-NE 2.68Å; D105-R107 IonicContact OD2-CZ 2.84Å; D105-R107 IonicContact OD2-NE 2.7Å; D105-R107 PolarHBondContact OD2-NE 3.05Å; D105-R107 IonicContact OD2-NH2 3.07Å; D105-R107 PolarHBondContact OD2-NH2 2.93Å
106G94.6Very high97.8Very high13 Ų1345.8 Ų45.813%0.13423%0.23CC..  trans72.13.9-178.800000114.5G103 S104 R168G103-G106 WeakPolarHBondContact O-CA 3.4Å; G103-G106 PolarHBondContact O-N 2.96Å; S104-G106 PolarHBondContact O-N 3.01Å; G106-R168 PolarHBondContact O-NE 3.44Å; G106-R168 PolarHBondContact O-NH2 3.48Å
107R97.3Very high97.8Very high169 Ų16945.7 Ų45.764%0.63823%0.229SC*.  trans-75.8146.5178.7-72.8-172.2-85.2180-8.7111.3V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.54Å; V102-R107 WeakPolarHBondContact CA-O 3.14Å; V102-R107 WeakPolarHBondContact CB-O 3.42Å; G103-R107 PolarHBondContact N-O 3.48Å; D105-R107 PolarHBondContact O-N 2.99Å; D105-R107 WeakPolarHBondContact OD1-CB 3.35Å; D105-R107 PolarHBondContact OD1-N 3.4Å; D105-R107 IonicContact OD1-NE 2.68Å; D105-R107 IonicContact OD2-CZ 2.84Å; D105-R107 IonicContact OD2-NE 2.7Å; D105-R107 PolarHBondContact OD2-NE 3.05Å; D105-R107 IonicContact OD2-NH2 3.07Å; D105-R107 PolarHBondContact OD2-NH2 2.93Å; R107-L109 PolarHBondContact O-N 3.47Å
108F98.4Very high97.8Very high62 Ų6247.8 Ų47.827%0.27224%0.24SC..EExtended strand (participates in β ladder)trans-55.7128.6176-179.7-98.4000110.7C100 R110 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.39Å; C100-F108 HydrophobicContact CB-CE2 4.15Å; F108-R110 VanDerWaalsContact CE2-C 3.42Å; F108-R110 VanDerWaalsContact CE2-O 3.27Å; F108-R110 WeakPolarHBondContact CE2-O 3.41Å; F108-L129 HydrophobicContact CE1-CD1 4.01Å; F108-L129 HydrophobicContact CZ-CD1 3.68Å; F108-L159 HydrophobicContact CE2-CB 4.43Å; F108-L159 WeakPolarHBondContact CE2-O 3.27Å; F108-E160 HydrophobicContact CD1-CG 4.33Å; F108-E160 HydrophobicContact CE1-CG 4.19Å; F108-E160 HydrophobicContact CE2-CG 4.5Å; F108-E160 HydrophobicContact CZ-CG 4.27Å; F108-V164 HydrophobicContact CB-CG2 4.09Å; F108-V164 HydrophobicContact CD2-CG2 3.68Å; F108-V164 HydrophobicContact CG-CG2 4.38Å
109L98Very high97.7Very high111 Ų11148.1 Ų48.158%0.58126%0.259SS*.EExtended strand (participates in β ladder)trans-107.4-48.1173.4-66.2-179.8000111.2D101 R107D101-L109 HydrophobicContact CB-CB 4.47Å; D101-L109 PolarHBondContact O-N 3.2Å; R107-L109 PolarHBondContact O-N 3.47Å
110R97.9Very high97.7Very high88 Ų8855.9 Ų55.933%0.33229%0.293SS..EExtended strand (participates in β ladder)trans-157.5151.3-172.2-172.2163.2170.1147.36.9111.4C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.51Å; C100-R110 WeakPolarHBondContact CA-O 3.31Å; D101-R110 HydrophobicContact CB-CB 4.45Å; D101-R110 PolarHBondContact N-O 3.3Å; D101-R110 PolarHBondContact O-N 3.4Å; F108-R110 VanDerWaalsContact CE2-C 3.42Å; F108-R110 VanDerWaalsContact CE2-O 3.27Å; F108-R110 WeakPolarHBondContact CE2-O 3.41Å; R110-Y112 HydrophobicContact CB-CE2 4.17Å; R110-Y112 WeakPolarHBondContact CD-OH 3.45Å; R110-Y112 HydrophobicContact CG-CD2 4.5Å; R110-Y112 HydrophobicContact CG-CE1 4.29Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NE-OH 3.26Å; R110-E127 VanDerWaalsContact CZ-CG 3.45Å; R110-E127 IonicContact CZ-OE1 3.99Å; R110-E127 IonicContact NH1-OE1 2.82Å; R110-E127 PolarHBondContact NH1-OE1 2.91Å; R110-E127 IonicContact NH1-OE2 3.74Å; R110-E127 VanDerWaalsContact NH2-CD 3.29Å; R110-E127 IonicContact NH2-OE1 3.66Å; R110-E127 PolarHBondContact NH2-OE1 2.92Å
111G98.4Very high97.7Very high4 Ų462 Ų624%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-127.5154.717600000110.6G99G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.45Å
112Y98.6Very high97.7Very high41 Ų4161 Ų6116%0.16132%0.32CS..EExtended strand (participates in β ladder)trans-135.8140.2-175.6-57.2-94.2000109.9M97 Y98 G99 D101 R110M97-Y112 HydrophobicContact CE-CD1 4.1Å; M97-Y112 HydrophobicContact CE-CG 4.09Å; Y98-Y112 WeakPolarHBondContact CA-O 3.46Å; Y98-Y112 VanDerWaalsContact CB-O 3.27Å; Y98-Y112 WeakPolarHBondContact CB-O 3.24Å; G99-Y112 PolarHBondContact N-O 3.37Å; G99-Y112 PolarHBondContact O-N 2.86Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.28Å; D101-Y112 PolarHBondContact OD2-OH 3.38Å; D101-Y112 VanDerWaalsContact OD2-OH 3.1Å; R110-Y112 HydrophobicContact CB-CE2 4.17Å; R110-Y112 WeakPolarHBondContact CD-OH 3.45Å; R110-Y112 HydrophobicContact CG-CD2 4.5Å; R110-Y112 HydrophobicContact CG-CE1 4.29Å; R110-Y112 HydrophobicContact CG-CE2 3.77Å; R110-Y112 PolarHBondContact NE-OH 3.26Å
113Q98.4Very high97.7Very high20 Ų2061.1 Ų61.19%0.09332%0.32CS..EExtended strand (participates in β ladder)trans-150.9114.7161.6175.990.6-0.400105.4M96 M97 L125 W132 L155M96-Q113 PolarHBondContact SD-NE2 2.9Å; M97-Q113 CarbonylContact O-C 3.57Å; M97-Q113 WeakPolarHBondContact O-CA 3.41Å; Q113-L125 HydrophobicContact CB-CB 3.95Å; Q113-L125 HydrophobicContact CB-CD2 4.26Å; Q113-L125 PolarHBondContact O-N 3.28Å; Q113-W132 HydrophobicContact CG-CH2 4.42Å; Q113-W132 HydrophobicContact CG-CZ3 4.4Å; Q113-L155 HydrophobicContact CB-CD1 4.08Å; Q113-L155 HydrophobicContact CG-CD1 3.71Å; Q113-L155 HydrophobicContact CG-CD2 4.34Å
114Q98.4Very high97.8Very high83 Ų8362 Ų6239%0.38833%0.327SS..EExtended strand (participates in β ladder)trans-146.4138.9179.363.7-169.245.300111M96 M97 I123 A124M96-Q114 CarbonylContact C-O 3.54Å; M96-Q114 WeakPolarHBondContact CA-O 3.2Å; M97-Q114 HydrophobicContact CB-CG 4.09Å; M97-Q114 VanDerWaalsContact CE-CD 3.44Å; M97-Q114 HydrophobicContact CE-CG 3.9Å; M97-Q114 PolarHBondContact N-O 3.4Å; M97-Q114 PolarHBondContact O-N 2.82Å; Q114-I123 WeakPolarHBondContact CA-O 3.27Å; Q114-A124 HydrophobicContact CB-CB 3.87Å
115D98.6Very high98.1Very high26 Ų2657 Ų5714%0.13929%0.291CS..EExtended strand (participates in β ladder)trans-120.1143.7-175.9-56.812000108.8Q95 M96 Y122 I123 W146Q95-D115 CarbonylContact O-C 3.6Å; Q95-D115 VanDerWaalsContact O-CA 3.27Å; Q95-D115 WeakPolarHBondContact O-CA 3.32Å; M96-D115 WeakPolarHBondContact CG-OD1 3.31Å; D115-Y122 HydrophobicContact CB-CD1 4.46Å; D115-Y122 WeakPolarHBondContact O-CA 3.06Å; D115-Y122 WeakPolarHBondContact O-CB 3.49Å; D115-Y122 PolarHBondContact O-N 3.1Å; D115-I123 HydrophobicContact CB-CG2 4.12Å; D115-I123 PolarHBondContact N-O 3.2Å; D115-I123 PolarHBondContact O-N 2.84Å; D115-W146 WeakPolarHBondContact OD2-CH2 2.99Å
116A98.8Very high98.3Very high17 Ų1757.3 Ų57.314%0.1429%0.288CS..EExtended strand (participates in β ladder)trans-127.2145.9174.600000110.4I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.49Å; Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.34Å; Q95-A116 PolarHBondContact O-N 3.1Å; A116-K120 CarbonylContact C-O 3.57Å; A116-K120 WeakPolarHBondContact CA-O 3.43Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.19Å
117Y98.8Very high98.4Very high11 Ų1163 Ų634%0.04331%0.311CS..EExtended strand (participates in β ladder)trans-123.8126.6176.1-174.2-117.1000110.2L77 L80 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.38Å; L80-Y117 HydrophobicContact CB-CD2 4.11Å; L80-Y117 HydrophobicContact CB-CE1 4.21Å; L80-Y117 HydrophobicContact CB-CE2 3.73Å; L80-Y117 HydrophobicContact CB-CG 4.49Å; L80-Y117 HydrophobicContact CD1-CD2 3.4Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.4Å; L80-Y117 HydrophobicContact CD1-CE2 3.79Å; L80-Y117 HydrophobicContact CD1-CG 3.91Å; L80-Y117 HydrophobicContact CG-CD2 4.37Å; L80-Y117 HydrophobicContact CG-CE2 4.42Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.47Å; Y84-Y117 HydrophobicContact CD2-CE1 3.47Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.47Å; Y84-Y117 AromaticContact CE2-CD1 3.49Å; Y84-Y117 HydrophobicContact CE2-CD1 3.49Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.49Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CG 4.4Å; Y84-Y117 HydrophobicContact CG-CE1 4.32Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 3.23Å; H92-Y117 HydrophobicContact CB-CE2 3.92Å; H92-Y117 WeakPolarHBondContact CB-OH 3.48Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 2.89Å; T93-Y117 CarbonylContact O-C 3.5Å; T93-Y117 WeakPolarHBondContact O-CA 3.35Å; T93-Y117 VanDerWaalsContact O-CD2 3.27Å; T93-Y117 WeakPolarHBondContact O-CD2 3.37Å; I94-Y117 HydrophobicContact CG1-CD2 3.93Å; I94-Y117 HydrophobicContact CG1-CE2 4.36Å; Y117-G119 PolarHBondContact O-N 3.28Å; Y117-K120 PolarHBondContact N-O 3.49Å; Y117-K120 PolarHBondContact O-N 3.11Å; Y117-K120 VanDerWaalsContact O-N 3.08Å
118D98.4Very high98.4Very high63 Ų6358.5 Ų58.534%0.33730%0.3SS..THydrogen-bonded Turntrans49.540.5-175.6-66.9-22.4000113.2Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.86Å; H92-D118 WeakPolarHBondContact CA-OD1 3.5Å; H92-D118 IonicContact CE1-OD2 3.32Å; H92-D118 IonicContact CG-OD1 2.7Å; H92-D118 IonicContact CG-OD2 3.65Å; H92-D118 IonicContact ND1-OD1 3.71Å; H92-D118 IonicContact ND1-OD2 3.74Å; H92-D118 PolarHBondContact ND1-OD2 2.74Å; T93-D118 PolarHBondContact N-OD1 3.28Å; T93-D118 PolarHBondContact O-N 2.98Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 3.42Å
119G97.9Very high98.4Very high57 Ų5755.8 Ų55.859%0.58829%0.288SS*.THydrogen-bonded Turntrans77.69.2177.400000115.3Y117Y117-G119 PolarHBondContact O-N 3.28Å
120K98.6Very high98.4Very high162 Ų16258.6 Ų58.670%0.70429%0.291SS*.EExtended strand (participates in β ladder)trans-115.8144.3175.9-63180-177.8177.30110.7A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.57Å; A116-K120 WeakPolarHBondContact CA-O 3.43Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.19Å; Y117-K120 PolarHBondContact N-O 3.49Å; Y117-K120 PolarHBondContact O-N 3.11Å; Y117-K120 VanDerWaalsContact O-N 3.08Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 3.42Å; K120-Y122 PolarHBondContact O-N 2.82Å
121D98.7Very high98.4Very high130 Ų13055.8 Ų55.870%0.69529%0.285SS*.EExtended strand (participates in β ladder)trans-50.9134173-67.1-16.7000110.5A135D121-A135 HydrophobicContact CB-CB 4.44Å; D121-A135 WeakPolarHBondContact O-CB 3.47Å
122Y98.8Very high98.4Very high8 Ų856 Ų563%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-113.3-64179.6179.3-110.8000110.3L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.37Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.6Å; L80-Y122 VanDerWaalsContact CD2-OH 3.26Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.43Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.12Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.44Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.31Å; D115-Y122 HydrophobicContact CB-CD1 4.46Å; D115-Y122 WeakPolarHBondContact O-CA 3.06Å; D115-Y122 WeakPolarHBondContact O-CB 3.49Å; D115-Y122 PolarHBondContact O-N 3.1Å; K120-Y122 PolarHBondContact O-N 2.82Å; Y122-A135 WeakPolarHBondContact O-CB 3.33Å; Y122-A135 PolarHBondContact O-N 3.15Å; Y122-A138 HydrophobicContact CE2-CB 4.5Å; Y122-A138 PolarHBondContact OH-O 3.43Å; Y122-A139 HydrophobicContact CD2-CB 3.82Å; Y122-A139 HydrophobicContact CE1-CB 4.49Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 WeakPolarHBondContact O-CB 3.5Å; Y122-T142 HydrophobicContact CE1-CG2 4.2Å; Y122-T142 WeakPolarHBondContact OH-CB 3.45Å; Y122-T142 PolarHBondContact OH-OG1 3.41Å
123I98.8Very high98.4Very high4 Ų457.7 Ų57.72%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-147.3141.2178.1-163.1171.3000110.4Q114 D115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.27Å; D115-I123 HydrophobicContact CB-CG2 4.12Å; D115-I123 PolarHBondContact N-O 3.2Å; D115-I123 PolarHBondContact O-N 2.84Å; I123-W132 HydrophobicContact CD1-CB 4.25Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.2Å; I123-W132 HydrophobicContact CD1-CG 4.4Å; I123-W132 HydrophobicContact CG1-CB 4.3Å; I123-W132 HydrophobicContact CG1-CE3 4.02Å; I123-T133 WeakPolarHBondContact CA-O 3.33Å; I123-T142 HydrophobicContact CD1-CG2 4.24Å; I123-Q143 HydrophobicContact CD1-CB 3.89Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.34Å; I123-W146 HydrophobicContact CG2-CE3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.06Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å
124A98.8Very high98.4Very high29 Ų2957.9 Ų57.924%0.2430%0.304CS..EExtended strand (participates in β ladder)trans-136.3138.417900000111.9Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.87Å; A124-W132 CarbonylContact O-C 3.58Å; A124-W132 WeakPolarHBondContact O-CA 3.44Å; A124-T133 PolarHBondContact N-O 2.04Å; A124-T133 PolarHBondContact O-N 3.07Å
125L98.8Very high98.4Very high15 Ų1556.8 Ų56.88%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-70.9127.8169.6-174.366.3000108.6Q113 L129 W132 A152 L155 L159Q113-L125 HydrophobicContact CB-CB 3.95Å; Q113-L125 HydrophobicContact CB-CD2 4.26Å; Q113-L125 PolarHBondContact O-N 3.28Å; L125-L129 HydrophobicContact CD2-CB 4.39Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.31Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.18Å; L125-W132 HydrophobicContact CB-CZ3 3.66Å; L125-W132 HydrophobicContact CD1-CD2 4.23Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.05Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.15Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; L125-A152 HydrophobicContact CD1-CB 3.91Å; L125-L155 HydrophobicContact CD2-CB 4.24Å; L125-L155 HydrophobicContact CD2-CD1 4.4Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å
126K98.6Very high98.4Very high90 Ų9058.2 Ų58.239%0.39132%0.317SS..  trans-71.6165177.7-63.3-166.3-156.81590111D128 L129 S131 W132 T133K126-D128 PolarHBondContact O-N 3.3Å; K126-L129 PolarHBondContact O-N 2.89Å; K126-S131 WeakPolarHBondContact CB-O 3.16Å; K126-S131 VanDerWaalsContact CD-OG 3.29Å; K126-S131 WeakPolarHBondContact CD-OG 3.37Å; K126-S131 PolarHBondContact N-O 3.22Å; K126-W132 WeakPolarHBondContact CE-O 3.44Å; K126-T133 WeakPolarHBondContact CE-OG1 3.34Å; K126-T133 WeakPolarHBondContact CG-OG1 3.12Å
127E97.6Very high98.4Very high132 Ų13263.6 Ų63.662%0.61734%0.341SS*.THydrogen-bonded Turntrans-57.4-23.2178.2-64.8-178.6-164.300113.9R110 L129R110-E127 VanDerWaalsContact CZ-CG 3.45Å; R110-E127 IonicContact CZ-OE1 3.99Å; R110-E127 IonicContact NH1-OE1 2.82Å; R110-E127 PolarHBondContact NH1-OE1 2.91Å; R110-E127 IonicContact NH1-OE2 3.74Å; R110-E127 VanDerWaalsContact NH2-CD 3.29Å; R110-E127 IonicContact NH2-OE1 3.66Å; R110-E127 PolarHBondContact NH2-OE1 2.92Å; E127-L129 PolarHBondContact O-N 3.08Å
128D97.7Very high98.4Very high76 Ų7663.5 Ų63.541%0.40634%0.343SS..THydrogen-bonded Turntrans-71-9.5175.167.911.9000114K126 R130 S131K126-D128 PolarHBondContact O-N 3.3Å; D128-R130 WeakPolarHBondContact O-CG 3.48Å; D128-R130 PolarHBondContact O-N 3Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.28Å; D128-S131 PolarHBondContact OD1-N 3.09Å; D128-S131 PolarHBondContact OD1-OG 3.28Å; D128-S131 PolarHBondContact OD2-OG 2.93Å
129L98.3Very high98.4Very high4 Ų460.5 Ų60.52%0.02133%0.327CS..SBendtrans5327.2-174.9-51.8179.3000114F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.01Å; F108-L129 HydrophobicContact CZ-CD1 3.68Å; L125-L129 HydrophobicContact CD2-CB 4.39Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.31Å; K126-L129 PolarHBondContact O-N 2.89Å; E127-L129 PolarHBondContact O-N 3.08Å; L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.9Å; L129-R156 HydrophobicContact CD1-CG 4.02Å; L129-L159 HydrophobicContact CD2-CD1 3.99Å; L129-E160 HydrophobicContact CD1-CG 4.03Å
130R97.8Very high98.4Very high170 Ų17060.8 Ų60.864%0.64231%0.312SS*.SBendtrans-133.4-29.4-174.1-71.7169.9-175.4-1119.7112.5D128D128-R130 WeakPolarHBondContact O-CG 3.48Å; D128-R130 PolarHBondContact O-N 3Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3.28Å
131S97.9Very high98.4Very high30 Ų3056 Ų5621%0.2129%0.294CS..  trans-124.1163.4-176.572.10000112.3K126 D128K126-S131 WeakPolarHBondContact CB-O 3.16Å; K126-S131 VanDerWaalsContact CD-OG 3.29Å; K126-S131 WeakPolarHBondContact CD-OG 3.37Å; K126-S131 PolarHBondContact N-O 3.22Å; D128-S131 PolarHBondContact OD1-N 3.09Å; D128-S131 PolarHBondContact OD1-OG 3.28Å; D128-S131 PolarHBondContact OD2-OG 2.93Å
132W98.8Very high98.4Very high7 Ų750.6 Ų50.63%0.02727%0.266CS..EExtended strand (participates in β ladder)trans-116.5149.1-173.3-59.595.7000111.6Q113 I123 A124 L125 K126 Q143 W146 V151 A152 L155Q113-W132 HydrophobicContact CG-CH2 4.42Å; Q113-W132 HydrophobicContact CG-CZ3 4.4Å; I123-W132 HydrophobicContact CD1-CB 4.25Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.2Å; I123-W132 HydrophobicContact CD1-CG 4.4Å; I123-W132 HydrophobicContact CG1-CB 4.3Å; I123-W132 HydrophobicContact CG1-CE3 4.02Å; A124-W132 CarbonylContact O-C 3.58Å; A124-W132 WeakPolarHBondContact O-CA 3.44Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.18Å; L125-W132 HydrophobicContact CB-CZ3 3.66Å; L125-W132 HydrophobicContact CD1-CD2 4.23Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.05Å; L125-W132 HydrophobicContact CD1-CZ2 4Å; L125-W132 HydrophobicContact CD1-CZ3 4.15Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; K126-W132 WeakPolarHBondContact CE-O 3.44Å; W132-Q143 HydrophobicContact CB-CG 4.02Å; W132-W146 AromaticContact CD2-CE3 3.97Å; W132-W146 HydrophobicContact CD2-CE3 3.97Å; W132-W146 AromaticContact CE2-CE3 3.75Å; W132-W146 AromaticContact CE3-CE3 3.83Å; W132-W146 HydrophobicContact CE3-CE3 3.83Å; W132-W146 AromaticContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CH2-CD2 4.36Å; W132-W146 AromaticContact CH2-CE3 3.2Å; W132-W146 HydrophobicContact CH2-CE3 3.2Å; W132-W146 HydrophobicContact CH2-CH2 4.41Å; W132-W146 AromaticContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CZ2-CB 4.49Å; W132-W146 HydrophobicContact CZ2-CD2 4.28Å; W132-W146 AromaticContact CZ2-CE3 3.38Å; W132-W146 HydrophobicContact CZ2-CE3 3.38Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CH2 4.5Å; W132-W146 AromaticContact CZ3-CZ3 3.25Å; W132-W146 HydrophobicContact CZ3-CZ3 3.25Å; W132-V151 HydrophobicContact CH2-CG1 4.43Å; W132-V151 HydrophobicContact CZ2-CB 4.25Å; W132-V151 HydrophobicContact CZ2-CG1 4.07Å; W132-A152 HydrophobicContact CZ2-CB 4.14Å; W132-L155 HydrophobicContact CH2-CD1 3.39Å; W132-L155 HydrophobicContact CZ2-CD1 3.95Å; W132-L155 HydrophobicContact CZ3-CD1 4.45Å
133T98.7Very high98.4Very high78 Ų7852.1 Ų52.148%0.47927%0.273SS..EExtended strand (participates in β ladder)trans-108.5114.1164.2-60.40000107.7I123 A124 K126I123-T133 WeakPolarHBondContact CA-O 3.33Å; A124-T133 PolarHBondContact N-O 2.04Å; A124-T133 PolarHBondContact O-N 3.07Å; K126-T133 WeakPolarHBondContact CE-OG1 3.34Å; K126-T133 WeakPolarHBondContact CG-OG1 3.12Å
134A98.7Very high98.4Very high23 Ų2359.1 Ų59.119%0.1930%0.299CS..EExtended strand (participates in β ladder)trans-94.8133173.300000110A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.73Å; A134-Q140 HydrophobicContact CB-CG 3.93Å; A134-Q143 HydrophobicContact CB-CB 4.42Å
135A98.5Very high98.4Very high61 Ų6163.3 Ų63.350%0.50431%0.312SS..SBendtrans-74.3-31.7-176.400000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.44Å; D121-A135 WeakPolarHBondContact O-CB 3.47Å; Y122-A135 WeakPolarHBondContact O-CB 3.33Å; Y122-A135 PolarHBondContact O-N 3.15Å
136D98.3Very high98.3Very high56 Ų5665.1 Ų65.130%0.29932%0.318SS..SBendtrans-151.6-175-178.166.328.5000113.1Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.39Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.06Å; Y84-D136 PolarHBondContact OH-OD2 3.04Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.87Å; D136-A138 WeakPolarHBondContact OD1-CA 3.35Å; D136-A138 WeakPolarHBondContact OD1-CB 3.43Å; D136-A138 PolarHBondContact OD1-N 2.91Å; D136-A139 PolarHBondContact O-N 2.98Å; D136-A139 PolarHBondContact OD1-N 2.61Å; D136-Q140 WeakPolarHBondContact O-CG 3.38Å; D136-Q140 PolarHBondContact O-N 3.01Å
137M98.1Very high98.3Very high130 Ų13065.4 Ų65.464%0.6432%0.32SS*.Hα-helixtrans-64.4-28.8-180-65.7-57.7-58.900113.6Q140M137-Q140 PolarHBondContact SD-OE1 2.97Å; M137-Q140 VanDerWaalsContact SD-OE1 3.4Å
138A98Very high98.4Very high9 Ų963.3 Ų63.37%0.07433%0.326CS..Hα-helixtrans-73.2-43176.100000110.3Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.48Å; Y84-A138 HydrophobicContact CE1-CB 3.68Å; Y84-A138 HydrophobicContact CE2-CB 3.94Å; Y122-A138 HydrophobicContact CE2-CB 4.5Å; Y122-A138 PolarHBondContact OH-O 3.43Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.87Å; D136-A138 WeakPolarHBondContact OD1-CA 3.35Å; D136-A138 WeakPolarHBondContact OD1-CB 3.43Å; D136-A138 PolarHBondContact OD1-N 2.91Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.35Å; A138-I141 WeakPolarHBondContact O-CB 3.46Å; A138-I141 PolarHBondContact O-N 3.48Å; A138-I141 VanDerWaalsContact O-N 3.1Å
139A98.5Very high98.4Very high0 Ų062.5 Ų62.50%033%0.33CS..Hα-helixtrans-61.9-33.5173.400000113Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.82Å; Y122-A139 HydrophobicContact CE1-CB 4.49Å; Y122-A139 VanDerWaalsContact CE2-CA 3.48Å; Y122-A139 HydrophobicContact CE2-CB 3.65Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 WeakPolarHBondContact O-CB 3.5Å; A134-A139 HydrophobicContact CB-CB 3.73Å; D136-A139 PolarHBondContact O-N 2.98Å; D136-A139 PolarHBondContact OD1-N 2.61Å; A139-I141 PolarHBondContact O-N 3.06Å; A139-T142 PolarHBondContact O-N 2.82Å; A139-T142 VanDerWaalsContact O-N 3.1Å; A139-Q143 PolarHBondContact O-N 3.09Å
140Q98.7Very high98.4Very high62 Ų6269.8 Ų69.829%0.2936%0.357SS..Hα-helixtrans-61.4-28173.8-74.117620.200113.2A134 D136 M137 A138 R144A134-Q140 HydrophobicContact CB-CG 3.93Å; D136-Q140 WeakPolarHBondContact O-CG 3.38Å; D136-Q140 PolarHBondContact O-N 3.01Å; M137-Q140 PolarHBondContact SD-OE1 2.97Å; M137-Q140 VanDerWaalsContact SD-OE1 3.4Å; A138-Q140 VanDerWaalsContact C-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.35Å; Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.38Å; Q140-R144 PolarHBondContact O-N 2.94Å; Q140-R144 VanDerWaalsContact O-N 3.1Å
141I98.5Very high98.4Very high63 Ų6363.1 Ų63.132%0.32334%0.335SS..Hα-helixtrans-65.2-46.1174.5-57.5171000109.4Y83 A138 A139 R144 K145Y83-I141 HydrophobicContact CD1-CD1 4.1Å; Y83-I141 HydrophobicContact CE1-CD1 4.26Å; Y83-I141 HydrophobicContact CE1-CG2 3.99Å; Y83-I141 HydrophobicContact CE2-CB 4.13Å; Y83-I141 HydrophobicContact CE2-CG2 4.13Å; Y83-I141 HydrophobicContact CG-CD1 4.23Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.43Å; A138-I141 WeakPolarHBondContact O-CB 3.46Å; A138-I141 PolarHBondContact O-N 3.48Å; A138-I141 VanDerWaalsContact O-N 3.1Å; A139-I141 PolarHBondContact O-N 3.06Å; I141-R144 PolarHBondContact O-N 2.84Å; I141-K145 WeakPolarHBondContact O-CG 3.34Å; I141-K145 PolarHBondContact O-N 3.12Å
142T98.5Very high98.5Very high16 Ų1662.1 Ų62.110%0.09833%0.328CS..Hα-helixtrans-65-44176.3-64.20000111.5Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.2Å; Y122-T142 WeakPolarHBondContact OH-CB 3.45Å; Y122-T142 PolarHBondContact OH-OG1 3.41Å; I123-T142 HydrophobicContact CD1-CG2 4.24Å; A139-T142 PolarHBondContact O-N 2.82Å; A139-T142 VanDerWaalsContact O-N 3.1Å; T142-R144 VanDerWaalsContact C-N 3.34Å; T142-R144 PolarHBondContact O-N 2.89Å; T142-K145 WeakPolarHBondContact O-CB 3.47Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-K145 VanDerWaalsContact O-N 3.08Å; T142-W146 HydrophobicContact CG2-CD2 3.9Å; T142-W146 HydrophobicContact CG2-CE3 4.44Å; T142-W146 HydrophobicContact CG2-CG 4.19Å; T142-W146 HydrophobicContact CG2-CZ2 4.08Å; T142-W146 PolarHBondContact O-N 2.87Å
143Q98.7Very high98.4Very high39 Ų3967.3 Ų67.318%0.18235%0.353CS..Hα-helixtrans-51.5-50.9174.7177.6176.65.300111.8I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.89Å; W132-Q143 HydrophobicContact CB-CG 4.02Å; A134-Q143 HydrophobicContact CB-CB 4.42Å; A139-Q143 PolarHBondContact O-N 3.09Å; Q143-K145 VanDerWaalsContact C-N 3.31Å; Q143-K145 PolarHBondContact O-N 2.93Å; Q143-W146 PolarHBondContact O-N 3.35Å; Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.31Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.01Å; Q143-E147 PolarHBondContact NE2-OE1 3.33Å; Q143-E147 WeakPolarHBondContact O-CB 3.33Å; Q143-E147 WeakPolarHBondContact O-CG 3.49Å; Q143-E147 PolarHBondContact O-N 3.08Å
144R98.7Very high98.4Very high151 Ų15170 Ų7057%0.5736%0.36SS*.Hα-helixtrans-60.5-39.5179.4-69.3170.2-164.9154.48.5112.4Q140 I141 T142 A148Q140-R144 VanDerWaalsContact O-CG 3.31Å; Q140-R144 WeakPolarHBondContact O-CG 3.38Å; Q140-R144 PolarHBondContact O-N 2.94Å; Q140-R144 VanDerWaalsContact O-N 3.1Å; I141-R144 PolarHBondContact O-N 2.84Å; T142-R144 VanDerWaalsContact C-N 3.34Å; T142-R144 PolarHBondContact O-N 2.89Å; R144-A148 WeakPolarHBondContact O-CB 3.36Å; R144-A148 PolarHBondContact O-N 3.46Å
145K98.4Very high98.3Very high118 Ų11870.1 Ų70.151%0.51336%0.357SS..Hα-helixtrans-64.7-45.5176.1-69-179.6178.7-177.60111.1Y83 I141 T142 Q143 A148 A149Y83-K145 WeakPolarHBondContact OH-CE 3.31Å; Y83-K145 PolarHBondContact OH-NZ 3.19Å; I141-K145 WeakPolarHBondContact O-CG 3.34Å; I141-K145 PolarHBondContact O-N 3.12Å; T142-K145 WeakPolarHBondContact O-CB 3.47Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-K145 VanDerWaalsContact O-N 3.08Å; Q143-K145 VanDerWaalsContact C-N 3.31Å; Q143-K145 PolarHBondContact O-N 2.93Å; K145-A148 PolarHBondContact O-N 3.1Å; K145-A149 WeakPolarHBondContact O-CB 3.25Å; K145-A149 PolarHBondContact O-N 2.87Å
146W98.4Very high98.4Very high53 Ų5370.8 Ų70.820%0.20135%0.347CS..Hα-helixtrans-69.5-35.8-178.5-76.211.4000112.8D115 I123 W132 T142 Q143 A149 R150 V151D115-W146 WeakPolarHBondContact OD2-CH2 2.99Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.34Å; I123-W146 HydrophobicContact CG2-CE3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.06Å; I123-W146 HydrophobicContact CG2-CZ3 3.76Å; W132-W146 AromaticContact CD2-CE3 3.97Å; W132-W146 HydrophobicContact CD2-CE3 3.97Å; W132-W146 AromaticContact CE2-CE3 3.75Å; W132-W146 AromaticContact CE3-CE3 3.83Å; W132-W146 HydrophobicContact CE3-CE3 3.83Å; W132-W146 AromaticContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CE3-CZ3 3.92Å; W132-W146 HydrophobicContact CH2-CD2 4.36Å; W132-W146 AromaticContact CH2-CE3 3.2Å; W132-W146 HydrophobicContact CH2-CE3 3.2Å; W132-W146 HydrophobicContact CH2-CH2 4.41Å; W132-W146 AromaticContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CH2-CZ3 3.24Å; W132-W146 HydrophobicContact CZ2-CB 4.49Å; W132-W146 HydrophobicContact CZ2-CD2 4.28Å; W132-W146 AromaticContact CZ2-CE3 3.38Å; W132-W146 HydrophobicContact CZ2-CE3 3.38Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CH2 4.5Å; W132-W146 AromaticContact CZ3-CZ3 3.25Å; W132-W146 HydrophobicContact CZ3-CZ3 3.25Å; T142-W146 HydrophobicContact CG2-CD2 3.9Å; T142-W146 HydrophobicContact CG2-CE3 4.44Å; T142-W146 HydrophobicContact CG2-CG 4.19Å; T142-W146 HydrophobicContact CG2-CZ2 4.08Å; T142-W146 PolarHBondContact O-N 2.87Å; Q143-W146 PolarHBondContact O-N 3.35Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 2.93Å; W146-R150 PolarHBondContact O-N 3.38Å; W146-V151 HydrophobicContact CB-CB 4Å; W146-V151 HydrophobicContact CB-CG2 3.92Å; W146-V151 HydrophobicContact CD2-CB 4.47Å; W146-V151 HydrophobicContact CD2-CG1 4.27Å; W146-V151 HydrophobicContact CE3-CG1 4.5Å; W146-V151 HydrophobicContact CG-CB 4.12Å; W146-V151 HydrophobicContact CG-CG1 4.42Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3Å
147E98.6Very high98.4Very high95 Ų9571.2 Ų71.244%0.44436%0.358SS..Hα-helixtrans-64.8-47.4171.8-74.2171.6174.100111.2Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.31Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.01Å; Q143-E147 PolarHBondContact NE2-OE1 3.33Å; Q143-E147 WeakPolarHBondContact O-CB 3.33Å; Q143-E147 WeakPolarHBondContact O-CG 3.49Å; Q143-E147 PolarHBondContact O-N 3.08Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 2.86Å; E147-R150 PolarHBondContact O-N 3.26Å; E147-R150 VanDerWaalsContact O-N 3.09Å
148A98.4Very high98.4Very high88 Ų8867.9 Ų67.973%0.72734%0.339SS*.Hα-helixtrans-61.3-36.417700000112.6R144 K145R144-A148 WeakPolarHBondContact O-CB 3.36Å; R144-A148 PolarHBondContact O-N 3.46Å; K145-A148 PolarHBondContact O-N 3.1Å
149A98.3Very high98.4Very high60 Ų6067.4 Ų67.450%0.49634%0.335SS..THydrogen-bonded Turntrans-87.10177.300000114.2K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.25Å; K145-A149 PolarHBondContact O-N 2.87Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 2.93Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 2.86Å; A149-V151 VanDerWaalsContact C-N 3.27Å; A149-V151 HydrophobicContact CB-CG2 4.04Å; A149-V151 PolarHBondContact O-N 3.1Å
150R98.1Very high98.4Very high157 Ų15771.3 Ų71.359%0.59235%0.354SS*.THydrogen-bonded Turntrans52.739.2-178.2-57-178.2174.5-153.73.6114.1W146 E147 A152 E153W146-R150 PolarHBondContact O-N 3.38Å; E147-R150 PolarHBondContact O-N 3.26Å; E147-R150 VanDerWaalsContact O-N 3.09Å; R150-A152 PolarHBondContact O-N 3.25Å; R150-E153 HydrophobicContact CB-CG 4.31Å; R150-E153 IonicContact NH1-OE1 3.51Å; R150-E153 PolarHBondContact NH1-OE1 3.28Å; R150-E153 IonicContact NH1-OE2 3.38Å; R150-E153 PolarHBondContact O-N 2.84Å; R150-E153 VanDerWaalsContact O-N 3.08Å
151V98.4Very high98.4Very high30 Ų3069.4 Ų69.418%0.18235%0.351CS..Hα-helixtrans-58.3-35.9-177.5176.20000111.9W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CH2-CG1 4.43Å; W132-V151 HydrophobicContact CZ2-CB 4.25Å; W132-V151 HydrophobicContact CZ2-CG1 4.07Å; W146-V151 HydrophobicContact CB-CB 4Å; W146-V151 HydrophobicContact CB-CG2 3.92Å; W146-V151 HydrophobicContact CD2-CB 4.47Å; W146-V151 HydrophobicContact CD2-CG1 4.27Å; W146-V151 HydrophobicContact CE3-CG1 4.5Å; W146-V151 HydrophobicContact CG-CB 4.12Å; W146-V151 HydrophobicContact CG-CG1 4.42Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3Å; A149-V151 VanDerWaalsContact C-N 3.27Å; A149-V151 HydrophobicContact CB-CG2 4.04Å; A149-V151 PolarHBondContact O-N 3.1Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 3.31Å; V151-Q154 PolarHBondContact O-N 2.87Å; V151-Q154 VanDerWaalsContact O-N 3.15Å; V151-L155 HydrophobicContact CG1-CD1 3.93Å; V151-L155 HydrophobicContact CG1-CG 4.29Å; V151-L155 PolarHBondContact O-N 2.86Å; V151-L155 VanDerWaalsContact O-N 3.07Å
152A98.5Very high98.4Very high8 Ų869.2 Ų69.27%0.06635%0.352CS..Hα-helixtrans-59.5-35178.200000112.9L125 W132 R150 Q154 L155 R156L125-A152 HydrophobicContact CD1-CB 3.91Å; W132-A152 HydrophobicContact CZ2-CB 4.14Å; R150-A152 PolarHBondContact O-N 3.25Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.39Å; A152-L155 PolarHBondContact O-N 3.02Å; A152-R156 VanDerWaalsContact O-CB 3.22Å; A152-R156 WeakPolarHBondContact O-CB 3.22Å; A152-R156 PolarHBondContact O-N 3.1Å
153E98.1Very high98.4Very high116 Ų11668.4 Ų68.454%0.54235%0.348SS..Hα-helixtrans-65.8-38.5178.1-65.1178-169.100111.5R150 V151 A157R150-E153 HydrophobicContact CB-CG 4.31Å; R150-E153 IonicContact NH1-OE1 3.51Å; R150-E153 PolarHBondContact NH1-OE1 3.28Å; R150-E153 IonicContact NH1-OE2 3.38Å; R150-E153 PolarHBondContact O-N 2.84Å; R150-E153 VanDerWaalsContact O-N 3.08Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 3.31Å; E153-A157 PolarHBondContact O-N 3.3Å; E153-A157 VanDerWaalsContact O-N 3.11Å
154Q97.5Very high98.4Very high135 Ų13566.8 Ų66.863%0.63134%0.34SS*.Hα-helixtrans-69.2-45.7177.9-59.3179.417.900111.4V151 A152 R156 A157 Y158V151-Q154 PolarHBondContact O-N 2.87Å; V151-Q154 VanDerWaalsContact O-N 3.15Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 3.39Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 3.36Å; Q154-A157 PolarHBondContact O-N 3.41Å; Q154-Y158 PolarHBondContact O-N 2.85Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å
155L98.2Very high98.4Very high25 Ų2565.6 Ų65.613%0.13134%0.341CS..Hα-helixtrans-62.8-42.4177-71.3171.4000111.3Q113 L125 W132 V151 A152 A157 Y158 L159Q113-L155 HydrophobicContact CB-CD1 4.08Å; Q113-L155 HydrophobicContact CG-CD1 3.71Å; Q113-L155 HydrophobicContact CG-CD2 4.34Å; L125-L155 HydrophobicContact CD2-CB 4.24Å; L125-L155 HydrophobicContact CD2-CD1 4.4Å; W132-L155 HydrophobicContact CH2-CD1 3.39Å; W132-L155 HydrophobicContact CZ2-CD1 3.95Å; W132-L155 HydrophobicContact CZ3-CD1 4.45Å; V151-L155 HydrophobicContact CG1-CD1 3.93Å; V151-L155 HydrophobicContact CG1-CG 4.29Å; V151-L155 PolarHBondContact O-N 2.86Å; V151-L155 VanDerWaalsContact O-N 3.07Å; A152-L155 PolarHBondContact O-N 3.02Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.87Å; L155-Y158 PolarHBondContact O-N 2.92Å; L155-L159 HydrophobicContact CB-CD1 4.5Å; L155-L159 WeakPolarHBondContact O-CB 3.38Å; L155-L159 WeakPolarHBondContact O-CG 3.13Å; L155-L159 PolarHBondContact O-N 2.89Å
156R98.6Very high98.4Very high75 Ų7563.8 Ų63.828%0.28333%0.331SS..Hα-helixtrans-58.7-44.7175.7-176.5171.8-178.5-132.7-14.5112L129 A152 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.06Å; L129-R156 HydrophobicContact CB-CG 3.9Å; L129-R156 HydrophobicContact CD1-CG 4.02Å; A152-R156 VanDerWaalsContact O-CB 3.22Å; A152-R156 WeakPolarHBondContact O-CB 3.22Å; A152-R156 PolarHBondContact O-N 3.1Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 3.36Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.37Å; R156-L159 PolarHBondContact O-N 2.62Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.6Å; R156-E160 IonicContact CZ-OE2 3.93Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 2.96Å; R156-E160 PolarHBondContact NE-OE1 3.2Å; R156-E160 IonicContact NE-OE2 3.25Å; R156-E160 PolarHBondContact NE-OE2 2.77Å; R156-E160 IonicContact NH2-OE1 3.33Å; R156-E160 PolarHBondContact NH2-OE1 3.13Å; R156-E160 IonicContact NH2-OE2 3.55Å; R156-E160 PolarHBondContact NH2-OE2 2.77Å; R156-E160 WeakPolarHBondContact O-CB 3.16Å; R156-E160 PolarHBondContact O-N 2.87Å
157A98.6Very high98.4Very high65 Ų6561.2 Ų61.254%0.53732%0.321SS..Hα-helixtrans-60.7-40.6177.200000112.2E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.3Å; E153-A157 VanDerWaalsContact O-N 3.11Å; Q154-A157 PolarHBondContact O-N 3.41Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.87Å; A157-G161 PolarHBondContact O-N 2.8Å; A157-G161 VanDerWaalsContact O-N 3.17Å
158Y98.4Very high98.4Very high60 Ų6062.3 Ų62.324%0.23532%0.321CS..Iπ-helixtrans-66.1-48.9174171.2-95.8000112.2Y98 Q154 L155 R156 G161 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.83Å; Y98-Y158 HydrophobicContact CD2-CE1 3.83Å; Y98-Y158 AromaticContact CE2-CE1 3.78Å; Y98-Y158 HydrophobicContact CE2-CE1 3.78Å; Y98-Y158 AromaticContact CE2-CZ 3.95Å; Q154-Y158 PolarHBondContact O-N 2.85Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å; L155-Y158 PolarHBondContact O-N 2.92Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.37Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 3.28Å; Y158-T162 HydrophobicContact CD2-CG2 3.95Å; Y158-T162 HydrophobicContact CE2-CG2 3.84Å; Y158-T162 PolarHBondContact O-N 2.92Å; Y158-T162 VanDerWaalsContact O-N 3.1Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.83Å; Y158-C163 WeakPolarHBondContact O-CB 3.33Å; Y158-C163 PolarHBondContact O-N 3.44Å
159L98.8Very high98.4Very high0 Ų063.5 Ų63.50%031%0.307CS..Iπ-helixtrans-68.3-41.6-173.5-70.2171.6000112.7G99 F108 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.3Å; F108-L159 HydrophobicContact CE2-CB 4.43Å; F108-L159 WeakPolarHBondContact CE2-O 3.27Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å; L129-L159 HydrophobicContact CD2-CD1 3.99Å; L155-L159 HydrophobicContact CB-CD1 4.5Å; L155-L159 WeakPolarHBondContact O-CB 3.38Å; L155-L159 WeakPolarHBondContact O-CG 3.13Å; L155-L159 PolarHBondContact O-N 2.89Å; R156-L159 PolarHBondContact O-N 2.62Å; L159-V164 WeakPolarHBondContact O-CG2 3.33Å
160E98.5Very high98.4Very high82 Ų8260.7 Ų60.738%0.38328%0.284SS..Iπ-helixtrans-79.7-23.1178.2-67.6-178.6167.300112.6F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.33Å; F108-E160 HydrophobicContact CE1-CG 4.19Å; F108-E160 HydrophobicContact CE2-CG 4.5Å; F108-E160 HydrophobicContact CZ-CG 4.27Å; L129-E160 HydrophobicContact CD1-CG 4.03Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 3.6Å; R156-E160 IonicContact CZ-OE2 3.93Å; R156-E160 VanDerWaalsContact NE-CD 3.33Å; R156-E160 IonicContact NE-OE1 2.96Å; R156-E160 PolarHBondContact NE-OE1 3.2Å; R156-E160 IonicContact NE-OE2 3.25Å; R156-E160 PolarHBondContact NE-OE2 2.77Å; R156-E160 IonicContact NH2-OE1 3.33Å; R156-E160 PolarHBondContact NH2-OE1 3.13Å; R156-E160 IonicContact NH2-OE2 3.55Å; R156-E160 PolarHBondContact NH2-OE2 2.77Å; R156-E160 WeakPolarHBondContact O-CB 3.16Å; R156-E160 PolarHBondContact O-N 2.87Å
161G98.4Very high98.4Very high22 Ų2253.9 Ų53.923%0.22726%0.259CS..Iπ-helixtrans-109-93.2-176.900000112.7A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 2.8Å; A157-G161 VanDerWaalsContact O-N 3.17Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 3.28Å; G161-C163 VanDerWaalsContact C-N 3.31Å; G161-C163 PolarHBondContact O-N 2.88Å; G161-V164 PolarHBondContact O-N 2.7Å; G161-E165 WeakPolarHBondContact O-CG 3.18Å; G161-E165 PolarHBondContact O-N 3.19Å
162T98.3Very high98.3Very high58 Ų5858.4 Ų58.436%0.35628%0.278SS..Iπ-helixtrans-51.8-44-171.6-570000113.4Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.95Å; Y158-T162 HydrophobicContact CE2-CG2 3.84Å; Y158-T162 PolarHBondContact O-N 2.92Å; Y158-T162 VanDerWaalsContact O-N 3.1Å; T162-V164 PolarHBondContact O-N 3.29Å; T162-E165 PolarHBondContact O-N 3.34Å; T162-W166 WeakPolarHBondContact O-CB 3.36Å; T162-W166 PolarHBondContact O-N 3.13Å
163C98.7Very high98.3Very high0 Ų060.4 Ų60.40%029%0.288CS..Hα-helixtrans-59.9-47.6179-1750000111.6M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.12Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 WeakPolarHBondContact CE-SG 3.34Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.31Å; C100-C163 PolarHBondContact N-SG 2.79Å; C100-C163 WeakPolarHBondContact SG-CB 3.41Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.91Å; Y158-C163 HydrophobicContact CD1-CB 4.28Å; Y158-C163 HydrophobicContact CE1-CB 3.83Å; Y158-C163 WeakPolarHBondContact O-CB 3.33Å; Y158-C163 PolarHBondContact O-N 3.44Å; G161-C163 VanDerWaalsContact C-N 3.31Å; G161-C163 PolarHBondContact O-N 2.88Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.42Å; C163-L167 PolarHBondContact O-N 3.05Å
164V98.7Very high98.2Very high5 Ų555 Ų553%0.0326%0.264CS..Hα-helixtrans-66.9-41.4-179.9173.10000111.3C100 V102 F108 L159 G161 T162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.37Å; V102-V164 HydrophobicContact CG1-CB 4.42Å; V102-V164 HydrophobicContact CG1-CG1 3.96Å; V102-V164 HydrophobicContact CG1-CG2 4.01Å; F108-V164 HydrophobicContact CB-CG2 4.09Å; F108-V164 HydrophobicContact CD2-CG2 3.68Å; F108-V164 HydrophobicContact CG-CG2 4.38Å; L159-V164 WeakPolarHBondContact O-CG2 3.33Å; G161-V164 PolarHBondContact O-N 2.7Å; T162-V164 PolarHBondContact O-N 3.29Å; V164-L167 PolarHBondContact O-N 3.46Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.44Å; V164-R168 PolarHBondContact O-N 3.08Å
165E98.5Very high98.1Very high126 Ų12653.8 Ų53.859%0.58926%0.256SS*.Hα-helixtrans-61.3-47.2178-71.6174.8173.200111.8G161 T162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.18Å; G161-E165 PolarHBondContact O-N 3.19Å; T162-E165 PolarHBondContact O-N 3.34Å; E165-R168 PolarHBondContact O-N 3Å; E165-R169 PolarHBondContact O-N 3.33Å; E165-R169 VanDerWaalsContact O-N 3.1Å
166W98.4Very high97.9Very high79 Ų7961.4 Ų61.430%0.29929%0.291SS..Hα-helixtrans-67.7-42.6177.2-81.7107.8000112.5M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.12Å; M4-W166 HydrophobicContact SD-CB 4.44Å; Y58-W166 AromaticContact CD2-CH2 3.45Å; Y58-W166 HydrophobicContact CD2-CH2 3.45Å; Y58-W166 VanDerWaalsContact CD2-CH2 3.45Å; Y58-W166 HydrophobicContact CD2-CZ2 4.01Å; Y58-W166 AromaticContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CD2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CE3 4.38Å; Y58-W166 AromaticContact CE2-CH2 3.78Å; Y58-W166 HydrophobicContact CE2-CH2 3.78Å; Y58-W166 HydrophobicContact CE2-CZ2 4.24Å; Y58-W166 AromaticContact CE2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CZ3 3.85Å; T162-W166 WeakPolarHBondContact O-CB 3.36Å; T162-W166 PolarHBondContact O-N 3.13Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.22Å; W166-R169 WeakPolarHBondContact O-CB 3.45Å; W166-R169 PolarHBondContact O-N 2.79Å; W166-R169 VanDerWaalsContact O-N 3.13Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CD2-CE1 4.48Å; W166-Y170 HydrophobicContact CE3-CD1 4.33Å; W166-Y170 AromaticContact CE3-CE1 3.4Å; W166-Y170 HydrophobicContact CE3-CE1 3.4Å; W166-Y170 HydrophobicContact CE3-CE2 4.36Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 AromaticContact CZ3-CE1 3.8Å; W166-Y170 HydrophobicContact CZ3-CE1 3.8Å; W166-Y170 WeakPolarHBondContact O-CD2 3.42Å; W166-Y170 VanDerWaalsContact O-CG 3.22Å; W166-Y170 PolarHBondContact O-N 2.86Å
167L98.7Very high97.6Very high0 Ų060 Ų600%029%0.29CS..Hα-helixtrans-57.6-45.1176174.553000111.1H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.36Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.11Å; M4-L167 HydrophobicContact CB-CG 4.26Å; M4-L167 HydrophobicContact CE-CB 4.49Å; M4-L167 HydrophobicContact SD-CB 4.46Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.21Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.23Å; C163-L167 VanDerWaalsContact O-CB 3.32Å; C163-L167 WeakPolarHBondContact O-CB 3.42Å; C163-L167 PolarHBondContact O-N 3.05Å; V164-L167 PolarHBondContact O-N 3.46Å; L167-R169 PolarHBondContact O-N 3.16Å; L167-Y170 PolarHBondContact O-N 2.85Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.13Å
168R98.3Very high97.4Very high117 Ų11757 Ų5744%0.44227%0.266SS..Hα-helixtrans-60.8-43.2175.5-72.3174.5-175.3168.42.1112.4G106 V164 E165 W166 L171 E172G106-R168 PolarHBondContact O-NE 3.44Å; G106-R168 PolarHBondContact O-NH2 3.48Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.44Å; V164-R168 PolarHBondContact O-N 3.08Å; E165-R168 PolarHBondContact O-N 3Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.22Å; R168-L171 PolarHBondContact O-N 3.3Å; R168-E172 PolarHBondContact O-N 3.27Å; R168-E172 VanDerWaalsContact O-N 3.08Å
169R97.9Very high97.1Very high113 Ų11358.2 Ų58.243%0.42627%0.273SS..Hα-helixtrans-60.7-44.8176.1178.1-178.9172.899.1-4.5111.2E54 E165 W166 L167 E172 N173E54-R169 VanDerWaalsContact CD-NH2 3.34Å; E54-R169 IonicContact OE1-CZ 2.72Å; E54-R169 IonicContact OE1-NE 3.62Å; E54-R169 PolarHBondContact OE1-NE 3.15Å; E54-R169 IonicContact OE1-NH2 3.69Å; E54-R169 PolarHBondContact OE1-NH2 3.34Å; E54-R169 VanDerWaalsContact OE1-NH2 3.13Å; E54-R169 IonicContact OE2-CZ 3Å; E54-R169 IonicContact OE2-NE 2.7Å; E54-R169 IonicContact OE2-NH2 2.68Å; E54-R169 PolarHBondContact OE2-NH2 2.9Å; E165-R169 PolarHBondContact O-N 3.33Å; E165-R169 VanDerWaalsContact O-N 3.1Å; W166-R169 WeakPolarHBondContact O-CB 3.45Å; W166-R169 PolarHBondContact O-N 2.79Å; W166-R169 VanDerWaalsContact O-N 3.13Å; L167-R169 PolarHBondContact O-N 3.16Å; R169-E172 PolarHBondContact O-N 2.78Å; R169-N173 VanDerWaalsContact O-CB 3.28Å; R169-N173 WeakPolarHBondContact O-CB 3.49Å; R169-N173 PolarHBondContact O-N 3.31Å; R169-N173 PolarHBondContact O-OD1 2.82Å
170Y98.3Very high96.9Very high1 Ų162 Ų620%0.00429%0.288CS..Hα-helixtrans-65.7-40.1178.6-61.3-26.3000112.3M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.71Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.49Å; F32-Y170 HydrophobicContact CD2-CE2 4.47Å; F32-Y170 HydrophobicContact CE2-CD2 4.36Å; F32-Y170 AromaticContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.85Å; F32-Y170 HydrophobicContact CZ-CE2 3.85Å; W50-Y170 HydrophobicContact CE3-CD1 4.32Å; W50-Y170 HydrophobicContact CE3-CG 4.49Å; W50-Y170 HydrophobicContact CH2-CD2 4.37Å; W50-Y170 HydrophobicContact CH2-CG 4.05Å; W50-Y170 AromaticContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD2 4.21Å; W50-Y170 HydrophobicContact CZ3-CE1 4.34Å; W50-Y170 AromaticContact CZ3-CG 3.55Å; W50-Y170 HydrophobicContact CZ3-CG 3.55Å; I51-Y170 HydrophobicContact CD1-CD1 3.9Å; I51-Y170 HydrophobicContact CD1-CE1 3.29Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.27Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.46Å; Y58-Y170 PolarHBondContact OH-OH 2.59Å; W166-Y170 HydrophobicContact CB-CE2 4.04Å; W166-Y170 HydrophobicContact CD2-CE1 4.48Å; W166-Y170 HydrophobicContact CE3-CD1 4.33Å; W166-Y170 AromaticContact CE3-CE1 3.4Å; W166-Y170 HydrophobicContact CE3-CE1 3.4Å; W166-Y170 HydrophobicContact CE3-CE2 4.36Å; W166-Y170 AromaticContact CE3-CZ 3.4Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.4Å; W166-Y170 AromaticContact CZ3-CE1 3.8Å; W166-Y170 HydrophobicContact CZ3-CE1 3.8Å; W166-Y170 WeakPolarHBondContact O-CD2 3.42Å; W166-Y170 VanDerWaalsContact O-CG 3.22Å; W166-Y170 PolarHBondContact O-N 2.86Å; L167-Y170 PolarHBondContact O-N 2.85Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 3.06Å; Y170-N173 PolarHBondContact O-N 2.93Å; Y170-G174 WeakPolarHBondContact O-CA 3.49Å; Y170-G174 PolarHBondContact O-N 3.16Å; Y170-L178 WeakPolarHBondContact O-CD1 3.38Å
171L98Very high96.8Very high14 Ų1460.7 Ų60.77%0.07329%0.285CS..Hα-helixtrans-62.8-34.5175.1-71.2169.3000112.8H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.7Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.33Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; L167-L171 HydrophobicContact CD1-CD1 3.9Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.38Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.13Å; R168-L171 PolarHBondContact O-N 3.3Å; L171-K175 VanDerWaalsContact O-CA 3.24Å; L171-K175 WeakPolarHBondContact O-CA 3.27Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 2.83Å; L171-L178 HydrophobicContact CD2-CB 4.11Å; L171-L178 HydrophobicContact CD2-CD1 4.41Å; L171-Q179 PolarHBondContact O-NE2 3.11Å
172E97.4Very high96.7Very high125 Ų12562 Ų6258%0.58429%0.288SS*.Hα-helixtrans-73.4-49.3174.1-172.859.5-15300111.1R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.27Å; R168-E172 VanDerWaalsContact O-N 3.08Å; R169-E172 PolarHBondContact O-N 2.78Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 3.06Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.31Å; E172-K175 WeakPolarHBondContact O-CB 3.49Å; E172-K175 PolarHBondContact O-N 2.97Å
173N97.4Very high96.7Very high51 Ų5162.4 Ų62.427%0.27329%0.291SS..Hα-helixtrans-59.8-39.7179.6-780.3000113.1Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 2.86Å; E54-N173 PolarHBondContact OE1-ND2 2.83Å; R169-N173 VanDerWaalsContact O-CB 3.28Å; R169-N173 WeakPolarHBondContact O-CB 3.49Å; R169-N173 PolarHBondContact O-N 3.31Å; R169-N173 PolarHBondContact O-OD1 2.82Å; Y170-N173 PolarHBondContact O-N 2.93Å
174G96.9Very high96.7Very high3 Ų362.8 Ų62.83%0.03129%0.294CS..THydrogen-bonded Turntrans-104.618.3-17600000113.7Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.49Å; Y170-G174 PolarHBondContact O-N 3.16Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.31Å; G174-E176 VanDerWaalsContact C-N 3.27Å; G174-E176 PolarHBondContact O-N 3.08Å; G174-E176 VanDerWaalsContact O-N 3.13Å; G174-T177 WeakPolarHBondContact O-CA 3.26Å; G174-T177 PolarHBondContact O-N 2.98Å; G174-T177 PolarHBondContact O-OG1 3.05Å; G174-L178 PolarHBondContact O-N 3.28Å
175K95.5Very high96.7Very high108 Ų10869.4 Ų69.447%0.4732%0.322SS..Hα-helixtrans-48.6-43.2-170.9-178.7172.1-174.8175.60114.4L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.24Å; L171-K175 WeakPolarHBondContact O-CA 3.27Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 2.83Å; E172-K175 WeakPolarHBondContact O-CB 3.49Å; E172-K175 PolarHBondContact O-N 2.97Å; K175-T177 PolarHBondContact O-N 3.22Å; K175-Q179 HydrophobicContact CG-CB 4.47Å; K175-Q179 HydrophobicContact CG-CG 4.41Å; K175-Q179 WeakPolarHBondContact O-CB 3.37Å; K175-Q179 PolarHBondContact O-N 2.93Å; K175-Q179 VanDerWaalsContact O-N 3.17Å
176E92.7Very high96.7Very high185 Ų18565.1 Ų65.186%0.86430%0.304SS*.Hα-helixtrans-63.3-24.9179.7-62.9-175.8168.700113.5G174G174-E176 VanDerWaalsContact C-N 3.27Å; G174-E176 PolarHBondContact O-N 3.08Å; G174-E176 VanDerWaalsContact O-N 3.13Å
177T92.8Very high96.6Very high45 Ų4565.1 Ų65.128%0.27631%0.308SS..Hα-helixtrans-106.4-40.6-177.853.50000113.6G174 K175 R180G174-T177 WeakPolarHBondContact O-CA 3.26Å; G174-T177 PolarHBondContact O-N 2.98Å; G174-T177 PolarHBondContact O-OG1 3.05Å; K175-T177 PolarHBondContact O-N 3.22Å; T177-R180 WeakPolarHBondContact O-CG 3.42Å
178L94.4Very high96.5Very high4 Ų466.7 Ų66.72%0.02132%0.315CS..Hα-helixtrans-87.8-24.9-172.7-62.9173.3000112.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.07Å; V27-L178 HydrophobicContact CG1-CD1 3.93Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å; T30-L178 HydrophobicContact CG2-CD2 3.98Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.36Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4.12Å; W50-L178 HydrophobicContact CZ2-CG 4.38Å; Y170-L178 WeakPolarHBondContact O-CD1 3.38Å; L171-L178 HydrophobicContact CD2-CB 4.11Å; L171-L178 HydrophobicContact CD2-CD1 4.41Å; G174-L178 PolarHBondContact O-N 3.28Å
179Q93Very high96.4Very high84 Ų8462.8 Ų62.839%0.39330%0.304SS..SBendtrans-10413.2176.4-55.8-178.929.900111.7L171 K175L171-Q179 PolarHBondContact O-NE2 3.11Å; K175-Q179 HydrophobicContact CG-CB 4.47Å; K175-Q179 HydrophobicContact CG-CG 4.41Å; K175-Q179 WeakPolarHBondContact O-CB 3.37Å; K175-Q179 PolarHBondContact O-N 2.93Å; K175-Q179 VanDerWaalsContact O-N 3.17Å
180R94.1Very high96.4Very high79 Ų7960.1 Ų60.130%0.29830%0.297SS..  trans-80.9153.4172.687.8-175179.4-146.2-7.7109.7T177 D182 Y208T177-R180 WeakPolarHBondContact O-CG 3.42Å; R180-D182 WeakPolarHBondContact CD-OD2 3.27Å; R180-D182 IonicContact CZ-OD2 3.31Å; R180-D182 IonicContact NE-OD2 2.81Å; R180-D182 PolarHBondContact NE-OD2 3.32Å; R180-Y208 HydrophobicContact CG-CD1 4.01Å; R180-Y208 HydrophobicContact CG-CE1 4.41Å; R180-Y208 WeakPolarHBondContact O-CD1 3.42Å
181T95.6Very high96.2Very high55 Ų5564.3 Ų64.334%0.33732%0.316SS..  trans-135.5113.9170.5-38.30000107.9P183 Y208 E263T181-P183 WeakPolarHBondContact O-CD 3.37Å; T181-Y208 WeakPolarHBondContact CA-O 3.31Å; T181-Y208 WeakPolarHBondContact CG2-O 3.39Å; T181-E263 HydrophobicContact CG2-CB 4.1Å; T181-E263 HydrophobicContact CG2-CG 4.25Å
182D97.4Very high96Very high51 Ų5167.4 Ų67.427%0.27334%0.344SS..BIsolated β-bridgetrans-99.2110.5-177.9-61.6-43.3000107.7R180 F207 Y208 H262R180-D182 WeakPolarHBondContact CD-OD2 3.27Å; R180-D182 IonicContact CZ-OD2 3.31Å; R180-D182 IonicContact NE-OD2 2.81Å; R180-D182 PolarHBondContact NE-OD2 3.32Å; D182-F207 WeakPolarHBondContact O-CA 3.36Å; D182-F207 WeakPolarHBondContact O-CB 3.28Å; D182-Y208 PolarHBondContact N-O 3.43Å; D182-Y208 PolarHBondContact O-N 3.09Å; D182-Y208 VanDerWaalsContact O-N 3.1Å; D182-H262 PolarHBondContact O-CE1 3.42Å
183P98.2Very high95.6Very high65 Ų6565.8 Ų65.842%0.42234%0.342SS..  trans-67147.1179.825.4-32.5000111.5T181 K185 L265T181-P183 WeakPolarHBondContact O-CD 3.37Å; P183-K185 PolarHBondContact O-N 2.6Å; P183-L265 HydrophobicContact CB-CD2 3.85Å; P183-L265 HydrophobicContact CB-CG 4.37Å
184P98.5Very high95.4Very high9 Ų965.8 Ų65.86%0.05835%0.346CS..  trans-63.9133.1179.527-35.3000111.8T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.06Å; P184-T186 HydrophobicContact CG-CG2 4.21Å; P184-T186 PolarHBondContact O-N 3.26Å; P184-A204 HydrophobicContact CB-CB 3.83Å; P184-F207 HydrophobicContact CB-CB 3.88Å; P184-F207 HydrophobicContact CB-CD1 4.02Å; P184-F207 HydrophobicContact CB-CG 4.22Å; P184-I212 HydrophobicContact CB-CD1 3.95Å; P184-I212 HydrophobicContact CG-CD1 4.01Å; P184-V260 HydrophobicContact CG-CG1 3.89Å; P184-H262 HydrophobicContact CG-CB 4.04Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CD2 4.49Å; P184-L265 HydrophobicContact CG-CG 4.27Å
185K98.4Very high95.1Very high144 Ų14472.8 Ų72.863%0.62638%0.383SS*.EExtended strand (participates in β ladder)trans-78.3106.7163.2-66.2175.9-174.6167.30107.9P183 L205P183-K185 PolarHBondContact O-N 2.6Å; K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 2.9Å; K185-L205 PolarHBondContact O-N 3.22Å
186T98.3Very high95Very high36 Ų3674.6 Ų74.622%0.22139%0.392CS..EExtended strand (participates in β ladder)trans-102.5139.4-175.159.50000112.4P184 W203 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.06Å; P184-T186 HydrophobicContact CG-CG2 4.21Å; P184-T186 PolarHBondContact O-N 3.26Å; T186-W203 WeakPolarHBondContact CA-O 3.32Å; T186-V260 HydrophobicContact CG2-CB 4.36Å; T186-V260 HydrophobicContact CG2-CG1 4.11Å; T186-V260 HydrophobicContact CG2-CG2 4.01Å; T186-L269 HydrophobicContact CG2-CD1 4.2Å; T186-L271 HydrophobicContact CG2-CD1 4.13Å
187H96.5Very high95.2Very high79 Ų7970.2 Ų70.237%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-151.1166.5169.668.9-78000110.2W203H187-W203 AromaticContact CD2-CD1 4Å; H187-W203 WeakPolarHBondContact CE1-CB 3.31Å; H187-W203 AromaticContact CE1-CD1 3.82Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 3.37Å; H187-W203 AromaticContact NE2-CD1 3.45Å; H187-W203 AromaticContact NE2-CG 3.64Å; H187-W203 PolarHBondContact O-N 3.28Å
188M96.8Very high95.3Very high33 Ų3368.1 Ų68.116%0.16336%0.359CS..EExtended strand (participates in β ladder)trans-116.5141.6176.9-75.6-177.647.200111.1L200 R201 W216 L271 W273M188-L200 HydrophobicContact CE-CD1 4.39Å; M188-R201 CarbonylContact C-O 3.58Å; M188-R201 VanDerWaalsContact CA-O 3.3Å; M188-R201 WeakPolarHBondContact CA-O 3.32Å; M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.41Å; M188-W216 HydrophobicContact CE-CZ3 4.29Å; M188-W216 HydrophobicContact SD-CH2 4.09Å; M188-L271 HydrophobicContact CG-CB 4.34Å; M188-L271 HydrophobicContact SD-CB 3.77Å; M188-W273 HydrophobicContact CE-CB 3.57Å
189T96.9Very high95.5Very high34 Ų3469 Ų6921%0.20937%0.365CS..EExtended strand (participates in β ladder)trans-118.1145.2169.568.20000110.1H191 R201 W203T189-H191 PolarHBondContact OG1-NE2 2.82Å; T189-R201 PolarHBondContact N-O 2.97Å; T189-R201 PolarHBondContact O-N 3.2Å; T189-W203 PolarHBondContact OG1-NE1 2.73Å
190H96.7Very high95.8Very high58 Ų5865 Ų6527%0.26935%0.346SS..EExtended strand (participates in β ladder)trans-119.1127178167.4-78.9000108.5A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.12Å; H190-T199 WeakPolarHBondContact CA-O 3.41Å; H190-L200 HydrophobicContact CB-CD2 4.11Å; H190-W273 HydrophobicContact CB-CD2 4.15Å; H190-W273 HydrophobicContact CB-CG 4.35Å; H190-W273 HydrophobicContact CB-CZ2 3.92Å; H190-W273 AromaticContact CD2-CE2 3.91Å; H190-W273 AromaticContact CD2-CH2 3.81Å; H190-W273 AromaticContact CD2-CZ2 3.78Å; H190-W273 AromaticContact CG-CE2 3.74Å; H190-W273 AromaticContact CG-CZ2 3.64Å; H190-W273 AromaticContact NE2-CH2 3.95Å
191H94.9Very high96Very high89 Ų8963.7 Ų63.741%0.41234%0.341SS..EExtended strand (participates in β ladder)trans-128.1112178.5-58.4-74.5000109.3T189 V193 A198 T199T189-H191 PolarHBondContact OG1-NE2 2.82Å; H191-V193 PolarHBondContact O-N 3.39Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 VanDerWaalsContact O-CA 3.3Å; H191-A198 WeakPolarHBondContact O-CA 3.33Å; H191-T199 PolarHBondContact N-O 3.23Å; H191-T199 PolarHBondContact O-N 3.18Å
192A92.7Very high96.1Very high79 Ų7961 Ų6165%0.65333%0.325SS*.EExtended strand (participates in β ladder)trans-65126.3173.100000109.6
193V90.8Very high96.2Very high90 Ų9060.8 Ų60.855%0.54532%0.32SS..  trans-98.3-40.6177.8-179.50000109.8H191 E197 T199H191-V193 PolarHBondContact O-N 3.39Å; V193-E197 PolarHBondContact N-O 3.05Å; V193-T199 VanDerWaalsContact CG2-OG1 3.31Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.36Å
194S92.6Very high96.2Very high52 Ų5257.7 Ų57.736%0.36430%0.3SS..SBendtrans-148.8-179.5174.271.90000110.2H196 E197S194-H196 PolarHBondContact O-N 3.36Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 3.26Å; S194-E197 PolarHBondContact N-O 2.95Å; S194-E197 PolarHBondContact O-N 3.32Å; S194-E197 VanDerWaalsContact O-O 3.07Å; S194-E197 PolarHBondContact OG-N 2.96Å
195D90.4Very high96.2Very high149 Ų14959.6 Ų59.680%0.79731%0.309SS*.SBendtrans-62-20172.8-65.8-20.2000112.6S250D195-S250 PolarHBondContact O-OG 3.27Å; D195-S250 VanDerWaalsContact O-OG 3.07Å
196H93.8Very high96.2Very high146 Ų14654.7 Ų54.768%0.67629%0.293SS*.SBendtrans-106.1-15.3-174.9-55.7-48.1000114S194 P249 S250S194-H196 PolarHBondContact O-N 3.36Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 3.26Å; H196-P249 CarbonylContact O-C 3.54Å; H196-P249 WeakPolarHBondContact O-CA 3.09Å; H196-S250 PolarHBondContact O-N 2.84Å; H196-S250 PolarHBondContact O-OG 3.37Å
197E95.8Very high96.2Very high93 Ų9353 Ų5344%0.43528%0.283SS..EExtended strand (participates in β ladder)trans-143.4144.4-171.2-66-178.7161.800112.8V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 3.05Å; S194-E197 PolarHBondContact N-O 2.95Å; S194-E197 PolarHBondContact O-N 3.32Å; S194-E197 VanDerWaalsContact O-O 3.07Å; S194-E197 PolarHBondContact OG-N 2.96Å; E197-V247 HydrophobicContact CB-CG1 4.01Å; E197-V247 HydrophobicContact CG-CG1 4.24Å; E197-V248 WeakPolarHBondContact CA-O 3.33Å; E197-S250 PolarHBondContact N-OG 3.3Å
198A96.6Very high96.2Very high1 Ų149.4 Ų49.41%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-131.5153.317100000110.9H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.12Å; H191-A198 CarbonylContact O-C 3.54Å; H191-A198 VanDerWaalsContact O-CA 3.3Å; H191-A198 WeakPolarHBondContact O-CA 3.33Å; A198-V247 WeakPolarHBondContact O-CA 3.46Å; A198-V248 HydrophobicContact CB-CG2 4.4Å; A198-V248 PolarHBondContact N-O 3.3Å; A198-V248 WeakPolarHBondContact O-CG2 3.42Å; A198-V248 PolarHBondContact O-N 2.61Å
199T97.9Very high96.3Very high22 Ų2248.8 Ų48.814%0.13527%0.265CS..EExtended strand (participates in β ladder)trans-94.7121.9168.5-54.90000109.1H190 H191 V193 V246H190-T199 WeakPolarHBondContact CA-O 3.41Å; H191-T199 PolarHBondContact N-O 3.23Å; H191-T199 PolarHBondContact O-N 3.18Å; V193-T199 VanDerWaalsContact CG2-OG1 3.31Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.36Å; T199-V246 WeakPolarHBondContact CA-O 3.44Å
200L98.3Very high96.3Very high0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-94126.5164.8-62.3-177.6000108.7M188 H190 W216 S245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CD1 4.39Å; H190-L200 HydrophobicContact CB-CD2 4.11Å; L200-W216 HydrophobicContact CB-CH2 3.62Å; L200-W216 HydrophobicContact CB-CZ2 3.84Å; L200-W216 HydrophobicContact CB-CZ3 4.46Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.25Å; L200-S245 CarbonylContact O-C 3.57Å; L200-S245 WeakPolarHBondContact O-CA 3.42Å; L200-S245 WeakPolarHBondContact O-CB 3.43Å; L200-V246 HydrophobicContact CB-CG2 4.27Å; L200-V246 PolarHBondContact N-O 3.42Å; L200-V246 PolarHBondContact O-N 2.84Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.01Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; L200-E253 HydrophobicContact CD1-CB 4.1Å; L200-E253 HydrophobicContact CD1-CG 4.47Å; L200-E253 HydrophobicContact CD2-CB 4.5Å; L200-E253 HydrophobicContact CD2-CG 4.29Å; L200-W273 HydrophobicContact CD2-CB 4.1Å; L200-W273 HydrophobicContact CD2-CD2 4.45Å; L200-W273 HydrophobicContact CD2-CG 4.17Å
201R98.4Very high96.4Very high52 Ų5252.2 Ų52.220%0.19628%0.281CS..EExtended strand (participates in β ladder)trans-120.3123.5175.9-174.1175.8-69.1123.9-0.2110.4M188 T189 W203 W243M188-R201 CarbonylContact C-O 3.58Å; M188-R201 VanDerWaalsContact CA-O 3.3Å; M188-R201 WeakPolarHBondContact CA-O 3.32Å; T189-R201 PolarHBondContact N-O 2.97Å; T189-R201 PolarHBondContact O-N 3.2Å; R201-W203 VanDerWaalsContact CD-CE2 3.4Å; R201-W203 VanDerWaalsContact CD-CZ2 3.43Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.46Å; R201-W243 HydrophobicContact CG-CB 3.95Å; R201-W243 HydrophobicContact CG-CD2 4.17Å; R201-W243 HydrophobicContact CG-CE3 4Å; R201-W243 HydrophobicContact CG-CG 4.21Å
202C98.4Very high96.5Very high0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-96.3121.7174.3-174.70000109.4W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.72Å; C202-W243 CarbonylContact O-C 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.48Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.44Å; C202-A244 PolarHBondContact N-O 3.19Å; C202-A244 PolarHBondContact O-N 3.14Å; C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 2.93Å; C202-C258 WeakPolarHBondContact SG-CB 3.49Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.06Å
203W98.6Very high96.8Very high46 Ų4647.3 Ų47.317%0.17425%0.249CC..EExtended strand (participates in β ladder)trans-104.5141.4-179.8-70.689.4000110.7T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.32Å; H187-W203 AromaticContact CD2-CD1 4Å; H187-W203 WeakPolarHBondContact CE1-CB 3.31Å; H187-W203 AromaticContact CE1-CD1 3.82Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 3.37Å; H187-W203 AromaticContact NE2-CD1 3.45Å; H187-W203 AromaticContact NE2-CG 3.64Å; H187-W203 PolarHBondContact O-N 3.28Å; T189-W203 PolarHBondContact OG1-NE1 2.73Å; R201-W203 VanDerWaalsContact CD-CE2 3.4Å; R201-W203 VanDerWaalsContact CD-CZ2 3.43Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.46Å; W203-L205 HydrophobicContact CE3-CD2 3.9Å; W203-L205 HydrophobicContact CZ3-CD2 4.42Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.87Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 AromaticContact CH2-NE1 4Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.1Å
204A98.7Very high97.2Very high0 Ų043.3 Ų43.30%023%0.225CC..EExtended strand (participates in β ladder)trans-124.5122162.800000107.9P184 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.83Å; A204-F207 HydrophobicContact CB-CD1 4.09Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.46Å; A204-I212 HydrophobicContact CB-CD1 3.59Å; A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.13Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.46Å; A204-K242 PolarHBondContact N-O 2.93Å; A204-K242 PolarHBondContact O-N 2.85Å; A204-K242 VanDerWaalsContact O-O 3.09Å
205L98.5Very high97.4Very high48 Ų4842.7 Ų42.725%0.25122%0.219SC..EExtended strand (participates in β ladder)trans-127.2155.1-175.9-59.7178.8000111.1K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 2.9Å; K185-L205 PolarHBondContact O-N 3.22Å; W203-L205 HydrophobicContact CE3-CD2 3.9Å; W203-L205 HydrophobicContact CZ3-CD2 4.42Å; L205-F207 VanDerWaalsContact C-N 3.3Å; L205-F207 PolarHBondContact O-N 3.37Å; L205-Q241 HydrophobicContact CD2-CB 3.59Å
206S97.8Very high97.8Very high41 Ų4135.7 Ų35.729%0.28718%0.181SC..EExtended strand (participates in β ladder)trans55.540.6170.6-55.30000114T239 F240S206-T239 WeakPolarHBondContact CA-OG1 3.47Å; S206-F240 PolarHBondContact N-O 2.92Å
207F98.4Very high98Very high0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-105.4154.8177.561.2-89.7000112.6D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 WeakPolarHBondContact O-CA 3.36Å; D182-F207 WeakPolarHBondContact O-CB 3.28Å; P184-F207 HydrophobicContact CB-CB 3.88Å; P184-F207 HydrophobicContact CB-CD1 4.02Å; P184-F207 HydrophobicContact CB-CG 4.22Å; A204-F207 HydrophobicContact CB-CD1 4.09Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.46Å; L205-F207 VanDerWaalsContact C-N 3.3Å; L205-F207 PolarHBondContact O-N 3.37Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.27Å; F207-I212 HydrophobicContact CD1-CD1 3.88Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.81Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.96Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.98Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.52Å; F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.82Å; F207-T239 CarbonylContact O-C 3.52Å; F207-T239 WeakPolarHBondContact O-CA 3.45Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.32Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.18Å; F207-F240 WeakPolarHBondContact CE1-O 3.37Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.44Å; F207-F240 HydrophobicContact CG-CB 4.44Å; F207-F240 HydrophobicContact CZ-CB 3.59Å; F207-F240 PolarHBondContact N-O 3.42Å; F207-F240 PolarHBondContact O-N 3.15Å; F207-K242 HydrophobicContact CE1-CB 4.32Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.84Å; F207-H262 AromaticContact CD2-NE2 3.76Å
208Y97.9Very high98.1Very high4 Ų429.8 Ų29.82%0.01615%0.151CC..BIsolated β-bridgetrans-152.2135.2174.1178.8-85.3000108.9D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.91Å; T30-Y208 PolarHBondContact OG1-OH 2.98Å; T30-Y208 VanDerWaalsContact OG1-OH 3.09Å; R180-Y208 HydrophobicContact CG-CD1 4.01Å; R180-Y208 HydrophobicContact CG-CE1 4.41Å; R180-Y208 WeakPolarHBondContact O-CD1 3.42Å; T181-Y208 WeakPolarHBondContact CA-O 3.31Å; T181-Y208 WeakPolarHBondContact CG2-O 3.39Å; D182-Y208 PolarHBondContact N-O 3.43Å; D182-Y208 PolarHBondContact O-N 3.09Å; D182-Y208 VanDerWaalsContact O-N 3.1Å; Y208-G238 WeakPolarHBondContact CD2-O 3.32Å; Y208-F240 HydrophobicContact CD2-CE2 4.06Å; Y208-H262 PolarHBondContact O-CE1 3Å; Y208-H262 PolarHBondContact O-NE2 2.98Å
209P97.3Very high98.1Very high21 Ų2134.4 Ų34.414%0.13618%0.175CC..SBendcis-72.5-177.73.231-36.7000114D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.49Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.27Å; P209-E211 VanDerWaalsContact C-N 3.28Å; P209-E211 PolarHBondContact O-N 2.83Å; P209-H262 PolarHBondContact O-NE2 3.29Å
210A97.8Very high98Very high18 Ų1835.6 Ų35.615%0.14919%0.193CC..SBendtrans-69.6-23.1-176.500000113.9D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.48Å; D29-A210 PolarHBondContact OD2-N 2.82Å; A210-I212 PolarHBondContact O-N 3.44Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.67Å; A210-F240 HydrophobicContact CB-CG 3.82Å; A210-F240 HydrophobicContact CB-CZ 3.66Å
211E98.1Very high97.9Very high145 Ų14542.5 Ų42.568%0.67823%0.225SC*.  trans-67.3117-178.4-172.857.2-142.200110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.28Å; P209-E211 PolarHBondContact O-N 2.83Å; E211-H262 PolarHBondContact O-CD2 2.75Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å
212I98.5Very high97.9Very high10 Ų1044.5 Ų44.55%0.05124%0.239CC..  trans-152.7143.4-178.7-163.3171.6000109.7P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.95Å; P184-I212 HydrophobicContact CG-CD1 4.01Å; A204-I212 HydrophobicContact CB-CD1 3.59Å; F207-I212 HydrophobicContact CD1-CD1 3.88Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 4Å; F207-I212 HydrophobicContact CE1-CD1 3.81Å; F207-I212 HydrophobicContact CE1-CG2 4.4Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.96Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.57Å; F207-I212 HydrophobicContact CG-CD1 3.98Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.88Å; F207-I212 HydrophobicContact CZ-CG2 3.52Å; A210-I212 PolarHBondContact O-N 3.44Å; I212-L214 HydrophobicContact CB-CD1 4.47Å; I212-L214 HydrophobicContact CD1-CD1 3.63Å; I212-L214 HydrophobicContact CG1-CD1 3.64Å; I212-L214 HydrophobicContact CG2-CD1 4.1Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.63Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; I212-Q261 VanDerWaalsContact CG1-O 3.27Å; I212-Q261 WeakPolarHBondContact CG1-O 3.18Å; I212-H262 HydrophobicContact CD1-CB 4.43Å; I212-H262 HydrophobicContact CG1-CB 4.16Å
213T98.4Very high97.8Very high55 Ų5545.8 Ų45.834%0.33725%0.245SC..EExtended strand (participates in β ladder)trans-114.2122.7172.9-620000110.2T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.96Å; T213-V260 WeakPolarHBondContact O-CA 3.37Å; T213-Q261 PolarHBondContact N-O 2.73Å; T213-Q261 PolarHBondContact O-N 3.06Å
214L98.4Very high97.6Very high7 Ų748.9 Ų48.94%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-116.7122.6171.3-85.862.6000108.1A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.96Å; A204-L214 HydrophobicContact CB-CD2 4.13Å; I212-L214 HydrophobicContact CB-CD1 4.47Å; I212-L214 HydrophobicContact CD1-CD1 3.63Å; I212-L214 HydrophobicContact CG1-CD1 3.64Å; I212-L214 HydrophobicContact CG2-CD1 4.1Å; L214-L229 HydrophobicContact CB-CD1 4.22Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CG 4.41Å; L214-A244 HydrophobicContact CB-CB 4.03Å; L214-A244 HydrophobicContact CD2-CB 4.33Å; L214-H259 WeakPolarHBondContact CA-O 3.34Å; L214-V260 HydrophobicContact CD1-CG1 4.12Å; L214-V260 HydrophobicContact CG-CG2 4.36Å
215T98.3Very high97.5Very high38 Ų3857.9 Ų57.923%0.23331%0.311CS..EExtended strand (participates in β ladder)trans-133.3146.617946.80000110.7T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.96Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.27Å; T215-H259 PolarHBondContact N-O 3.34Å; T215-H259 PolarHBondContact O-N 2.93Å; T215-H259 WeakPolarHBondContact OG1-CB 3.4Å
216W98.4Very high97.3Very high2 Ų261 Ų611%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-105135.7171.3-83.4104.1000109.9M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.41Å; M188-W216 HydrophobicContact CE-CZ3 4.29Å; M188-W216 HydrophobicContact SD-CH2 4.09Å; L200-W216 HydrophobicContact CB-CH2 3.62Å; L200-W216 HydrophobicContact CB-CZ2 3.84Å; L200-W216 HydrophobicContact CB-CZ3 4.46Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.25Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; W216-Q223 HydrophobicContact CB-CB 4.28Å; W216-Q223 PolarHBondContact O-N 3.22Å; W216-A244 PolarHBondContact NE1-O 3.17Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.5Å; W216-V246 HydrophobicContact CD2-CG1 4.27Å; W216-V246 HydrophobicContact CD2-CG2 3.63Å; W216-V246 HydrophobicContact CE3-CG2 3.93Å; W216-V246 HydrophobicContact CG-CB 4.42Å; W216-V246 HydrophobicContact CG-CG1 3.61Å; W216-V246 HydrophobicContact CG-CG2 3.91Å; W216-V246 HydrophobicContact CH2-CG2 4.46Å; W216-V246 HydrophobicContact CZ2-CG2 4.23Å; W216-V246 HydrophobicContact CZ3-CG2 4.35Å; W216-T257 WeakPolarHBondContact CA-O 3.47Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.08Å; W216-C258 HydrophobicContact CZ2-CB 4.08Å; W216-C258 HydrophobicContact CZ3-CB 4.11Å
217Q98.4Very high97.2Very high43 Ų4360.3 Ų60.320%0.20132%0.322CS..EExtended strand (participates in β ladder)trans-119.8146171.2-69.9-174.4-9.100110.4E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 WeakPolarHBondContact CA-O 3.25Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.32Å; Q217-D222 PolarHBondContact NE2-OD1 3.42Å; Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.43Å; Q217-T257 PolarHBondContact N-O 2.7Å; Q217-T257 PolarHBondContact O-N 3.38Å; Q217-H259 PolarHBondContact OE1-CE1 2.92Å; Q217-H259 PolarHBondContact OE1-NE2 2.66Å
218R97.9Very high97.2Very high72 Ų7265.6 Ų65.627%0.27235%0.347SS..EExtended strand (participates in β ladder)trans-117.9118.1168.2-175.8-172.1-178.1173.3-0.1108.2G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.14Å; R218-E221 PolarHBondContact N-O 3.2Å; R218-E221 PolarHBondContact O-N 3.27Å; R218-Q223 HydrophobicContact CB-CG 3.92Å; R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.41Å; R218-Y256 HydrophobicContact CB-CD1 3.98Å; R218-Y256 HydrophobicContact CB-CE1 3.75Å; R218-Y256 WeakPolarHBondContact CD-OH 3.18Å; R218-Y256 HydrophobicContact CG-CD1 4.3Å; R218-Y256 HydrophobicContact CG-CE1 3.88Å; R218-Y256 HydrophobicContact CG-CE2 4.18Å; R218-Y256 PolarHBondContact NE-OH 3.28Å; R218-Y256 PolarHBondContact NH1-OH 3.01Å
219D96.8Very high97.2Very high98 Ų9869.7 Ų69.752%0.52437%0.369SS..THydrogen-bonded Turntrans5129-174.7-50.2-57.3000114R255D219-R255 PolarHBondContact N-O 3.48Å; D219-R255 WeakPolarHBondContact OD1-CB 3.08Å; D219-R255 WeakPolarHBondContact OD1-CG 3.32Å; D219-R255 IonicContact OD1-NE 3.8Å; D219-R255 PolarHBondContact OD1-NE 3.06Å; D219-R255 VanDerWaalsContact OD1-NE 3.16Å; D219-R255 IonicContact OD2-CZ 3.16Å; D219-R255 IonicContact OD2-NE 2.61Å; D219-R255 PolarHBondContact OD2-NE 3.25Å; D219-R255 IonicContact OD2-NH2 3.1Å; D219-R255 PolarHBondContact OD2-NH2 2.89Å
220G94.4Very high97.2Very high48 Ų4870.2 Ų70.250%0.49537%0.371SS..THydrogen-bonded Turntrans92.2-1.4-178.200000115.6R218R218-G220 PolarHBondContact O-N 3.14Å
221E97.5Very high97.2Very high145 Ų14577.5 Ų77.568%0.67840%0.403SS*.EExtended strand (participates in β ladder)trans-100.1129.5177.4-63.5-172.717200112.1Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.52Å; Q217-E221 WeakPolarHBondContact CA-O 3.25Å; R218-E221 PolarHBondContact N-O 3.2Å; R218-E221 PolarHBondContact O-N 3.27Å; E221-Q223 PolarHBondContact O-NE2 3.19Å
222D97.4Very high97.2Very high93 Ų9372.8 Ų72.850%0.49738%0.384SS..EExtended strand (participates in β ladder)trans-61.7134.1-179.2-69.3-17.1000112.4Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.32Å; Q217-D222 PolarHBondContact NE2-OD1 3.42Å
223Q97.2Very high97.2Very high27 Ų2776.7 Ų76.713%0.12640%0.398CS..  trans-104.340.8-177.4-57.7-60.7-74.100111.9W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.28Å; W216-Q223 PolarHBondContact O-N 3.22Å; R218-Q223 HydrophobicContact CB-CG 3.92Å; E221-Q223 PolarHBondContact O-NE2 3.19Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.47Å; Q223-D226 PolarHBondContact O-N 2.93Å; Q223-D226 VanDerWaalsContact O-N 3.16Å; Q223-T227 WeakPolarHBondContact O-CB 3.18Å; Q223-T227 PolarHBondContact O-N 3.03Å; Q223-T227 PolarHBondContact O-OG1 2.91Å; Q223-V246 HydrophobicContact CB-CG1 4.4Å; Q223-Y256 HydrophobicContact CG-CE1 4.42Å
224T94.5Very high97.1Very high111 Ų11178.5 Ų78.568%0.68141%0.41SS*.THydrogen-bonded Turntrans-58.6-36.4-170.1-48.60000113.7
225Q95.1Very high97.1Very high189 Ų18980.5 Ų80.588%0.88343%0.428SS*.THydrogen-bonded Turntrans-75.5-30.1-179.4-66.4-174.8-2.900113Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.47Å
226D94Very high96.9Very high114 Ų11482.4 Ų82.461%0.6146%0.455SS*.THydrogen-bonded Turntrans-96-1.2-177.1-56.7-56.5000112.6Q223Q223-D226 PolarHBondContact O-N 2.93Å; Q223-D226 VanDerWaalsContact O-N 3.16Å
227T97.4Very high96.7Very high26 Ų2687.2 Ų87.216%0.1648%0.481CS..EExtended strand (participates in β ladder)trans-91.8119.7179.6-62.50000110.7Q223 L229 A244 S245 V246Q223-T227 WeakPolarHBondContact O-CB 3.18Å; Q223-T227 PolarHBondContact O-N 3.03Å; Q223-T227 PolarHBondContact O-OG1 2.91Å; T227-L229 HydrophobicContact CG2-CB 4.35Å; T227-L229 PolarHBondContact O-N 2.98Å; T227-A244 HydrophobicContact CG2-CB 3.91Å; T227-S245 CarbonylContact C-O 3.57Å; T227-S245 WeakPolarHBondContact CA-O 3.46Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å
228E97.7Very high96.4Very high112 Ų11287.1 Ų87.152%0.52349%0.491SS..EExtended strand (participates in β ladder)trans-77.3112.1161.9-173.2-175-173.800108.7W243 A244 S245E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 VanDerWaalsContact CD-CH2 3.41Å; E228-W243 HydrophobicContact CG-CH2 3.89Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.49Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 VanDerWaalsContact O-CA 3.32Å; E228-A244 WeakPolarHBondContact O-CA 3.24Å; E228-S245 PolarHBondContact N-O 3.44Å; E228-S245 PolarHBondContact O-N 2.87Å; E228-S245 PolarHBondContact OE2-OG 2.88Å
229L97.6Very high96.4Very high90 Ų9084.3 Ų84.347%0.47148%0.482SS..EExtended strand (participates in β ladder)trans-117.8119.5-179.6-173.368.6000109.8L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.22Å; T227-L229 HydrophobicContact CG2-CB 4.35Å; T227-L229 PolarHBondContact O-N 2.98Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; L229-A244 HydrophobicContact CD1-CB 3.59Å
230V97.3Very high96.5Very high31 Ų3181 Ų8119%0.18846%0.463CS..PPolyproline II helixtrans-82.8153.2174.9-65.50000112.1K242 W243V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.43Å; V230-K242 WeakPolarHBondContact O-CG 3.46Å; V230-K242 PolarHBondContact O-NZ 2.9Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.95Å; V230-W243 HydrophobicContact CG1-CE3 4.27Å; V230-W243 HydrophobicContact CG1-CH2 3.55Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.06Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.43Å; V230-W243 WeakPolarHBondContact CG2-O 3.48Å; V230-W243 PolarHBondContact N-O 2.99Å
231E97.4Very high96.7Very high172 Ų17280.8 Ų80.880%0.80445%0.449SS*.PPolyproline II helixtrans-55.8146.4166.9-68.5-174.4173.700111R233E231-R233 PolarHBondContact O-N 2.86Å
232T98.4Very high96.8Very high45 Ų4575 Ų7528%0.27642%0.422SS..PPolyproline II helixtrans-67.1128.1172.6-57.50000108.1F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.82Å; A210-T232 HydrophobicContact CB-CG2 4.35Å; T232-F240 HydrophobicContact CG2-CB 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.49Å; T232-K242 PolarHBondContact OG1-NZ 3.06Å; T232-K242 VanDerWaalsContact OG1-NZ 3.13Å
233R97.9Very high96.8Very high93 Ų9371.7 Ų71.735%0.35140%0.402SS..EExtended strand (participates in β ladder)trans-126.3145-173.368.2-169.2-177.6-163.60.8111.3E231 F240 Q241E231-R233 PolarHBondContact O-N 2.86Å; R233-F240 WeakPolarHBondContact O-CA 3.38Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.32Å; R233-Q241 WeakPolarHBondContact O-CG 3.47Å; R233-Q241 PolarHBondContact O-N 2.93Å
234P97.7Very high96.9Very high93 Ų9370.4 Ų70.460%0.60440%0.396SS*.EExtended strand (participates in β ladder)trans-68.2145.6178.828.6-34.7000111.1F240P234-F240 HydrophobicContact CB-CE1 4.38Å
235A97.2Very high97Very high49 Ų4965.2 Ų65.241%0.40537%0.365SS..  trans-89.3-16172.800000112.9T239A235-T239 WeakPolarHBondContact CB-O 3.34Å; A235-T239 PolarHBondContact N-O 3.19Å
236G94.8Very high97.2Very high77 Ų7756.4 Ų56.479%0.79432%0.324SS*.SBendtrans94.4-5.7179.400000115
237D93.9Very high97.4Very high103 Ų10354.8 Ų54.855%0.55132%0.318SS*.SBendtrans-107.614.1177.461.90.3000112.8T239D237-T239 WeakPolarHBondContact OD1-CB 3.4Å; D237-T239 PolarHBondContact OD1-N 3.48Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
238G93.2Very high97.3Very high41 Ų4153.6 Ų53.642%0.42331%0.311SS..SBendtrans84.55.8-173.600000114.3Y208Y208-G238 WeakPolarHBondContact CD2-O 3.32Å
239T97.6Very high97.3Very high13 Ų1350.3 Ų50.38%0.0830%0.299CS..  trans-110.2173171.6730000112.3S206 F207 A235 D237S206-T239 WeakPolarHBondContact CA-OG1 3.47Å; F207-T239 CarbonylContact O-C 3.52Å; F207-T239 WeakPolarHBondContact O-CA 3.45Å; A235-T239 WeakPolarHBondContact CB-O 3.34Å; A235-T239 PolarHBondContact N-O 3.19Å; D237-T239 WeakPolarHBondContact OD1-CB 3.4Å; D237-T239 PolarHBondContact OD1-N 3.48Å; D237-T239 PolarHBondContact OD1-OG1 2.84Å
240F98.6Very high97.1Very high28 Ų2848.7 Ų48.712%0.12330%0.295CS..EExtended strand (participates in β ladder)trans-120.3162.8-178.3-63.8-86.7000112.3D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; S206-F240 PolarHBondContact N-O 2.92Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.32Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.18Å; F207-F240 WeakPolarHBondContact CE1-O 3.37Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.44Å; F207-F240 HydrophobicContact CG-CB 4.44Å; F207-F240 HydrophobicContact CZ-CB 3.59Å; F207-F240 PolarHBondContact N-O 3.42Å; F207-F240 PolarHBondContact O-N 3.15Å; Y208-F240 HydrophobicContact CD2-CE2 4.06Å; A210-F240 HydrophobicContact CB-CD1 3.79Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.67Å; A210-F240 HydrophobicContact CB-CG 3.82Å; A210-F240 HydrophobicContact CB-CZ 3.66Å; T232-F240 HydrophobicContact CG2-CB 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.38Å; P234-F240 HydrophobicContact CB-CE1 4.38Å
241Q98.5Very high97Very high45 Ų4550.4 Ų50.421%0.2132%0.319CS..EExtended strand (participates in β ladder)trans-140.6147.2173.845.8167.9-23.600110.2A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.46Å; L205-Q241 HydrophobicContact CD2-CB 3.59Å; R233-Q241 HydrophobicContact CG-CG 3.57Å; R233-Q241 PolarHBondContact N-O 3.32Å; R233-Q241 WeakPolarHBondContact O-CG 3.47Å; R233-Q241 PolarHBondContact O-N 2.93Å
242K98.7Very high96.9Very high22 Ų2244.9 Ų44.910%0.09629%0.293CS..EExtended strand (participates in β ladder)trans-151.2154176.9-162.1-176.7-171.269.50109.1A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.93Å; A204-K242 PolarHBondContact O-N 2.85Å; A204-K242 VanDerWaalsContact O-O 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.32Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; I212-K242 HydrophobicContact CG2-CB 4.3Å; I212-K242 HydrophobicContact CG2-CD 3.63Å; L214-K242 HydrophobicContact CD1-CD 4.27Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CG 4.41Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.43Å; V230-K242 WeakPolarHBondContact O-CG 3.46Å; V230-K242 PolarHBondContact O-NZ 2.9Å; T232-K242 WeakPolarHBondContact OG1-CD 3.49Å; T232-K242 PolarHBondContact OG1-NZ 3.06Å; T232-K242 VanDerWaalsContact OG1-NZ 3.13Å
243W98.4Very high96.8Very high24 Ų2443.7 Ų43.79%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-142.2157167.459.2-99000111.5R201 C202 W203 E228 V230 S245R201-W243 HydrophobicContact CG-CB 3.95Å; R201-W243 HydrophobicContact CG-CD2 4.17Å; R201-W243 HydrophobicContact CG-CE3 4Å; R201-W243 HydrophobicContact CG-CG 4.21Å; C202-W243 CarbonylContact O-C 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.48Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.44Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.86Å; W203-W243 AromaticContact CE3-CD1 3.87Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.54Å; W203-W243 HydrophobicContact CH2-CG 4.21Å; W203-W243 AromaticContact CH2-NE1 4Å; W203-W243 HydrophobicContact CZ2-CG 4.44Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.1Å; E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 VanDerWaalsContact CD-CH2 3.41Å; E228-W243 HydrophobicContact CG-CH2 3.89Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.49Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.4Å; V230-W243 HydrophobicContact CG1-CD2 3.95Å; V230-W243 HydrophobicContact CG1-CE3 4.27Å; V230-W243 HydrophobicContact CG1-CH2 3.55Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.06Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.43Å; V230-W243 WeakPolarHBondContact CG2-O 3.48Å; V230-W243 PolarHBondContact N-O 2.99Å; W243-S245 WeakPolarHBondContact CZ3-OG 3.41Å
244A98.4Very high96.7Very high0 Ų044.4 Ų44.40%029%0.292CS..EExtended strand (participates in β ladder)trans-130.2134.2172.700000108.4C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 3.19Å; C202-A244 PolarHBondContact O-N 3.14Å; L214-A244 HydrophobicContact CB-CB 4.03Å; L214-A244 HydrophobicContact CD2-CB 4.33Å; W216-A244 PolarHBondContact NE1-O 3.17Å; T227-A244 HydrophobicContact CG2-CB 3.91Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 VanDerWaalsContact O-CA 3.32Å; E228-A244 WeakPolarHBondContact O-CA 3.24Å; L229-A244 HydrophobicContact CD1-CB 3.59Å
245S98Very high96.7Very high3 Ų344.7 Ų44.72%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-129.8151.4174.451.50000114L200 T227 E228 W243L200-S245 CarbonylContact O-C 3.57Å; L200-S245 WeakPolarHBondContact O-CA 3.42Å; L200-S245 WeakPolarHBondContact O-CB 3.43Å; T227-S245 CarbonylContact C-O 3.57Å; T227-S245 WeakPolarHBondContact CA-O 3.46Å; E228-S245 PolarHBondContact N-O 3.44Å; E228-S245 PolarHBondContact O-N 2.87Å; E228-S245 PolarHBondContact OE2-OG 2.88Å; W243-S245 WeakPolarHBondContact CZ3-OG 3.41Å
246V98Very high96.8Very high4 Ų442.8 Ų42.82%0.02426%0.263CS..EExtended strand (participates in β ladder)trans-130145.8174.5-72.70000109.1T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.44Å; L200-V246 HydrophobicContact CB-CG2 4.27Å; L200-V246 PolarHBondContact N-O 3.42Å; L200-V246 PolarHBondContact O-N 2.84Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.5Å; W216-V246 HydrophobicContact CD2-CG1 4.27Å; W216-V246 HydrophobicContact CD2-CG2 3.63Å; W216-V246 HydrophobicContact CE3-CG2 3.93Å; W216-V246 HydrophobicContact CG-CB 4.42Å; W216-V246 HydrophobicContact CG-CG1 3.61Å; W216-V246 HydrophobicContact CG-CG2 3.91Å; W216-V246 HydrophobicContact CH2-CG2 4.46Å; W216-V246 HydrophobicContact CZ2-CG2 4.23Å; W216-V246 HydrophobicContact CZ3-CG2 4.35Å; Q223-V246 HydrophobicContact CB-CG1 4.4Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.76Å; V246-Y256 HydrophobicContact CG2-CD1 4.09Å
247V97.8Very high96.9Very high80 Ų8039.4 Ų39.449%0.48523%0.227SC..EExtended strand (participates in β ladder)trans-86.9127.5168-178.60000107.7E197 A198E197-V247 HydrophobicContact CB-CG1 4.01Å; E197-V247 HydrophobicContact CG-CG1 4.24Å; A198-V247 WeakPolarHBondContact O-CA 3.46Å
248V97.1Very high97.2Very high1 Ų134.5 Ų34.51%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-125.8145-175.3-52.70000110.3E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.33Å; A198-V248 HydrophobicContact CB-CG2 4.4Å; A198-V248 PolarHBondContact N-O 3.3Å; A198-V248 WeakPolarHBondContact O-CG2 3.42Å; A198-V248 PolarHBondContact O-N 2.61Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4.01Å; L200-V248 HydrophobicContact CG-CG1 4.17Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.76Å; V248-E253 HydrophobicContact CG2-CG 3.99Å; V248-Y256 HydrophobicContact CB-CD2 3.99Å; V248-Y256 HydrophobicContact CB-CE2 3.65Å; V248-Y256 HydrophobicContact CG1-CD1 3.82Å; V248-Y256 HydrophobicContact CG1-CD2 3.55Å; V248-Y256 HydrophobicContact CG1-CE1 3.76Å; V248-Y256 HydrophobicContact CG1-CE2 3.49Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.49Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å
249P96.9Very high97.4Very high43 Ų4334.3 Ų34.328%0.27919%0.189SC..EExtended strand (participates in β ladder)trans-65138.7171.3-19.832.1000111.3H196 G251 Q252H196-P249 CarbonylContact O-C 3.54Å; H196-P249 WeakPolarHBondContact O-CA 3.09Å; P249-G251 PolarHBondContact O-N 2.94Å; P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.35Å; P249-Q252 PolarHBondContact O-N 3.33Å
250S94Very high97.5Very high55 Ų5533.7 Ų33.739%0.38519%0.185SC..THydrogen-bonded Turntrans-52.8129.8175.3-60.20000111D195 H196 E197 Q252 E253D195-S250 PolarHBondContact O-OG 3.27Å; D195-S250 VanDerWaalsContact O-OG 3.07Å; H196-S250 PolarHBondContact O-N 2.84Å; H196-S250 PolarHBondContact O-OG 3.37Å; E197-S250 PolarHBondContact N-OG 3.3Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; S250-E253 WeakPolarHBondContact CA-OE1 3.29Å
251G94.1Very high97.5Very high67 Ų6737.2 Ų37.269%0.69120%0.202SC*.THydrogen-bonded Turntrans84.8-0.6-178.200000115P249 E253P249-G251 PolarHBondContact O-N 2.94Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 3.12Å; G251-E253 PolarHBondContact N-OE2 3.38Å
252Q96.4Very high97.5Very high57 Ų5735.9 Ų35.927%0.26620%0.196SC..  trans-1067.3175.1-60.8-168.334.600113.4P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.35Å; P249-Q252 PolarHBondContact O-N 3.33Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.39Å; Q252-R255 WeakPolarHBondContact O-CB 3.36Å; Q252-R255 PolarHBondContact O-N 3.12Å; Q252-Y256 HydrophobicContact CB-CE2 4.41Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.41Å
253E96Very high97.4Very high20 Ų2041.8 Ų41.89%0.09322%0.224CC..G310 helixtrans-57.6-36.9-172.4-57.581.6-178.100112L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.1Å; L200-E253 HydrophobicContact CD1-CG 4.47Å; L200-E253 HydrophobicContact CD2-CB 4.5Å; L200-E253 HydrophobicContact CD2-CG 4.29Å; V248-E253 HydrophobicContact CG2-CG 3.99Å; S250-E253 WeakPolarHBondContact CA-OE1 3.29Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 3.12Å; G251-E253 PolarHBondContact N-OE2 3.38Å; E253-R255 PolarHBondContact O-N 3.14Å; E253-Y256 PolarHBondContact O-N 2.78Å; E253-W273 HydrophobicContact CB-CE3 3.49Å; E253-W273 VanDerWaalsContact CB-CE3 3.49Å; E253-W273 HydrophobicContact CB-CZ3 4.02Å; E253-W273 HydrophobicContact CG-CE3 3.59Å; E253-W273 HydrophobicContact CG-CZ3 3.69Å
254Q96.3Very high97.2Very high108 Ų10841.7 Ų41.751%0.50523%0.23SC..G310 helixtrans-67.9-15.8-179.8-64.7-58.2-44.300114.5Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 3.39Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å; Q254-W273 PolarHBondContact NE2-O 3.36Å
255R97.6Very high97.2Very high99 Ų9943 Ų4337%0.37424%0.237SC..G310 helixtrans-77.3-16.6173.5-64.6174.866.1-179.35.3112.1R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.41Å; D219-R255 PolarHBondContact N-O 3.48Å; D219-R255 WeakPolarHBondContact OD1-CB 3.08Å; D219-R255 WeakPolarHBondContact OD1-CG 3.32Å; D219-R255 IonicContact OD1-NE 3.8Å; D219-R255 PolarHBondContact OD1-NE 3.06Å; D219-R255 VanDerWaalsContact OD1-NE 3.16Å; D219-R255 IonicContact OD2-CZ 3.16Å; D219-R255 IonicContact OD2-NE 2.61Å; D219-R255 PolarHBondContact OD2-NE 3.25Å; D219-R255 IonicContact OD2-NH2 3.1Å; D219-R255 PolarHBondContact OD2-NH2 2.89Å; Q252-R255 WeakPolarHBondContact O-CB 3.36Å; Q252-R255 PolarHBondContact O-N 3.12Å; E253-R255 PolarHBondContact O-N 3.14Å
256Y98.1Very high97.2Very high8 Ų849.3 Ų49.33%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-98.3133.1-177.3-66.5-96.7000111.2Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.54Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.43Å; R218-Y256 HydrophobicContact CB-CD1 3.98Å; R218-Y256 HydrophobicContact CB-CE1 3.75Å; R218-Y256 WeakPolarHBondContact CD-OH 3.18Å; R218-Y256 HydrophobicContact CG-CD1 4.3Å; R218-Y256 HydrophobicContact CG-CE1 3.88Å; R218-Y256 HydrophobicContact CG-CE2 4.18Å; R218-Y256 PolarHBondContact NE-OH 3.28Å; R218-Y256 PolarHBondContact NH1-OH 3.01Å; Q223-Y256 HydrophobicContact CG-CE1 4.42Å; V246-Y256 HydrophobicContact CG2-CD1 4.09Å; V248-Y256 HydrophobicContact CB-CD2 3.99Å; V248-Y256 HydrophobicContact CB-CE2 3.65Å; V248-Y256 HydrophobicContact CG1-CD1 3.82Å; V248-Y256 HydrophobicContact CG1-CD2 3.55Å; V248-Y256 HydrophobicContact CG1-CE1 3.76Å; V248-Y256 HydrophobicContact CG1-CE2 3.49Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.49Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å; Q252-Y256 HydrophobicContact CB-CE2 4.41Å; Q252-Y256 VanDerWaalsContact O-CD2 3.3Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.41Å; E253-Y256 PolarHBondContact O-N 2.78Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å
257T98.3Very high97.1Very high7 Ų756.3 Ų56.34%0.04331%0.308CS..EExtended strand (participates in β ladder)trans-125.6133.5175.343.60000110.5W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.47Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; Q217-T257 PolarHBondContact N-O 2.7Å; Q217-T257 PolarHBondContact O-N 3.38Å; T257-H259 WeakPolarHBondContact CB-NE2 3.5Å; T257-H259 PolarHBondContact OG1-NE2 3.43Å; T257-T270 HydrophobicContact CG2-CG2 3.82Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.24Å; T257-R272 HydrophobicContact CG2-CG 3.5Å
258C98.4Very high97.1Very high0 Ų056.2 Ų56.20%031%0.309CS..EExtended strand (participates in β ladder)trans-91.6131.5167175.10000109.8C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.46Å; C202-C258 VanDerWaalsContact CB-CB 3.46Å; C202-C258 WeakPolarHBondContact CB-SG 2.93Å; C202-C258 WeakPolarHBondContact SG-CB 3.49Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.06Å; T215-C258 CarbonylContact O-C 3.56Å; T215-C258 WeakPolarHBondContact O-CA 3.27Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.08Å; W216-C258 HydrophobicContact CZ2-CB 4.08Å; W216-C258 HydrophobicContact CZ3-CB 4.11Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.09Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.93Å; C258-L271 PolarHBondContact O-N 3.28Å
259H98.4Very high97.2Very high36 Ų3658.6 Ų58.617%0.16732%0.322CS..EExtended strand (participates in β ladder)trans-112.2128.1177.2-64.3-110.5000109.7L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.34Å; T215-H259 PolarHBondContact N-O 3.34Å; T215-H259 PolarHBondContact O-N 2.93Å; T215-H259 WeakPolarHBondContact OG1-CB 3.4Å; Q217-H259 PolarHBondContact OE1-CE1 2.92Å; Q217-H259 PolarHBondContact OE1-NE2 2.66Å; T257-H259 WeakPolarHBondContact CB-NE2 3.5Å; T257-H259 PolarHBondContact OG1-NE2 3.43Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.34Å; H259-T270 PolarHBondContact CE1-OG1 2.67Å; H259-T270 PolarHBondContact ND1-OG1 3.34Å
260V98.6Very high97.2Very high0 Ų060.5 Ų60.50%033%0.333CS..EExtended strand (participates in β ladder)trans-121.8123.3-177-173.60000109.6P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.89Å; T186-V260 HydrophobicContact CG2-CB 4.36Å; T186-V260 HydrophobicContact CG2-CG1 4.11Å; T186-V260 HydrophobicContact CG2-CG2 4.01Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; T213-V260 WeakPolarHBondContact O-CA 3.37Å; L214-V260 HydrophobicContact CD1-CG1 4.12Å; L214-V260 HydrophobicContact CG-CG2 4.36Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; V260-P268 WeakPolarHBondContact O-CA 3.17Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 2.93Å; V260-L269 PolarHBondContact O-N 2.75Å; V260-L271 HydrophobicContact CG2-CD1 4Å
261Q98.6Very high97.4Very high102 Ų10259.7 Ų59.748%0.47732%0.324SS..EExtended strand (participates in β ladder)trans-119.7131.8173.6-53.8-177.110.200109.7I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.27Å; I212-Q261 WeakPolarHBondContact CG1-O 3.18Å; T213-Q261 PolarHBondContact N-O 2.73Å; T213-Q261 PolarHBondContact O-N 3.06Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
262H98.5Very high97.4Very high17 Ų1763.9 Ų63.98%0.07932%0.319CS..  trans-156.6145.5179.7-177.6-98.4000108.4D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.42Å; P184-H262 HydrophobicContact CG-CB 4.04Å; F207-H262 AromaticContact CD2-CD2 3.84Å; F207-H262 AromaticContact CD2-NE2 3.76Å; Y208-H262 PolarHBondContact O-CE1 3Å; Y208-H262 PolarHBondContact O-NE2 2.98Å; P209-H262 PolarHBondContact O-NE2 3.29Å; E211-H262 PolarHBondContact O-CD2 2.75Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å; I212-H262 HydrophobicContact CD1-CB 4.43Å; I212-H262 HydrophobicContact CG1-CB 4.16Å; H262-G264 PolarHBondContact ND1-N 2.89Å; H262-G264 PolarHBondContact O-N 3.45Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.28Å; H262-L265 PolarHBondContact O-N 3.3Å
263E96.4Very high97.1Very high147 Ų14768 Ų6869%0.68733%0.332SS*.THydrogen-bonded Turntrans-58.4-33.1-177.8-176.4173.217200112.8T181 L265T181-E263 HydrophobicContact CG2-CB 4.1Å; T181-E263 HydrophobicContact CG2-CG 4.25Å; E263-L265 PolarHBondContact O-N 2.73Å
264G96.3Very high97.1Very high22 Ų2270.5 Ų70.523%0.22734%0.344CS..THydrogen-bonded Turntrans-72.3-8.717800000114.6H262H262-G264 PolarHBondContact ND1-N 2.89Å; H262-G264 PolarHBondContact O-N 3.45Å
265L97.9Very high97.2Very high26 Ų2668.5 Ų68.514%0.13634%0.336CS..  trans-92.8126.9177.4-66.8170.3000110P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.85Å; P183-L265 HydrophobicContact CB-CG 4.37Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CD2 4.49Å; P184-L265 HydrophobicContact CG-CG 4.27Å; V260-L265 HydrophobicContact CG1-CD1 4.24Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.28Å; H262-L265 PolarHBondContact O-N 3.3Å; E263-L265 PolarHBondContact O-N 2.73Å; L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.35Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.76Å; L265-L269 HydrophobicContact CD2-CD2 4.49Å; L265-L269 HydrophobicContact CD2-CG 4Å
266P96.9Very high97.1Very high136 Ų13666.8 Ų66.888%0.88333%0.333SS*.SBendtrans-65.9-21.5177.327.4-35000112.7
267K97.2Very high97.1Very high151 Ų15170.2 Ų70.266%0.65735%0.351SS*.SBendtrans-151.9151.9172.260.7-178.7180178.40109.5L265L265-K267 WeakPolarHBondContact CB-O 3.46Å; L265-K267 PolarHBondContact O-N 3.35Å
268P97.8Very high97Very high79 Ų7974.2 Ų74.251%0.51337%0.371SS..  trans-52.3143.8172.7-27.736.2000112.3V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.17Å; Q261-P268 HydrophobicContact CG-CB 4.09Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
269L98.1Very high96.9Very high51 Ų5179.1 Ų79.127%0.26740%0.395SS..EExtended strand (participates in β ladder)trans-94.5143.9174-61.1178.1000110.1T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.2Å; H259-L269 VanDerWaalsContact CA-O 3.31Å; H259-L269 WeakPolarHBondContact CA-O 3.34Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 2.93Å; V260-L269 PolarHBondContact O-N 2.75Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CG 3.92Å; L265-L269 HydrophobicContact CD2-CD1 3.76Å; L265-L269 HydrophobicContact CD2-CD2 4.49Å; L265-L269 HydrophobicContact CD2-CG 4Å
270T98Very high96.8Very high83 Ų8382.2 Ų82.251%0.50941%0.412SS..EExtended strand (participates in β ladder)trans-122.6122169.8-59.10000108.1T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.82Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.09Å; H259-T270 PolarHBondContact CE1-OG1 2.67Å; H259-T270 PolarHBondContact ND1-OG1 3.34Å
271L96.8Very high96.7Very high37 Ų3788.5 Ų88.519%0.19444%0.443CS..EExtended strand (participates in β ladder)trans-117.4144.1-174.7-58.9158.3000109.3T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.13Å; M188-L271 HydrophobicContact CG-CB 4.34Å; M188-L271 HydrophobicContact SD-CB 3.77Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.24Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.93Å; C258-L271 PolarHBondContact O-N 3.28Å; V260-L271 HydrophobicContact CG2-CD1 4Å
272R94.6Very high96.5Very high155 Ų15587.4 Ų87.459%0.58544%0.44SS*.  trans-131.1158.4170.4-69.2-174.7176.9154.12.2108.4T257T257-R272 HydrophobicContact CG2-CG 3.5Å
273W89.8Confident96.3Very high145 Ų14593.8 Ų93.855%0.54947%0.473SS..  trans-71.60173.5-178.248.8000110.7M188 H190 L200 E253 Q254M188-W273 HydrophobicContact CE-CB 3.57Å; H190-W273 HydrophobicContact CB-CD2 4.15Å; H190-W273 HydrophobicContact CB-CG 4.35Å; H190-W273 HydrophobicContact CB-CZ2 3.92Å; H190-W273 AromaticContact CD2-CE2 3.91Å; H190-W273 AromaticContact CD2-CH2 3.81Å; H190-W273 AromaticContact CD2-CZ2 3.78Å; H190-W273 AromaticContact CG-CE2 3.74Å; H190-W273 AromaticContact CG-CZ2 3.64Å; H190-W273 AromaticContact NE2-CH2 3.95Å; L200-W273 HydrophobicContact CD2-CB 4.1Å; L200-W273 HydrophobicContact CD2-CD2 4.45Å; L200-W273 HydrophobicContact CD2-CG 4.17Å; E253-W273 HydrophobicContact CB-CE3 3.49Å; E253-W273 VanDerWaalsContact CB-CE3 3.49Å; E253-W273 HydrophobicContact CB-CZ3 4.02Å; E253-W273 HydrophobicContact CG-CE3 3.59Å; E253-W273 HydrophobicContact CG-CZ3 3.69Å; Q254-W273 PolarHBondContact NE2-O 3.36Å

Retrieved 273 of 273 residues in 150.9 ms (Link to these results)

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