A0A076V371_HUMAN Loading...

MHC class I antigen

AlphaFold DB (A0A0G3ENZ2), UniProt , Accession A0A076V371, 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
1S94.4Very high98.3Very high111 Ų11137.2 Ų37.278%0.77621%0.208SC*.  0160.7039.80000107.3V102S1-V102 VanDerWaalsContact CA-O 3.29Å; S1-V102 WeakPolarHBondContact CA-O 3.42Å; S1-V102 VanDerWaalsContact CB-O 3.23Å; S1-V102 WeakPolarHBondContact CB-O 3.17Å
2H97.8Very high98.3Very high32 Ų3235.6 Ų35.615%0.14820%0.201CC..EExtended strand (participates in β ladder)trans-137.7159.7178.8-65.7-82000110.6D28 D101 V102 W106 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 IonicContact CE1-OD2 3.59Å; H2-D28 IonicContact CG-OD2 3.52Å; H2-D28 IonicContact ND1-OD1 3.37Å; H2-D28 IonicContact ND1-OD2 2.82Å; H2-D28 PolarHBondContact ND1-OD2 2.88Å; H2-D101 WeakPolarHBondContact O-CA 3.27Å; H2-V102 HydrophobicContact CB-CG2 4.04Å; H2-V102 PolarHBondContact N-O 2.87Å; H2-V102 PolarHBondContact O-N 2.84Å; H2-W106 AromaticContact CD2-CH2 3.72Å; H2-W106 AromaticContact CD2-CZ3 3.52Å; H2-W106 AromaticContact NE2-CH2 3.95Å; H2-L167 HydrophobicContact CB-CD1 4.43Å; H2-L171 HydrophobicContact CB-CD1 3.54Å; H2-L171 HydrophobicContact CB-CD2 4.26Å
3S98.4Very high98.1Very high23 Ų2338.6 Ų38.616%0.16121%0.207CC..EExtended strand (participates in β ladder)trans-134.2149178.166.60000111.5V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.44Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.46Å; S3-D28 PolarHBondContact N-OD1 2.93Å; S3-D28 PolarHBondContact O-N 2.84Å; S3-D28 PolarHBondContact OG-OD1 3.08Å; S3-C100 WeakPolarHBondContact CA-O 2.95Å; S3-D101 WeakPolarHBondContact CB-OD1 3.48Å
4M98.8Very high97.9Very high1 Ų139.9 Ų39.91%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-121127164.7-176170.160.300108.5Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.31Å; M4-Y6 HydrophobicContact CG-CE2 4.2Å; M4-Y6 HydrophobicContact SD-CE2 4.09Å; M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.29Å; M4-V27 HydrophobicContact CG-CG2 4.43Å; M4-F32 HydrophobicContact CG-CE1 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.36Å; M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.36Å; M4-C100 PolarHBondContact N-O 2.95Å; M4-C100 PolarHBondContact O-N 3.22Å; M4-C163 HydrophobicContact CE-CB 4.13Å; M4-C163 WeakPolarHBondContact CE-O 3.33Å; M4-C163 WeakPolarHBondContact CE-SG 3.14Å; M4-W166 HydrophobicContact CE-CB 4.14Å; M4-L167 HydrophobicContact CB-CB 4.1Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.18Å; M4-L167 HydrophobicContact CB-CG 4.31Å; M4-L167 HydrophobicContact CE-CB 4.43Å; M4-Y170 HydrophobicContact SD-CD2 3.79Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5R98.8Very high97.6Very high46 Ų4643.3 Ų43.317%0.17427%0.266CS..EExtended strand (participates in β ladder)trans-132.4138.7-178.5-57.9-63.2178.978.65.1111.1F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.34Å; R5-F7 HydrophobicContact CB-CE2 3.53Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.4Å; R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; R5-Y26 PolarHBondContact N-O 3.08Å; R5-Y26 PolarHBondContact O-N 2.85Å; R5-Y98 WeakPolarHBondContact CA-O 3.44Å; R5-D101 IonicContact CZ-OD1 2.81Å; R5-D101 IonicContact NE-OD1 3.54Å; R5-D101 PolarHBondContact NE-OD1 3.21Å; R5-D101 IonicContact NH2-OD1 3.95Å; R5-D101 PolarHBondContact NH2-OD1 3.49Å; R5-D101 IonicContact NH2-OD2 3.87Å; R5-D101 PolarHBondContact NH2-OD2 3.25Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.34Å; R5-Y112 PolarHBondContact NH2-OH 2.91Å
6Y98.9Very high97.4Very high11 Ų1153.4 Ų53.44%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-112.8134.7167.3-70.2-88.6000109.5M4 F8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.31Å; M4-Y6 HydrophobicContact CG-CE2 4.2Å; M4-Y6 HydrophobicContact SD-CE2 4.09Å; Y6-F8 HydrophobicContact CD1-CE1 4.34Å; Y6-F8 HydrophobicContact CG-CE1 4.5Å; Y6-V24 WeakPolarHBondContact CA-O 3.46Å; Y6-F32 HydrophobicContact CE1-CZ 4.06Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.22Å; Y6-V33 HydrophobicContact CE1-CG2 4.05Å; Y6-M97 WeakPolarHBondContact O-CA 3.31Å; Y6-Y98 HydrophobicContact CD2-CD2 4.48Å; Y6-Y98 AromaticContact CD2-CE2 3.68Å; Y6-Y98 HydrophobicContact CD2-CE2 3.68Å; Y6-Y98 AromaticContact CD2-CZ 3.77Å; Y6-Y98 HydrophobicContact CE2-CE2 4.48Å; Y6-Y98 HydrophobicContact CG-CE1 4.32Å; Y6-Y98 HydrophobicContact CG-CE2 4.17Å; Y6-Y98 AromaticContact CG-CZ 3.78Å; Y6-Y98 PolarHBondContact N-O 3Å; Y6-Y98 PolarHBondContact O-N 3.23Å; Y6-Y98 VanDerWaalsContact O-N 3.17Å
7F98.9Very high97.2Very high81 Ų8153.6 Ų53.636%0.35532%0.315SS..EExtended strand (participates in β ladder)trans-120.6117.4178.2-57-94.4000109.1R5 A23 V24 Y26 R96 M97R5-F7 HydrophobicContact CB-CD2 4.34Å; R5-F7 HydrophobicContact CB-CE2 3.53Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.4Å; F7-A23 WeakPolarHBondContact O-CA 3.39Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 3.18Å; F7-V24 PolarHBondContact O-N 3.15Å; F7-Y26 HydrophobicContact CD2-CD2 4.02Å; F7-Y26 AromaticContact CE2-CD2 4Å; F7-Y26 HydrophobicContact CE2-CD2 4Å; F7-Y26 HydrophobicContact CE2-CG 4.5Å; F7-R96 WeakPolarHBondContact CA-O 3.31Å; F7-M97 HydrophobicContact CD1-CB 4.08Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.26Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.12Å
8F98.8Very high97.1Very high6 Ų655.8 Ų55.83%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-110.4136.7176.9-57.4-14.5000109.3Y6 F21 I22 A23 H69 H73 Q95 R96 Y98Y6-F8 HydrophobicContact CD1-CE1 4.34Å; Y6-F8 HydrophobicContact CG-CE1 4.5Å; F8-F21 HydrophobicContact CB-CE2 3.94Å; F8-F21 HydrophobicContact CB-CZ 3.8Å; F8-F21 HydrophobicContact CD1-CZ 4.22Å; F8-F21 HydrophobicContact CD2-CE2 4.35Å; F8-F21 AromaticContact CD2-CZ 3.84Å; F8-F21 HydrophobicContact CD2-CZ 3.84Å; F8-F21 HydrophobicContact CE2-CZ 4.44Å; F8-F21 HydrophobicContact CG-CE2 4.28Å; F8-F21 AromaticContact CG-CZ 3.71Å; F8-F21 HydrophobicContact CG-CZ 3.71Å; F8-I22 CarbonylContact C-O 3.57Å; F8-I22 WeakPolarHBondContact CA-O 3.34Å; F8-A23 HydrophobicContact CD1-CB 3.33Å; F8-A23 HydrophobicContact CE1-CB 3.5Å; F8-A23 HydrophobicContact CG-CB 4.3Å; F8-H69 HydrophobicContact CD2-CB 4.38Å; F8-H69 HydrophobicContact CE2-CB 4.04Å; F8-H69 AromaticContact CE2-CD2 3.56Å; F8-H69 AromaticContact CE2-CG 3.75Å; F8-H69 AromaticContact CZ-CD2 3.98Å; F8-H73 AromaticContact CD2-NE2 3.89Å; F8-Q95 CarbonylContact O-C 3.55Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.08Å; F8-R96 HydrophobicContact CB-CB 4.24Å; F8-R96 PolarHBondContact N-O 3.48Å; F8-R96 PolarHBondContact O-N 2.89Å; F8-Y98 HydrophobicContact CD2-CE1 4.26Å; F8-Y98 HydrophobicContact CE1-CE1 4.14Å; F8-Y98 AromaticContact CE2-CE1 3.6Å; F8-Y98 HydrophobicContact CE2-CE1 3.6Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.88Å; F8-Y98 VanDerWaalsContact CZ-OH 3.3Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.32Å
9T98.8Very high97.1Very high43 Ų4354.1 Ų54.126%0.26431%0.312SS..EExtended strand (participates in β ladder)trans-131.7124.9174.4-58.70000108.7V11 F21 I22 T93 Q95T9-V11 HydrophobicContact CG2-CG2 3.96Å; T9-F21 WeakPolarHBondContact O-CA 3.35Å; T9-I22 PolarHBondContact N-O 2.97Å; T9-I22 PolarHBondContact O-N 3.36Å; T9-T93 HydrophobicContact CG2-CG2 4.01Å; T9-Q95 HydrophobicContact CG2-CG 4.23Å
10S98.7Very high97.2Very high1 Ų155.9 Ų55.91%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-118.6127.8171-165.20000110R20 L77 T93 V94S10-R20 CarbonylContact C-O 3.57Å; S10-R20 VanDerWaalsContact CA-O 3.24Å; S10-R20 WeakPolarHBondContact CA-O 3.49Å; S10-L77 WeakPolarHBondContact OG-CD1 3.3Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.32Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; S10-V94 PolarHBondContact N-O 2.91Å; S10-V94 PolarHBondContact O-N 2.88Å
11V98.6Very high97.3Very high54 Ų5453.2 Ų53.233%0.32730%0.299SS..EExtended strand (participates in β ladder)trans-121.6115.6-178.4-172.50000108.7T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 3.96Å; V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.47Å; V11-P19 WeakPolarHBondContact O-CB 3.43Å; V11-R20 PolarHBondContact N-O 2.88Å; V11-R20 PolarHBondContact O-N 3.18Å; V11-H92 WeakPolarHBondContact CA-O 3.49Å; V11-T93 HydrophobicContact CG2-CG2 4.2Å
12S98.1Very high97.5Very high18 Ų1850.3 Ų50.313%0.12627%0.274CS..  trans-69.3150172.772.90000110.5S91 H92S12-S91 PolarHBondContact O-OG 2.91Å; S12-H92 PolarHBondContact N-O 2.78Å; S12-H92 PolarHBondContact OG-N 2.81Å; S12-H92 PolarHBondContact OG-O 3.38Å
13R96.9Very high97.5Very high75 Ų7548.8 Ų48.828%0.28327%0.267SS..  trans-143.572.8-178.851.9175.7175-162.3-8.6110.9G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.8Å; R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 WeakPolarHBondContact CD-O 3.43Å; R13-R16 HydrophobicContact CG-CB 4.14Å; R13-R16 PolarHBondContact NE-O 3.03Å; R13-R16 WeakPolarHBondContact O-CA 3.2Å; R13-R16 PolarHBondContact O-N 2.95Å; R13-E18 PolarHBondContact NE-O 2.99Å; R13-E18 PolarHBondContact NH2-O 3.3Å; R13-D38 IonicContact CZ-OD1 3.68Å; R13-D38 IonicContact CZ-OD2 3.86Å; R13-D38 IonicContact NH1-OD1 3.52Å; R13-D38 IonicContact NH1-OD2 3.56Å; R13-D38 PolarHBondContact NH1-OD2 2.95Å; R13-D38 IonicContact NH2-OD1 3.54Å; R13-D38 PolarHBondContact NH2-OD1 3.4Å; R13-D38 IonicContact NH2-OD2 2.83Å
14P94.3Very high97.5Very high57 Ų5749.1 Ų49.137%0.3727%0.268SS..THydrogen-bonded Turntrans-49.3131.3-176.5-27.135000112.3R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.96Å; P14-E88 WeakPolarHBondContact CB-O 3.27Å; P14-E88 WeakPolarHBondContact CG-O 3.44Å; P14-G90 VanDerWaalsContact CG-O 3.26Å; P14-G90 WeakPolarHBondContact CG-O 3.45Å
15G93.8Very high97.5Very high90 Ų9049 Ų4993%0.92827%0.268SS*.THydrogen-bonded Turntrans76.21.5-176.900000115.9R13R13-G15 PolarHBondContact O-N 2.8Å
16R95.1Very high97.5Very high205 Ų20550.2 Ų50.277%0.77427%0.273SS*.SBendtrans-125.626.1179.5-59.4-175.5179.1-178.80113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 WeakPolarHBondContact CD-O 3.43Å; R13-R16 HydrophobicContact CG-CB 4.14Å; R13-R16 PolarHBondContact NE-O 3.03Å; R13-R16 WeakPolarHBondContact O-CA 3.2Å; R13-R16 PolarHBondContact O-N 2.95Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.96Å
17G93.5Very high97.5Very high57 Ų5749.7 Ų49.759%0.58827%0.271SS*.SBendtrans91-162.3179.500000113.8
18E95Very high97.5Very high94 Ų9447.3 Ų47.344%0.43926%0.262SS..SBendtrans-69.3155.4-176.9-64.7-58.1161.900112.9R13 R20 R74R13-E18 PolarHBondContact NE-O 2.99Å; R13-E18 PolarHBondContact NH2-O 3.3Å; E18-R20 PolarHBondContact O-N 3.3Å; E18-R74 IonicContact OE1-CZ 3.26Å; E18-R74 IonicContact OE1-NH1 2.69Å; E18-R74 PolarHBondContact OE1-NH1 2.9Å; E18-R74 IonicContact OE1-NH2 2.77Å; E18-R74 PolarHBondContact OE1-NH2 3.17Å; E18-R74 WeakPolarHBondContact OE2-CD 3.08Å; E18-R74 IonicContact OE2-CZ 3.26Å; E18-R74 IonicContact OE2-NE 3.4Å; E18-R74 PolarHBondContact OE2-NE 3.05Å; E18-R74 IonicContact OE2-NH1 3.52Å; E18-R74 PolarHBondContact OE2-NH1 3.23Å; E18-R74 IonicContact OE2-NH2 3.29Å; E18-R74 PolarHBondContact OE2-NH2 3Å
19P97.6Very high97.4Very high22 Ų2250.1 Ų50.114%0.14328%0.277CS..PPolyproline II helixtrans-52.4132.3174-25.734.5000112V11 R74 L77V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.47Å; V11-P19 WeakPolarHBondContact O-CB 3.43Å; P19-R74 HydrophobicContact CG-CG 4.27Å; P19-L77 HydrophobicContact CB-CD1 3.56Å; P19-L77 HydrophobicContact CG-CD1 3.68Å
20R98.4Very high97.4Very high91 Ų9149.4 Ų49.434%0.34327%0.273SS..EExtended strand (participates in β ladder)trans-73.8132.8172.8-175.5-179.8-177.1-178.7-0.8108.5S10 V11 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.57Å; S10-R20 VanDerWaalsContact CA-O 3.24Å; S10-R20 WeakPolarHBondContact CA-O 3.49Å; V11-R20 PolarHBondContact N-O 2.88Å; V11-R20 PolarHBondContact O-N 3.18Å; E18-R20 PolarHBondContact O-N 3.3Å; R20-I22 HydrophobicContact CG-CG1 4.37Å; R20-D36 IonicContact CZ-OD1 3.64Å; R20-D36 IonicContact CZ-OD2 3.61Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 3.34Å; R20-D36 IonicContact NE-OD2 2.68Å; R20-D36 IonicContact NH2-OD1 3.44Å; R20-D36 PolarHBondContact NH2-OD1 2.72Å; R20-D36 IonicContact NH2-OD2 2.69Å; R20-D36 PolarHBondContact NH2-OD2 3.38Å; R20-S37 WeakPolarHBondContact CA-OG 3.5Å; R20-D38 VanDerWaalsContact CD-OD2 3.27Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.42Å; R20-D38 IonicContact NE-OD2 3.83Å
21F98.8Very high97.4Very high0 Ų052 Ų520%028%0.284CS..EExtended strand (participates in β ladder)trans-118.3126.4176.7-178.6-86.4000110.1F8 T9 A23 F35 S37 V66 H69 S70 H73F8-F21 HydrophobicContact CB-CE2 3.94Å; F8-F21 HydrophobicContact CB-CZ 3.8Å; F8-F21 HydrophobicContact CD1-CZ 4.22Å; F8-F21 HydrophobicContact CD2-CE2 4.35Å; F8-F21 AromaticContact CD2-CZ 3.84Å; F8-F21 HydrophobicContact CD2-CZ 3.84Å; F8-F21 HydrophobicContact CE2-CZ 4.44Å; F8-F21 HydrophobicContact CG-CE2 4.28Å; F8-F21 AromaticContact CG-CZ 3.71Å; F8-F21 HydrophobicContact CG-CZ 3.71Å; T9-F21 WeakPolarHBondContact O-CA 3.35Å; F21-A23 HydrophobicContact CE1-CB 3.73Å; F21-A23 HydrophobicContact CZ-CB 4.24Å; F21-F35 AromaticContact CD1-CD1 3.84Å; F21-F35 HydrophobicContact CD1-CD1 3.84Å; F21-F35 AromaticContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 4.22Å; F21-S37 PolarHBondContact N-OG 2.68Å; F21-S37 PolarHBondContact O-N 2.82Å; F21-S37 PolarHBondContact O-OG 2.85Å; F21-V66 HydrophobicContact CD1-CG2 4.44Å; F21-V66 HydrophobicContact CE1-CG2 3.57Å; F21-V66 HydrophobicContact CZ-CG2 4.37Å; F21-H69 HydrophobicContact CE2-CB 4.48Å; F21-H69 HydrophobicContact CZ-CB 4.04Å; F21-S70 WeakPolarHBondContact CB-OG 3.22Å; F21-H73 HydrophobicContact CD2-CB 4.06Å; F21-H73 HydrophobicContact CE2-CB 4.16Å; F21-H73 AromaticContact CE2-CD2 3.9Å; F21-H73 AromaticContact CE2-CE1 3.99Å; F21-H73 AromaticContact CE2-CG 3.7Å; F21-H73 AromaticContact CE2-ND1 3.77Å
22I98.8Very high97.4Very high49 Ų4949.4 Ų49.425%0.25127%0.269SS..EExtended strand (participates in β ladder)trans-122.7133.4176.1-61168.2000107.8F8 T9 R20 V24 F35F8-I22 CarbonylContact C-O 3.57Å; F8-I22 WeakPolarHBondContact CA-O 3.34Å; T9-I22 PolarHBondContact N-O 2.97Å; T9-I22 PolarHBondContact O-N 3.36Å; R20-I22 HydrophobicContact CG-CG1 4.37Å; I22-V24 HydrophobicContact CG2-CG1 4.4Å; I22-F35 WeakPolarHBondContact CA-O 3.44Å
23A98.8Very high97.4Very high1 Ų148.6 Ų48.61%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-126.5138170.700000110.2F7 F8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.39Å; F8-A23 HydrophobicContact CD1-CB 3.33Å; F8-A23 HydrophobicContact CE1-CB 3.5Å; F8-A23 HydrophobicContact CG-CB 4.3Å; F21-A23 HydrophobicContact CE1-CB 3.73Å; F21-A23 HydrophobicContact CZ-CB 4.24Å; A23-R34 CarbonylContact O-C 3.56Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.13Å; A23-F35 HydrophobicContact CB-CB 4.32Å; A23-F35 PolarHBondContact N-O 2.82Å; A23-F35 PolarHBondContact O-N 3.15Å; A23-V66 HydrophobicContact CB-CG2 3.6Å
24V98.9Very high97.5Very high29 Ų2949.2 Ų49.218%0.17627%0.266CS..EExtended strand (participates in β ladder)trans-133.7144.4173-62.80000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.85Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 3.18Å; F7-V24 PolarHBondContact O-N 3.15Å; I22-V24 HydrophobicContact CG2-CG1 4.4Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.3Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; V24-V33 WeakPolarHBondContact CA-O 3.26Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.22Å
25G98.8Very high97.7Very high0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-118.2138.5176.300000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.57Å; R5-G25 WeakPolarHBondContact O-CA 3.44Å; G25-Q31 WeakPolarHBondContact O-CA 3.35Å; G25-F32 WeakPolarHBondContact O-CD1 3.39Å; G25-F32 PolarHBondContact O-N 2.6Å; G25-V33 PolarHBondContact N-O 2.83Å; G25-V33 VanDerWaalsContact N-O 3.13Å
26Y98.8Very high97.9Very high70 Ų7043 Ų4328%0.27521%0.208SC..EExtended strand (participates in β ladder)trans-125.5141.7178.3-77.5-101.9000110.8M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.29Å; R5-Y26 PolarHBondContact N-O 3.08Å; R5-Y26 PolarHBondContact O-N 2.85Å; F7-Y26 HydrophobicContact CD2-CD2 4.02Å; F7-Y26 AromaticContact CE2-CD2 4Å; F7-Y26 HydrophobicContact CE2-CD2 4Å; F7-Y26 HydrophobicContact CE2-CG 4.5Å; V24-Y26 HydrophobicContact CB-CE2 4.11Å; V24-Y26 HydrophobicContact CG2-CD2 4.3Å; V24-Y26 HydrophobicContact CG2-CE2 3.79Å; Y26-T30 WeakPolarHBondContact CA-O 3.42Å; Y26-T30 VanDerWaalsContact CD1-C 3.5Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.35Å; Y26-Q31 HydrophobicContact CE2-CB 4.07Å; Y26-Q31 HydrophobicContact CE2-CG 3.91Å
27V98.7Very high98.1Very high0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-110.2118.2155.9177.10000106.1S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.44Å; S3-V27 VanDerWaalsContact O-CA 3.3Å; S3-V27 WeakPolarHBondContact O-CA 3.46Å; M4-V27 HydrophobicContact CG-CG2 4.43Å; V27-D29 PolarHBondContact O-N 2.96Å; V27-T30 PolarHBondContact N-O 2.89Å; V27-T30 WeakPolarHBondContact O-CB 3.48Å; V27-T30 PolarHBondContact O-N 2.89Å; V27-F32 HydrophobicContact CG2-CD1 4.06Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; V27-W50 HydrophobicContact CG2-CH2 3.95Å; V27-W50 HydrophobicContact CG2-CZ2 4.46Å; V27-L167 HydrophobicContact CB-CD1 4.48Å; V27-L167 HydrophobicContact CG1-CD1 3.58Å; V27-L167 HydrophobicContact CG2-CD1 4.17Å; V27-Y170 HydrophobicContact CG2-CD2 3.94Å; V27-L171 HydrophobicContact CG1-CD2 3.79Å; V27-L171 HydrophobicContact CG1-CG 4.33Å; V27-L178 HydrophobicContact CB-CD1 4.29Å; V27-L178 HydrophobicContact CB-CD2 4.12Å; V27-L178 HydrophobicContact CG1-CD1 3.97Å; V27-L178 HydrophobicContact CG1-CD2 4.11Å
28D97.8Very high98.3Very high32 Ų3234.6 Ų34.617%0.17117%0.166CC..THydrogen-bonded Turntrans48.6-124.2-166.9-52.2-42.9000110.9H2 S3 T30H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 IonicContact CE1-OD2 3.59Å; H2-D28 IonicContact CG-OD2 3.52Å; H2-D28 IonicContact ND1-OD1 3.37Å; H2-D28 IonicContact ND1-OD2 2.82Å; H2-D28 PolarHBondContact ND1-OD2 2.88Å; S3-D28 PolarHBondContact N-OD1 2.93Å; S3-D28 PolarHBondContact O-N 2.84Å; S3-D28 PolarHBondContact OG-OD1 3.08Å; D28-T30 VanDerWaalsContact C-N 3.33Å
29D97.8Very high98.4Very high64 Ų6431.7 Ų31.734%0.34216%0.158SC..THydrogen-bonded Turntrans-91.78.6179.3-65.6-48.7000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.96Å; D29-Y208 HydrophobicContact CB-CE2 3.86Å; D29-P209 WeakPolarHBondContact OD2-CB 3.2Å; D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 3.49Å; D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.77Å
30T98.1Very high98.3Very high29 Ų2936.2 Ų36.218%0.17820%0.197CC..EExtended strand (participates in β ladder)trans-104.9113.3-176.8-60.90000111.8Y26 V27 D28 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.42Å; Y26-T30 VanDerWaalsContact CD1-C 3.5Å; V27-T30 PolarHBondContact N-O 2.89Å; V27-T30 WeakPolarHBondContact O-CB 3.48Å; V27-T30 PolarHBondContact O-N 2.89Å; D28-T30 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 2.9Å; T30-L178 HydrophobicContact CG2-CD2 3.94Å; T30-Y208 PolarHBondContact OG1-OH 2.03Å; T30-Y208 VanDerWaalsContact OG1-OH 3.08Å
31Q98.4Very high98Very high54 Ų5434.7 Ų34.725%0.25220%0.201SC..EExtended strand (participates in β ladder)trans-68.9130172.4-168.4-179.3-0.600110.4V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.27Å; G25-Q31 WeakPolarHBondContact O-CA 3.35Å; Y26-Q31 HydrophobicContact CD1-CB 4.09Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.35Å; Y26-Q31 HydrophobicContact CE2-CB 4.07Å; Y26-Q31 HydrophobicContact CE2-CG 3.91Å; Q31-V33 PolarHBondContact NE2-O 3.3Å; Q31-R47 HydrophobicContact CG-CB 4.18Å; Q31-R47 HydrophobicContact CG-CG 4.4Å
32F98.6Very high97.8Very high0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-120.5-22.2-179.474.7-84.1000114.7M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.36Å; Y6-F32 HydrophobicContact CE1-CZ 4.06Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.22Å; G25-F32 WeakPolarHBondContact O-CD1 3.39Å; G25-F32 PolarHBondContact O-N 2.6Å; V27-F32 HydrophobicContact CG2-CD1 4.06Å; V27-F32 HydrophobicContact CG2-CE1 4.09Å; T30-F32 PolarHBondContact O-N 2.9Å; F32-R47 PolarHBondContact O-N 2.94Å; F32-A48 HydrophobicContact CB-CB 4.08Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 3.98Å; F32-W50 AromaticContact CD1-CH2 4Å; F32-W50 HydrophobicContact CD1-CH2 4Å; F32-W50 AromaticContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.05Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 4.06Å; F32-I51 HydrophobicContact CD2-CG1 4.09Å; F32-I51 HydrophobicContact CE2-CD1 4.38Å; F32-I51 WeakPolarHBondContact O-CG2 3.3Å; F32-Y170 HydrophobicContact CE2-CD2 4.4Å; F32-Y170 AromaticContact CE2-CE2 3.75Å; F32-Y170 HydrophobicContact CE2-CE2 3.75Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.84Å; F32-Y170 HydrophobicContact CZ-CE2 3.84Å
33V98.8Very high97.8Very high2 Ų242.3 Ų42.31%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-140.4155.6176.2-72.40000112.8Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4.05Å; V24-V33 WeakPolarHBondContact CA-O 3.26Å; G25-V33 PolarHBondContact N-O 2.83Å; G25-V33 VanDerWaalsContact N-O 3.13Å; Q31-V33 PolarHBondContact NE2-O 3.3Å; V33-M44 HydrophobicContact CB-CG 4.06Å; V33-M44 HydrophobicContact CB-SD 3.73Å; V33-M44 HydrophobicContact CG1-CG 4.13Å; V33-M44 HydrophobicContact CG1-SD 4.44Å; V33-M44 HydrophobicContact CG2-SD 4.1Å; V33-E45 WeakPolarHBondContact CA-O 3.34Å; V33-I51 HydrophobicContact CG1-CG1 4.46Å; V33-W59 HydrophobicContact CG1-CH2 4.04Å; V33-W59 HydrophobicContact CG1-CZ3 3.88Å
34R98.6Very high97.8Very high87 Ų8742.8 Ų42.833%0.32823%0.232SC..EExtended strand (participates in β ladder)trans-144.8144172.2179.5174.6170.6171.6-2.8111.5A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.56Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.13Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.22Å; R34-D36 IonicContact NH2-OD2 3.08Å; R34-D36 PolarHBondContact NH2-OD2 2.99Å; R34-D36 VanDerWaalsContact NH2-OD2 3.08Å; R34-M44 VanDerWaalsContact C-SD 3.53Å; R34-E45 PolarHBondContact N-O 2.8Å; R34-E45 PolarHBondContact O-N 3.34Å; R34-R47 HydrophobicContact CB-CG 3.93Å
35F98.8Very high97.8Very high2 Ų244.2 Ų44.21%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-130.7144.8163.5174.3-87.3000109.7F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.84Å; F21-F35 HydrophobicContact CD1-CD1 3.84Å; F21-F35 AromaticContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 4.22Å; I22-F35 WeakPolarHBondContact CA-O 3.44Å; A23-F35 HydrophobicContact CB-CB 4.32Å; A23-F35 PolarHBondContact N-O 2.82Å; A23-F35 PolarHBondContact O-N 3.15Å; F35-Q42 VanDerWaalsContact CE2-C 3.5Å; F35-Q42 HydrophobicContact CE2-CB 4.2Å; F35-Q42 WeakPolarHBondContact CE2-O 3.49Å; F35-Q42 HydrophobicContact CZ-CB 4.34Å; F35-R43 WeakPolarHBondContact CD2-O 3.35Å; F35-M44 HydrophobicContact CB-CE 4.19Å; F35-M44 HydrophobicContact CB-SD 3.94Å; F35-V66 HydrophobicContact CB-CB 4.5Å; F35-V66 HydrophobicContact CB-CG1 3.95Å; F35-V66 HydrophobicContact CB-CG2 3.8Å; F35-V66 HydrophobicContact CD1-CG1 4.01Å; F35-V66 HydrophobicContact CD1-CG2 3.81Å; F35-V66 HydrophobicContact CD2-CG1 3.27Å; F35-V66 HydrophobicContact CD2-CG2 4.44Å; F35-V66 HydrophobicContact CE1-CG1 4.34Å; F35-V66 HydrophobicContact CE2-CG1 3.64Å; F35-V66 HydrophobicContact CG-CB 4.29Å; F35-V66 HydrophobicContact CG-CG1 3.47Å; F35-V66 VanDerWaalsContact CG-CG1 3.47Å; F35-V66 HydrophobicContact CG-CG2 3.76Å; F35-V66 HydrophobicContact CZ-CG1 4.18Å; F35-K67 HydrophobicContact CE2-CG 4.14Å; F35-K67 HydrophobicContact CZ-CG 4.04Å
36D98.6Very high97.7Very high14 Ų1446.5 Ų46.58%0.07525%0.252CS..EExtended strand (participates in β ladder)trans-140.7120.7175.5-163.7-27.3000109R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.64Å; R20-D36 IonicContact CZ-OD2 3.61Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 3.34Å; R20-D36 IonicContact NE-OD2 2.68Å; R20-D36 IonicContact NH2-OD1 3.44Å; R20-D36 PolarHBondContact NH2-OD1 2.72Å; R20-D36 IonicContact NH2-OD2 2.69Å; R20-D36 PolarHBondContact NH2-OD2 3.38Å; R34-D36 IonicContact NH2-OD2 3.08Å; R34-D36 PolarHBondContact NH2-OD2 2.99Å; R34-D36 VanDerWaalsContact NH2-OD2 3.08Å; D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 PolarHBondContact OD1-N 2.88Å; D36-D38 VanDerWaalsContact OD1-N 3.16Å; D36-A39 HydrophobicContact CB-CB 4.16Å; D36-A39 WeakPolarHBondContact O-CB 2.93Å; D36-A39 PolarHBondContact O-N 2.91Å; D36-A39 VanDerWaalsContact O-N 3.13Å
37S98.2Very high97.7Very high16 Ų1648.7 Ų48.711%0.11226%0.26CS..THydrogen-bonded Turntrans-65.9-21-179.5670000113R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.5Å; F21-S37 PolarHBondContact N-OG 2.68Å; F21-S37 PolarHBondContact O-N 2.82Å; F21-S37 PolarHBondContact O-OG 2.85Å; S37-Q42 PolarHBondContact O-NE2 3Å
38D97.7Very high97.6Very high71 Ų7148.9 Ų48.938%0.3826%0.261SS..THydrogen-bonded Turntrans-87.8-6.1177.9-75.15.1000112.4R13 R20 D36R13-D38 IonicContact CZ-OD1 3.68Å; R13-D38 IonicContact CZ-OD2 3.86Å; R13-D38 IonicContact NH1-OD1 3.52Å; R13-D38 IonicContact NH1-OD2 3.56Å; R13-D38 PolarHBondContact NH1-OD2 2.95Å; R13-D38 IonicContact NH2-OD1 3.54Å; R13-D38 PolarHBondContact NH2-OD1 3.4Å; R13-D38 IonicContact NH2-OD2 2.83Å; R20-D38 VanDerWaalsContact CD-OD2 3.27Å; R20-D38 WeakPolarHBondContact CD-OD2 3.43Å; R20-D38 HydrophobicContact CG-CB 4.42Å; R20-D38 IonicContact NE-OD2 3.83Å; D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 PolarHBondContact OD1-N 2.88Å; D36-D38 VanDerWaalsContact OD1-N 3.16Å
39A96.9Very high97.6Very high32 Ų3252.2 Ų52.226%0.26429%0.285SS..SBendtrans-71.1147.8174.500000111.2D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.16Å; D36-A39 WeakPolarHBondContact O-CB 2.93Å; D36-A39 PolarHBondContact O-N 2.91Å; D36-A39 VanDerWaalsContact O-N 3.13Å; A39-S41 VanDerWaalsContact C-N 3.33Å; A39-S41 PolarHBondContact O-N 3.03Å; A39-Q42 WeakPolarHBondContact O-CG 3.19Å; A39-Q42 PolarHBondContact O-N 3.37Å
40A95.7Very high97.6Very high117 Ų11750 Ų5097%0.96727%0.271SS*.SBendtrans-63.3-35.7-178.900000113.6
41S92Very high97.6Very high60 Ų6048.6 Ų48.642%0.4226%0.263SS..SBendtrans-79.5-30.7-179.358.90000112.7A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.33Å; A39-S41 PolarHBondContact O-N 3.03Å; S41-R43 VanDerWaalsContact C-N 3.28Å; S41-R43 WeakPolarHBondContact O-CG 3.03Å; S41-R43 PolarHBondContact O-N 3.31Å; S41-E45 PolarHBondContact OG-OE1 3.01Å
42Q96.2Very high97.5Very high83 Ų8352 Ų5239%0.38828%0.279SS..  trans41.654-170.4-57.5-176.4-21.300112.1F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.5Å; F35-Q42 HydrophobicContact CE2-CB 4.2Å; F35-Q42 WeakPolarHBondContact CE2-O 3.49Å; F35-Q42 HydrophobicContact CZ-CB 4.34Å; S37-Q42 PolarHBondContact O-NE2 3Å; A39-Q42 WeakPolarHBondContact O-CG 3.19Å; A39-Q42 PolarHBondContact O-N 3.37Å; Q42-K67 WeakPolarHBondContact O-CE 3.36Å; Q42-K67 PolarHBondContact O-NZ 3.13Å; Q42-K67 VanDerWaalsContact O-NZ 3.17Å
43R98Very high97.4Very high126 Ų12657.5 Ų57.548%0.47531%0.305SS..  trans-120158.5174.7-61.7-172.993.9153.61.4110.6F35 S41 E45 D60 T63F35-R43 WeakPolarHBondContact CD2-O 3.35Å; S41-R43 VanDerWaalsContact C-N 3.28Å; S41-R43 WeakPolarHBondContact O-CG 3.03Å; S41-R43 PolarHBondContact O-N 3.31Å; R43-E45 PolarHBondContact O-N 2.99Å; R43-D60 IonicContact CZ-OD1 2.98Å; R43-D60 IonicContact NH2-OD1 3.66Å; R43-D60 PolarHBondContact NH2-OD1 2.74Å; R43-T63 HydrophobicContact CB-CG2 4.37Å; R43-T63 HydrophobicContact CG-CG2 4.32Å
44M98.4Very high97.4Very high11 Ų1158.1 Ų58.15%0.05431%0.307CS..  trans-69.2126.8165.1-170.165.278.800108V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.06Å; V33-M44 HydrophobicContact CB-SD 3.73Å; V33-M44 HydrophobicContact CG1-CG 4.13Å; V33-M44 HydrophobicContact CG1-SD 4.44Å; V33-M44 HydrophobicContact CG2-SD 4.1Å; R34-M44 VanDerWaalsContact C-SD 3.53Å; F35-M44 HydrophobicContact CB-CE 4.19Å; F35-M44 HydrophobicContact CB-SD 3.94Å; M44-W59 HydrophobicContact CB-CE3 4.26Å; M44-W59 HydrophobicContact CB-CZ3 4.5Å; M44-W59 HydrophobicContact CG-CE3 4.25Å; M44-W59 HydrophobicContact CG-CZ3 4.03Å; M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.43Å; M44-E62 HydrophobicContact CG-CB 4.1Å; M44-T63 PolarHBondContact N-OG1 2.98Å; M44-V66 HydrophobicContact CE-CB 3.83Å; M44-V66 HydrophobicContact CE-CG1 4.06Å; M44-V66 HydrophobicContact CE-CG2 3.92Å
45E98.3Very high97.3Very high58 Ų5855.3 Ų55.327%0.27131%0.306SS..EExtended strand (participates in β ladder)trans-115.9139.7-173.6-66.3175.2165.500110.6V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.34Å; R34-E45 PolarHBondContact N-O 2.8Å; R34-E45 PolarHBondContact O-N 3.34Å; S41-E45 PolarHBondContact OG-OE1 3.01Å; R43-E45 PolarHBondContact O-N 2.99Å; E45-R47 IonicContact OE2-CZ 3.67Å; E45-R47 IonicContact OE2-NH2 2.66Å; E45-R47 PolarHBondContact OE2-NH2 2.86Å
46P98.4Very high97.3Very high49 Ų4959.3 Ų59.332%0.31833%0.332SS..EExtended strand (participates in β ladder)trans-66.8145.317429.2-35000111.3I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.7Å; P46-E52 HydrophobicContact CB-CG 3.84Å; P46-E52 HydrophobicContact CG-CG 4.16Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 3.98Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.45Å
47R98.1Very high97.3Very high115 Ų11565.6 Ų65.643%0.43436%0.361SS..  trans-130.1-0.7174.5-61-64172.8-157.10113.6Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.18Å; Q31-R47 HydrophobicContact CG-CG 4.4Å; F32-R47 PolarHBondContact O-N 2.94Å; R34-R47 HydrophobicContact CB-CG 3.93Å; E45-R47 IonicContact OE2-CZ 3.67Å; E45-R47 IonicContact OE2-NH2 2.66Å; E45-R47 PolarHBondContact OE2-NH2 2.86Å
48A97.3Very high97.3Very high4 Ų465.8 Ų65.83%0.03336%0.359CS..SBendtrans-137145.1173.400000110.7F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.08Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.19Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.49Å; A48-I51 VanDerWaalsContact O-CG2 3.27Å; A48-I51 WeakPolarHBondContact O-CG2 3.35Å; A48-I51 PolarHBondContact O-N 3.16Å
49P97.3Very high97.3Very high103 Ų10364.2 Ų64.267%0.66935%0.348SS*.G310 helixtrans-59.2-37-176.7-26.535000114I51 E52P49-I51 VanDerWaalsContact C-N 3.25Å; P49-I51 PolarHBondContact O-N 3.01Å; P49-E52 WeakPolarHBondContact O-CB 3.22Å; P49-E52 PolarHBondContact O-N 2.98Å; P49-E52 VanDerWaalsContact O-N 3.14Å
50W97.3Very high97.4Very high16 Ų1665.8 Ų65.86%0.06135%0.352CS..G310 helixtrans-71-14.2-174.653-105.9000114.6V27 F32 A48 Q53 Y170 L178V27-W50 HydrophobicContact CG2-CH2 3.95Å; V27-W50 HydrophobicContact CG2-CZ2 4.46Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 3.98Å; F32-W50 AromaticContact CD1-CH2 4Å; F32-W50 HydrophobicContact CD1-CH2 4Å; F32-W50 AromaticContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CH2 3.76Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.05Å; F32-W50 HydrophobicContact CG-CZ3 4.14Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.19Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 HydrophobicContact CB-CZ2 4Å; A48-W50 PolarHBondContact O-N 3.49Å; W50-Q53 WeakPolarHBondContact O-CG 3.42Å; W50-Q53 PolarHBondContact O-NE2 2.85Å; W50-Y170 HydrophobicContact CE3-CD1 4.4Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.14Å; W50-Y170 AromaticContact CZ3-CD1 3.71Å; W50-Y170 HydrophobicContact CZ3-CD1 3.71Å; W50-Y170 HydrophobicContact CZ3-CD2 4.27Å; W50-Y170 HydrophobicContact CZ3-CE1 4.45Å; W50-Y170 AromaticContact CZ3-CG 3.61Å; W50-Y170 HydrophobicContact CZ3-CG 3.61Å; W50-L178 HydrophobicContact CD2-CD1 4.32Å; W50-L178 HydrophobicContact CH2-CD1 4.29Å; W50-L178 HydrophobicContact CZ2-CD1 3.75Å; W50-L178 HydrophobicContact CZ2-CD2 4.05Å; W50-L178 HydrophobicContact CZ2-CG 4.34Å
51I98.2Very high97.5Very high0 Ų060.8 Ų60.80%031%0.312CS..G310 helixtrans-89.3-18.6173.6-160.872.4000111.9F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 4.06Å; F32-I51 HydrophobicContact CD2-CG1 4.09Å; F32-I51 HydrophobicContact CE2-CD1 4.38Å; F32-I51 WeakPolarHBondContact O-CG2 3.3Å; V33-I51 HydrophobicContact CG1-CG1 4.46Å; P46-I51 HydrophobicContact CB-CG2 3.7Å; A48-I51 VanDerWaalsContact O-CG2 3.27Å; A48-I51 WeakPolarHBondContact O-CG2 3.35Å; A48-I51 PolarHBondContact O-N 3.16Å; P49-I51 VanDerWaalsContact C-N 3.25Å; P49-I51 PolarHBondContact O-N 3.01Å; I51-Q53 PolarHBondContact O-N 2.94Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; I51-E54 HydrophobicContact CD1-CG 3.64Å; I51-E54 HydrophobicContact CG1-CG 4.1Å; I51-E54 WeakPolarHBondContact O-CB 3.45Å; I51-E54 WeakPolarHBondContact O-CG 3.39Å; I51-E54 PolarHBondContact O-N 2.94Å; I51-Y58 HydrophobicContact CD1-CE1 4.25Å; I51-Y58 HydrophobicContact CG1-CE1 4.18Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.82Å; I51-W59 HydrophobicContact CG1-CZ2 4.03Å; I51-W59 HydrophobicContact CG2-CH2 3.83Å; I51-W59 HydrophobicContact CG2-CZ2 4.17Å; I51-W59 WeakPolarHBondContact O-CZ2 3.19Å; I51-Y170 HydrophobicContact CD1-CD1 3.77Å; I51-Y170 HydrophobicContact CD1-CE1 3.24Å
52E97.2Very high97.8Very high125 Ų12559 Ų5958%0.58430%0.297SS*.THydrogen-bonded Turntrans-63.9-22.4-176.6-64.5-178.4-175.300113.2P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.84Å; P46-E52 HydrophobicContact CG-CG 4.16Å; P49-E52 WeakPolarHBondContact O-CB 3.22Å; P49-E52 PolarHBondContact O-N 2.98Å; P49-E52 VanDerWaalsContact O-N 3.14Å; E52-E54 PolarHBondContact O-N 3.47Å
53Q96.3Very high97.9Very high117 Ų11755.6 Ų55.655%0.54728%0.282SS..THydrogen-bonded Turntrans-72.1-12.617569.6-173.9-33.100114.2W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.42Å; W50-Q53 PolarHBondContact O-NE2 2.85Å; I51-Q53 PolarHBondContact O-N 2.94Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; Q53-N173 PolarHBondContact NE2-ND2 3.11Å
54E97.9Very high97.9Very high14 Ų1457.7 Ų57.77%0.06529%0.29CS..SBendtrans-66.3138.1176.2-64.6-60.2163.600110.9I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.64Å; I51-E54 HydrophobicContact CG1-CG 4.1Å; I51-E54 WeakPolarHBondContact O-CB 3.45Å; I51-E54 WeakPolarHBondContact O-CG 3.39Å; I51-E54 PolarHBondContact O-N 2.94Å; E52-E54 PolarHBondContact O-N 3.47Å; E54-Y58 HydrophobicContact CB-CD1 3.64Å; E54-Y58 HydrophobicContact CB-CD2 4.41Å; E54-Y58 HydrophobicContact CB-CE1 4.26Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.13Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.34Å; E54-Y58 HydrophobicContact CG-CG 4.15Å; E54-W59 PolarHBondContact O-NE1 2.96Å; E54-R169 IonicContact OE1-CZ 2.81Å; E54-R169 IonicContact OE1-NE 3.23Å; E54-R169 PolarHBondContact OE1-NE 3.05Å; E54-R169 IonicContact OE1-NH2 3.03Å; E54-R169 PolarHBondContact OE1-NH2 3.5Å; E54-R169 VanDerWaalsContact OE1-NH2 3.13Å; E54-R169 IonicContact OE2-CZ 2.7Å; E54-R169 IonicContact OE2-NE 3.58Å; E54-R169 IonicContact OE2-NH2 2.97Å; E54-R169 PolarHBondContact OE2-NH2 3.33Å; E54-N173 PolarHBondContact OE1-ND2 3.29Å
55G97.4Very high97.9Very high29 Ų2962.4 Ų62.430%0.29931%0.31SS..  trans-69.6167.3-174.800000114.1E57 Y58 W59G55-E57 PolarHBondContact O-N 3.01Å; G55-E57 VanDerWaalsContact O-N 3.17Å; G55-Y58 WeakPolarHBondContact O-CB 3.46Å; G55-Y58 PolarHBondContact O-N 2.81Å; G55-W59 VanDerWaalsContact O-CD1 3.27Å; G55-W59 PolarHBondContact O-N 2.95Å
56P97.7Very high97.9Very high86 Ų8659.8 Ų59.856%0.55830%0.298SS*.Hα-helixtrans-57.3-31.2179.421.7-30.8000113.3Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.31Å; P56-W59 PolarHBondContact O-N 2.62Å; P56-D60 WeakPolarHBondContact O-CB 3.4Å; P56-D60 PolarHBondContact O-N 3.37Å
57E98.1Very high97.9Very high146 Ų14661.4 Ų61.468%0.68230%0.3SS*.Hα-helixtrans-62.6-36.3177.2-6277.4-169.500112.4G55 G61G55-E57 PolarHBondContact O-N 3.01Å; G55-E57 VanDerWaalsContact O-N 3.17Å; E57-G61 PolarHBondContact O-N 2.82Å
58Y98.2Very high97.9Very high20 Ų2058.6 Ų58.68%0.07830%0.301CS..Hα-helixtrans-63.5-54.2174.1173-91000109.9I51 E54 G55 P56 D60 G61 E62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.25Å; I51-Y58 HydrophobicContact CG1-CE1 4.18Å; E54-Y58 HydrophobicContact CB-CD1 3.64Å; E54-Y58 HydrophobicContact CB-CD2 4.41Å; E54-Y58 HydrophobicContact CB-CE1 4.26Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.13Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.34Å; E54-Y58 HydrophobicContact CG-CG 4.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.46Å; G55-Y58 PolarHBondContact O-N 2.81Å; P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.31Å; Y58-D60 VanDerWaalsContact C-N 3.35Å; Y58-D60 PolarHBondContact O-N 3.22Å; Y58-G61 WeakPolarHBondContact O-CA 3.3Å; Y58-G61 PolarHBondContact O-N 3.08Å; Y58-G61 VanDerWaalsContact O-N 3.13Å; Y58-E62 HydrophobicContact CD1-CG 4.28Å; Y58-E62 HydrophobicContact CD2-CG 4.28Å; Y58-E62 HydrophobicContact CE1-CG 3.92Å; Y58-E62 HydrophobicContact CE2-CG 3.95Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CG 3.39Å; Y58-E62 PolarHBondContact O-N 2.69Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.18Å; Y58-W166 AromaticContact CD2-CZ3 3.86Å; Y58-W166 HydrophobicContact CD2-CZ3 3.86Å; Y58-W166 HydrophobicContact CE2-CE3 4.27Å; Y58-W166 AromaticContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CZ2 4.38Å; Y58-W166 AromaticContact CE2-CZ3 3.73Å; Y58-W166 HydrophobicContact CE2-CZ3 3.73Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.3Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.38Å; Y58-Y170 PolarHBondContact OH-OH 2.85Å
59W98.5Very high97.9Very high37 Ų3760.8 Ų60.814%0.1431%0.311CS..Hα-helixtrans-62.7-40.1-176.9-65.3112000112.9V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.04Å; V33-W59 HydrophobicContact CG1-CZ3 3.88Å; M44-W59 HydrophobicContact CB-CE3 4.26Å; M44-W59 HydrophobicContact CB-CZ3 4.5Å; M44-W59 HydrophobicContact CG-CE3 4.25Å; M44-W59 HydrophobicContact CG-CZ3 4.03Å; P46-W59 HydrophobicContact CB-CH2 3.65Å; P46-W59 HydrophobicContact CB-CZ2 3.98Å; P46-W59 HydrophobicContact CG-CH2 4.3Å; P46-W59 HydrophobicContact CG-CZ2 4.45Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.82Å; I51-W59 HydrophobicContact CG1-CZ2 4.03Å; I51-W59 HydrophobicContact CG2-CH2 3.83Å; I51-W59 HydrophobicContact CG2-CZ2 4.17Å; I51-W59 WeakPolarHBondContact O-CZ2 3.19Å; E54-W59 PolarHBondContact O-NE1 2.96Å; G55-W59 VanDerWaalsContact O-CD1 3.27Å; G55-W59 PolarHBondContact O-N 2.95Å; P56-W59 PolarHBondContact O-N 2.62Å; W59-T63 WeakPolarHBondContact O-CB 3.39Å; W59-T63 PolarHBondContact O-N 3.22Å; W59-T63 PolarHBondContact O-OG1 2.8Å
60D98.4Very high97.9Very high65 Ų6556.6 Ų56.635%0.34828%0.284SS..Hα-helixtrans-70.7-34.6175.9-74.7-16000112.2R43 P56 Y58 R64R43-D60 IonicContact CZ-OD1 2.98Å; R43-D60 IonicContact NH2-OD1 3.66Å; R43-D60 PolarHBondContact NH2-OD1 2.74Å; P56-D60 WeakPolarHBondContact O-CB 3.4Å; P56-D60 PolarHBondContact O-N 3.37Å; Y58-D60 VanDerWaalsContact C-N 3.35Å; Y58-D60 PolarHBondContact O-N 3.22Å; D60-R64 WeakPolarHBondContact O-CB 3.33Å; D60-R64 WeakPolarHBondContact O-CG 3.36Å; D60-R64 PolarHBondContact O-N 3.2Å; D60-R64 VanDerWaalsContact O-N 3.1Å; D60-R64 PolarHBondContact O-NE 3.2Å; D60-R64 VanDerWaalsContact O-NE 3.11Å
61G98.3Very high97.9Very high12 Ų1261 Ų6112%0.12431%0.305CS..Hα-helixtrans-63.7-54172.500000112.1E57 Y58 T63 R64 K65E57-G61 PolarHBondContact O-N 2.82Å; Y58-G61 WeakPolarHBondContact O-CA 3.3Å; Y58-G61 PolarHBondContact O-N 3.08Å; Y58-G61 VanDerWaalsContact O-N 3.13Å; G61-T63 VanDerWaalsContact C-N 3.35Å; G61-T63 PolarHBondContact O-N 2.94Å; G61-R64 PolarHBondContact O-N 3.27Å; G61-K65 WeakPolarHBondContact O-CG 3.46Å; G61-K65 PolarHBondContact O-N 2.97Å
62E98.3Very high97.9Very high23 Ų2364.1 Ų64.111%0.10732%0.324CS..Hα-helixtrans-64.6-38.9-179.9-66.7-48.5116.300111.8M44 Y58 R64 K65 V66M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.43Å; M44-E62 HydrophobicContact CG-CB 4.1Å; Y58-E62 HydrophobicContact CD1-CG 4.28Å; Y58-E62 HydrophobicContact CD2-CG 4.28Å; Y58-E62 HydrophobicContact CE1-CG 3.92Å; Y58-E62 HydrophobicContact CE2-CG 3.95Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CG 3.39Å; Y58-E62 PolarHBondContact O-N 2.69Å; E62-R64 VanDerWaalsContact C-N 3.35Å; E62-R64 PolarHBondContact O-N 3.41Å; E62-K65 PolarHBondContact O-N 3.16Å; E62-K65 IonicContact OE1-NZ 3.92Å; E62-K65 PolarHBondContact OE1-NZ 3.44Å; E62-V66 WeakPolarHBondContact O-CB 3.36Å; E62-V66 WeakPolarHBondContact O-CG1 3.28Å; E62-V66 PolarHBondContact O-N 2.66Å
63T98.6Very high97.9Very high11 Ų1158.1 Ų58.17%0.06730%0.296CS..Hα-helixtrans-61.7-41.4173.8-62.70000111.8R43 M44 W59 G61 V66 K67R43-T63 HydrophobicContact CB-CG2 4.37Å; R43-T63 HydrophobicContact CG-CG2 4.32Å; M44-T63 PolarHBondContact N-OG1 2.98Å; W59-T63 WeakPolarHBondContact O-CB 3.39Å; W59-T63 PolarHBondContact O-N 3.22Å; W59-T63 PolarHBondContact O-OG1 2.8Å; G61-T63 VanDerWaalsContact C-N 3.35Å; G61-T63 PolarHBondContact O-N 2.94Å; T63-V66 WeakPolarHBondContact O-CG1 3.5Å; T63-K67 HydrophobicContact CG2-CD 4.29Å; T63-K67 WeakPolarHBondContact O-CB 3.41Å; T63-K67 VanDerWaalsContact O-CG 3.32Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 2.83Å; T63-K67 VanDerWaalsContact O-N 3.13Å
64R98.4Very high97.9Very high171 Ų17157.6 Ų57.665%0.64529%0.289SS*.Hα-helixtrans-66.2-45.2176-80.7-179.6-74.3132.9-7.5111.8D60 G61 E62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.33Å; D60-R64 WeakPolarHBondContact O-CG 3.36Å; D60-R64 PolarHBondContact O-N 3.2Å; D60-R64 VanDerWaalsContact O-N 3.1Å; D60-R64 PolarHBondContact O-NE 3.2Å; D60-R64 VanDerWaalsContact O-NE 3.11Å; G61-R64 PolarHBondContact O-N 3.27Å; E62-R64 VanDerWaalsContact C-N 3.35Å; E62-R64 PolarHBondContact O-N 3.41Å; R64-K67 PolarHBondContact O-N 3.17Å; R64-A68 PolarHBondContact O-N 3.34Å
65K97.8Very high97.9Very high109 Ų10961.4 Ų61.447%0.47431%0.313SS..Hα-helixtrans-59.9-47.7178.4-70.5173.6-169.4167.30111.7G61 E62 K67 A68 H69G61-K65 WeakPolarHBondContact O-CG 3.46Å; G61-K65 PolarHBondContact O-N 2.97Å; E62-K65 PolarHBondContact O-N 3.16Å; E62-K65 IonicContact OE1-NZ 3.92Å; E62-K65 PolarHBondContact OE1-NZ 3.44Å; K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 3.08Å; K65-A68 WeakPolarHBondContact O-CB 3.47Å; K65-A68 PolarHBondContact O-N 2.99Å; K65-H69 PolarHBondContact O-CD2 2.83Å; K65-H69 VanDerWaalsContact O-CD2 3.3Å; K65-H69 PolarHBondContact O-N 3.35Å
66V97.8Very high97.9Very high3 Ų362.1 Ų62.12%0.01831%0.31CS..Hα-helixtrans-69.1-33.6-177.3800000112.2F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CD1-CG2 4.44Å; F21-V66 HydrophobicContact CE1-CG2 3.57Å; F21-V66 HydrophobicContact CZ-CG2 4.37Å; A23-V66 HydrophobicContact CB-CG2 3.6Å; F35-V66 HydrophobicContact CB-CB 4.5Å; F35-V66 HydrophobicContact CB-CG1 3.95Å; F35-V66 HydrophobicContact CB-CG2 3.8Å; F35-V66 HydrophobicContact CD1-CG1 4.01Å; F35-V66 HydrophobicContact CD1-CG2 3.81Å; F35-V66 HydrophobicContact CD2-CG1 3.27Å; F35-V66 HydrophobicContact CD2-CG2 4.44Å; F35-V66 HydrophobicContact CE1-CG1 4.34Å; F35-V66 HydrophobicContact CE2-CG1 3.64Å; F35-V66 HydrophobicContact CG-CB 4.29Å; F35-V66 HydrophobicContact CG-CG1 3.47Å; F35-V66 VanDerWaalsContact CG-CG1 3.47Å; F35-V66 HydrophobicContact CG-CG2 3.76Å; F35-V66 HydrophobicContact CZ-CG1 4.18Å; M44-V66 HydrophobicContact CE-CB 3.83Å; M44-V66 HydrophobicContact CE-CG1 4.06Å; M44-V66 HydrophobicContact CE-CG2 3.92Å; E62-V66 WeakPolarHBondContact O-CB 3.36Å; E62-V66 WeakPolarHBondContact O-CG1 3.28Å; E62-V66 PolarHBondContact O-N 2.66Å; T63-V66 WeakPolarHBondContact O-CG1 3.5Å; V66-H69 PolarHBondContact O-N 2.89Å; V66-S70 PolarHBondContact O-N 2.76Å
67K98.2Very high97.9Very high83 Ų8358.5 Ų58.536%0.36129%0.286SS..Hα-helixtrans-65.5-40.2170.6-76.5-176.7178.6-176.50112.2F35 Q42 T63 R64 K65 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.14Å; F35-K67 HydrophobicContact CZ-CG 4.04Å; Q42-K67 WeakPolarHBondContact O-CE 3.36Å; Q42-K67 PolarHBondContact O-NZ 3.13Å; Q42-K67 VanDerWaalsContact O-NZ 3.17Å; T63-K67 HydrophobicContact CG2-CD 4.29Å; T63-K67 WeakPolarHBondContact O-CB 3.41Å; T63-K67 VanDerWaalsContact O-CG 3.32Å; T63-K67 WeakPolarHBondContact O-CG 3.39Å; T63-K67 PolarHBondContact O-N 2.83Å; T63-K67 VanDerWaalsContact O-N 3.13Å; R64-K67 PolarHBondContact O-N 3.17Å; K65-K67 VanDerWaalsContact C-N 3.35Å; K65-K67 PolarHBondContact O-N 3.08Å; K67-S70 WeakPolarHBondContact O-CB 3.48Å; K67-S70 PolarHBondContact O-N 2.89Å; K67-Q71 PolarHBondContact O-N 2.78Å; K67-Q71 VanDerWaalsContact O-N 3.16Å
68A98.2Very high97.9Very high56 Ų5653.3 Ų53.346%0.46327%0.272SS..Hα-helixtrans-62.1-45.3173.600000111.2R64 K65 S70 Q71 T72R64-A68 PolarHBondContact O-N 3.34Å; K65-A68 WeakPolarHBondContact O-CB 3.47Å; K65-A68 PolarHBondContact O-N 2.99Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 2.74Å; A68-Q71 PolarHBondContact O-N 3.25Å; A68-Q71 VanDerWaalsContact O-N 3.14Å; A68-T72 PolarHBondContact O-N 2.78Å; A68-T72 PolarHBondContact O-OG1 3.19Å
69H97.6Very high97.8Very high50 Ų5054.8 Ų54.823%0.23128%0.283CS..Hα-helixtrans-61.2-38.2174.8-73.5-46.6000113.1F8 F21 K65 V66 Q71 T72 H73 R96F8-H69 HydrophobicContact CD2-CB 4.38Å; F8-H69 HydrophobicContact CE2-CB 4.04Å; F8-H69 AromaticContact CE2-CD2 3.56Å; F8-H69 AromaticContact CE2-CG 3.75Å; F8-H69 AromaticContact CZ-CD2 3.98Å; F21-H69 HydrophobicContact CE2-CB 4.48Å; F21-H69 HydrophobicContact CZ-CB 4.04Å; K65-H69 PolarHBondContact O-CD2 2.83Å; K65-H69 VanDerWaalsContact O-CD2 3.3Å; K65-H69 PolarHBondContact O-N 3.35Å; V66-H69 PolarHBondContact O-N 2.89Å; H69-Q71 VanDerWaalsContact C-N 3.31Å; H69-Q71 PolarHBondContact O-N 3.16Å; H69-T72 PolarHBondContact O-N 3.31Å; H69-H73 PolarHBondContact O-CD2 3.36Å; H69-H73 PolarHBondContact O-N 2.89Å; H69-R96 PolarHBondContact CE1-NH1 3.06Å; H69-R96 PolarHBondContact ND1-NH1 3.22Å
70S97.7Very high97.8Very high16 Ų1653.6 Ų53.611%0.11228%0.279CS..Hα-helixtrans-58.8-41.7173.6173.70000112.2F21 V66 K67 A68 R74F21-S70 WeakPolarHBondContact CB-OG 3.22Å; V66-S70 PolarHBondContact O-N 2.76Å; K67-S70 WeakPolarHBondContact O-CB 3.48Å; K67-S70 PolarHBondContact O-N 2.89Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 2.74Å; S70-R74 PolarHBondContact O-N 3.37Å; S70-R74 VanDerWaalsContact O-N 3.12Å
71Q97.6Very high97.7Very high108 Ų10854 Ų5451%0.50528%0.276SS..Hα-helixtrans-69.1-40.3175.1-62-53-44.800112.4K67 A68 H69 R74 V75K67-Q71 PolarHBondContact O-N 2.78Å; K67-Q71 VanDerWaalsContact O-N 3.16Å; A68-Q71 PolarHBondContact O-N 3.25Å; A68-Q71 VanDerWaalsContact O-N 3.14Å; H69-Q71 VanDerWaalsContact C-N 3.31Å; H69-Q71 PolarHBondContact O-N 3.16Å; Q71-R74 WeakPolarHBondContact O-CB 3.49Å; Q71-R74 PolarHBondContact O-N 3.13Å; Q71-V75 PolarHBondContact O-N 2.82Å; Q71-V75 VanDerWaalsContact O-N 3.15Å
72T97.5Very high97.7Very high65 Ų6555.5 Ų55.540%0.39929%0.291SS..Hα-helixtrans-58.8-49.7174.3-55.80000111.2A68 H69 R74 V75 D76A68-T72 PolarHBondContact O-N 2.78Å; A68-T72 PolarHBondContact O-OG1 3.19Å; H69-T72 PolarHBondContact O-N 3.31Å; T72-R74 VanDerWaalsContact C-N 3.27Å; T72-R74 PolarHBondContact O-N 2.83Å; T72-V75 WeakPolarHBondContact O-CB 3.42Å; T72-V75 PolarHBondContact O-N 3.24Å; T72-D76 VanDerWaalsContact O-CG 3.23Å; T72-D76 PolarHBondContact O-N 3.13Å
73H97.4Very high97.6Very high0 Ų057.3 Ų57.30%030%0.298CS..Hα-helixtrans-62.8-32.6179.5-81.1-127.9000112.8F8 F21 H69 D76 L77F8-H73 AromaticContact CD2-NE2 3.89Å; F21-H73 HydrophobicContact CD2-CB 4.06Å; F21-H73 HydrophobicContact CE2-CB 4.16Å; F21-H73 AromaticContact CE2-CD2 3.9Å; F21-H73 AromaticContact CE2-CE1 3.99Å; F21-H73 AromaticContact CE2-CG 3.7Å; F21-H73 AromaticContact CE2-ND1 3.77Å; H69-H73 PolarHBondContact O-CD2 3.36Å; H69-H73 PolarHBondContact O-N 2.89Å; H73-D76 PolarHBondContact O-N 2.98Å; H73-L77 WeakPolarHBondContact O-CG 3.43Å; H73-L77 PolarHBondContact O-N 3.28Å
74R97.2Very high97.6Very high106 Ų10660 Ų6040%0.431%0.307SS..Hα-helixtrans-61.9-44.6172.1175.4-173168.2164.412.7111.6E18 P19 S70 Q71 T72 D76 G78E18-R74 IonicContact OE1-CZ 3.26Å; E18-R74 IonicContact OE1-NH1 2.69Å; E18-R74 PolarHBondContact OE1-NH1 2.9Å; E18-R74 IonicContact OE1-NH2 2.77Å; E18-R74 PolarHBondContact OE1-NH2 3.17Å; E18-R74 WeakPolarHBondContact OE2-CD 3.08Å; E18-R74 IonicContact OE2-CZ 3.26Å; E18-R74 IonicContact OE2-NE 3.4Å; E18-R74 PolarHBondContact OE2-NE 3.05Å; E18-R74 IonicContact OE2-NH1 3.52Å; E18-R74 PolarHBondContact OE2-NH1 3.23Å; E18-R74 IonicContact OE2-NH2 3.29Å; E18-R74 PolarHBondContact OE2-NH2 3Å; P19-R74 HydrophobicContact CG-CG 4.27Å; S70-R74 PolarHBondContact O-N 3.37Å; S70-R74 VanDerWaalsContact O-N 3.12Å; Q71-R74 WeakPolarHBondContact O-CB 3.49Å; Q71-R74 PolarHBondContact O-N 3.13Å; T72-R74 VanDerWaalsContact C-N 3.27Å; T72-R74 PolarHBondContact O-N 2.83Å; R74-D76 VanDerWaalsContact C-N 3.35Å; R74-G78 PolarHBondContact O-N 3.31Å
75V97.5Very high97.5Very high93 Ų9359.2 Ų59.256%0.56432%0.315SS*.Hα-helixtrans-66.7-39.7175.9175.90000110.8Q71 T72 G78 T79Q71-V75 PolarHBondContact O-N 2.82Å; Q71-V75 VanDerWaalsContact O-N 3.15Å; T72-V75 WeakPolarHBondContact O-CB 3.42Å; T72-V75 PolarHBondContact O-N 3.24Å; V75-G78 PolarHBondContact O-N 3.28Å; V75-T79 PolarHBondContact O-N 2.78Å; V75-T79 PolarHBondContact O-OG1 3.48Å
76D97.4Very high97.5Very high45 Ų4556.8 Ų56.824%0.24131%0.306CS..Hα-helixtrans-62-44177.8-64.9-25.6000111.3T72 H73 R74 G78 T79 L80T72-D76 VanDerWaalsContact O-CG 3.23Å; T72-D76 PolarHBondContact O-N 3.13Å; H73-D76 PolarHBondContact O-N 2.98Å; R74-D76 VanDerWaalsContact C-N 3.35Å; D76-G78 VanDerWaalsContact C-N 3.31Å; D76-G78 PolarHBondContact O-N 3.49Å; D76-T79 PolarHBondContact O-N 2.99Å; D76-T79 VanDerWaalsContact O-N 3.14Å; D76-L80 HydrophobicContact CB-CD1 4.45Å; D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.28Å; D76-L80 PolarHBondContact O-N 3.08Å
77L97.9Very high97.4Very high9 Ų960.5 Ų60.55%0.04733%0.332CS..Hα-helixtrans-55.9-43.8175-80.6163.4000112.2S10 P19 H73 R81 H92 V94 Y117S10-L77 WeakPolarHBondContact OG-CD1 3.3Å; P19-L77 HydrophobicContact CB-CD1 3.56Å; P19-L77 HydrophobicContact CG-CD1 3.68Å; H73-L77 WeakPolarHBondContact O-CG 3.43Å; H73-L77 PolarHBondContact O-N 3.28Å; L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.99Å; L77-R81 VanDerWaalsContact O-N 3.11Å; L77-H92 HydrophobicContact CD2-CB 3.98Å; L77-V94 HydrophobicContact CD2-CB 4.4Å; L77-V94 HydrophobicContact CD2-CG2 3.68Å; L77-V94 HydrophobicContact CG-CB 4.49Å; L77-V94 HydrophobicContact CG-CG2 3.85Å; L77-Y117 HydrophobicContact CD2-CE2 4.38Å
78G96.4Very high97.1Very high37 Ų3762.7 Ų62.738%0.38134%0.344SS..Hα-helixtrans-66.9-40.3176.300000112.9R74 V75 D76 G82R74-G78 PolarHBondContact O-N 3.31Å; V75-G78 PolarHBondContact O-N 3.28Å; D76-G78 VanDerWaalsContact C-N 3.31Å; D76-G78 PolarHBondContact O-N 3.49Å; G78-G82 PolarHBondContact O-N 2.82Å
79T97.3Very high96.9Very high52 Ų5264 Ų6432%0.31935%0.354SS..Hα-helixtrans-66.5-47.8179.2-58.60000111.5V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 2.78Å; V75-T79 PolarHBondContact O-OG1 3.48Å; D76-T79 PolarHBondContact O-N 2.99Å; D76-T79 VanDerWaalsContact O-N 3.14Å; T79-G82 WeakPolarHBondContact O-CA 3.33Å; T79-G82 PolarHBondContact O-N 3.14Å; T79-G82 VanDerWaalsContact O-N 3.12Å; T79-Y83 HydrophobicContact CG2-CD1 4.35Å; T79-Y83 HydrophobicContact CG2-CD2 4.44Å; T79-Y83 HydrophobicContact CG2-CE1 3.77Å; T79-Y83 HydrophobicContact CG2-CE2 3.88Å; T79-Y83 PolarHBondContact O-N 3.23Å
80L98Very high96.8Very high12 Ų1262.8 Ų62.86%0.06336%0.356CS..Hα-helixtrans-64.8-43.6-179.2-69.9166.6000111.2D76 G82 Y83 Y84 V94 Y117 Y122D76-L80 HydrophobicContact CB-CD1 4.45Å; D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.23Å; D76-L80 WeakPolarHBondContact O-CG 3.28Å; D76-L80 PolarHBondContact O-N 3.08Å; L80-G82 PolarHBondContact O-N 3.3Å; L80-Y83 HydrophobicContact CD2-CD2 4.35Å; L80-Y83 PolarHBondContact O-N 3.24Å; L80-Y84 HydrophobicContact CD2-CE2 4.32Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.36Å; L80-Y84 PolarHBondContact O-N 3.11Å; L80-V94 HydrophobicContact CD1-CG2 3.46Å; L80-V94 VanDerWaalsContact CD1-CG2 3.46Å; L80-Y117 HydrophobicContact CB-CD1 4.45Å; L80-Y117 HydrophobicContact CB-CD2 4.04Å; L80-Y117 HydrophobicContact CB-CE1 4.16Å; L80-Y117 HydrophobicContact CB-CE2 3.7Å; L80-Y117 HydrophobicContact CB-CG 4.39Å; L80-Y117 HydrophobicContact CD1-CD2 3.57Å; L80-Y117 HydrophobicContact CD1-CE2 3.95Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.45Å; L80-Y122 HydrophobicContact CD2-CD1 4.41Å; L80-Y122 HydrophobicContact CD2-CD2 4.09Å; L80-Y122 HydrophobicContact CD2-CE1 3.81Å; L80-Y122 HydrophobicContact CD2-CE2 3.43Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.43Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.4Å
81R97.1Very high96.8Very high74 Ų7465.6 Ų65.628%0.27938%0.375SS..Hα-helixtrans-52.7-42172-174.5-170.467.3179.110.8111.7L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.29Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.99Å; L77-R81 VanDerWaalsContact O-N 3.11Å; R81-N85 PolarHBondContact O-N 2.93Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.44Å; R81-Q86 PolarHBondContact O-N 3.38Å; R81-E88 IonicContact CZ-OE1 2.74Å; R81-E88 VanDerWaalsContact CZ-OE1 3.29Å; R81-E88 IonicContact NH1-OE1 2.77Å; R81-E88 PolarHBondContact NH1-OE1 3.21Å; R81-E88 IonicContact NH2-OE1 3.13Å; R81-E88 PolarHBondContact NH2-OE1 3.3Å
82G97Very high96.8Very high43 Ų4361.2 Ų61.244%0.44335%0.354SS..Hα-helixtrans-64.8-47.5174.700000113.2G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.82Å; T79-G82 WeakPolarHBondContact O-CA 3.33Å; T79-G82 PolarHBondContact O-N 3.14Å; T79-G82 VanDerWaalsContact O-N 3.12Å; L80-G82 PolarHBondContact O-N 3.3Å; G82-Y84 PolarHBondContact O-N 2.83Å; G82-N85 PolarHBondContact O-N 3.22Å; G82-N85 VanDerWaalsContact O-N 3.11Å
83Y97.6Very high96.9Very high61 Ų6159.8 Ų59.824%0.23935%0.346CS..Hα-helixtrans-59.5-35.7178.6-68.6-8000113.1T79 L80 A138 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.35Å; T79-Y83 HydrophobicContact CG2-CD2 4.44Å; T79-Y83 HydrophobicContact CG2-CE1 3.77Å; T79-Y83 HydrophobicContact CG2-CE2 3.88Å; T79-Y83 PolarHBondContact O-N 3.23Å; L80-Y83 HydrophobicContact CD2-CD2 4.35Å; L80-Y83 PolarHBondContact O-N 3.24Å; Y83-A138 HydrophobicContact CD2-CB 4.35Å; Y83-T141 HydrophobicContact CE1-CG2 4.11Å; Y83-T141 HydrophobicContact CE2-CG2 4.18Å; Y83-K145 PolarHBondContact OH-NZ 2.95Å
84Y97.8Very high96.9Very high67 Ų6759.9 Ų59.926%0.26335%0.346SS..THydrogen-bonded Turntrans-92.95.5179.3-68.7-72.4000113.9L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.32Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.36Å; L80-Y84 PolarHBondContact O-N 3.11Å; G82-Y84 PolarHBondContact O-N 2.83Å; Y84-Q86 PolarHBondContact O-N 3.21Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.47Å; Y84-Y117 HydrophobicContact CE2-CD1 3.47Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.47Å; Y84-Y117 AromaticContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CG 4.39Å; Y84-Y117 HydrophobicContact CG-CE1 4.32Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.14Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.45Å; Y84-Y122 WeakPolarHBondContact OH-CE2 2.93Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.86Å; Y84-D136 PolarHBondContact OH-OD2 3.16Å; Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.91Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å
85N96.9Very high97Very high154 Ų15458.6 Ų58.682%0.82435%0.345SS*.THydrogen-bonded Turntrans51.140.2-177.5-58.5-56.6000113.3R81 G82R81-N85 PolarHBondContact O-N 2.93Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 3.22Å; G82-N85 VanDerWaalsContact O-N 3.11Å
86Q97.4Very high97.1Very high59 Ų5955.2 Ų55.228%0.27632%0.322SS..  trans-88.3153.1-175.7-71.3169.1-32.500112.2R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.44Å; R81-Q86 PolarHBondContact O-N 3.38Å; Y84-Q86 PolarHBondContact O-N 3.21Å; Q86-H92 PolarHBondContact NE2-CE1 3.32Å; Q86-H92 PolarHBondContact OE1-CE1 3.41Å; Q86-H92 PolarHBondContact OE1-ND1 3.42Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 2.94Å; Q86-D118 PolarHBondContact NE2-OD2 3.34Å
87S95.8Very high97.1Very high81 Ų8154.1 Ų54.157%0.56632%0.316SS*.  trans-69148.7178.9175.30000112.6A89 G90S87-A89 PolarHBondContact O-N 3.48Å; S87-A89 PolarHBondContact OG-N 2.81Å; S87-G90 PolarHBondContact O-N 3.27Å
88E92.8Very high97.2Very high129 Ų12954.6 Ų54.660%0.60332%0.317SS*.THydrogen-bonded Turntrans-69.1-18.2173.9-51.9-153.9127.100113.8P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.27Å; P14-E88 WeakPolarHBondContact CG-O 3.44Å; R81-E88 IonicContact CZ-OE1 2.74Å; R81-E88 VanDerWaalsContact CZ-OE1 3.29Å; R81-E88 IonicContact NH1-OE1 2.77Å; R81-E88 PolarHBondContact NH1-OE1 3.21Å; R81-E88 IonicContact NH2-OE1 3.13Å; R81-E88 PolarHBondContact NH2-OE1 3.3Å; E88-G90 VanDerWaalsContact C-N 3.28Å
89A93.8Very high97.3Very high82 Ų8252.8 Ų52.868%0.67830%0.299SS*.THydrogen-bonded Turntrans-77.7-15.1178.600000113S87S87-A89 PolarHBondContact O-N 3.48Å; S87-A89 PolarHBondContact OG-N 2.81Å
90G94.5Very high97.4Very high26 Ų2650.3 Ų50.327%0.26828%0.284SS..SBendtrans-76.4136-178.600000113.1P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.26Å; P14-G90 WeakPolarHBondContact CG-O 3.45Å; S87-G90 PolarHBondContact O-N 3.27Å; E88-G90 VanDerWaalsContact C-N 3.28Å; G90-H92 PolarHBondContact O-CD2 2.83Å; G90-H92 VanDerWaalsContact O-CD2 3.27Å
91S97.8Very high97.4Very high74 Ų7451 Ų5152%0.51729%0.287SS..  trans-81130.8164.3-178.90000108.7S12S12-S91 PolarHBondContact O-OG 2.91Å
92H98.4Very high97.4Very high16 Ų1647.5 Ų47.57%0.07427%0.274CS..  trans-130.9154.4-176.7-65.4-71.4000110.7V11 S12 L77 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.49Å; S12-H92 PolarHBondContact N-O 2.78Å; S12-H92 PolarHBondContact OG-N 2.81Å; S12-H92 PolarHBondContact OG-O 3.38Å; L77-H92 HydrophobicContact CD2-CB 3.98Å; Q86-H92 PolarHBondContact NE2-CE1 3.32Å; Q86-H92 PolarHBondContact OE1-CE1 3.41Å; Q86-H92 PolarHBondContact OE1-ND1 3.42Å; G90-H92 PolarHBondContact O-CD2 2.83Å; G90-H92 VanDerWaalsContact O-CD2 3.27Å; H92-Y117 HydrophobicContact CB-CE2 3.91Å; H92-Y117 WeakPolarHBondContact CB-OH 3.36Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.17Å; H92-D118 WeakPolarHBondContact CA-OD1 3.35Å; H92-D118 IonicContact CE1-OD2 2.76Å; H92-D118 IonicContact CG-OD1 3.71Å; H92-D118 IonicContact CG-OD2 3.62Å; H92-D118 IonicContact ND1-OD1 3.51Å; H92-D118 IonicContact ND1-OD2 2.74Å; H92-D118 PolarHBondContact ND1-OD2 3.04Å
93T98.7Very high97.4Very high35 Ų3545.7 Ų45.722%0.21526%0.256CS..EExtended strand (participates in β ladder)trans-125.5130.5-176.5-53.90000111.2T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.01Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.32Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; V11-T93 HydrophobicContact CG2-CG2 4.2Å; T93-Q95 HydrophobicContact CG2-CG 3.91Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.27Å; T93-Y117 VanDerWaalsContact O-CD2 3.26Å; T93-Y117 WeakPolarHBondContact O-CD2 3.49Å; T93-D118 PolarHBondContact N-OD1 3.38Å; T93-D118 PolarHBondContact O-N 3.48Å
94V98.7Very high97.1Very high2 Ų247.9 Ų47.91%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-111.7124.1166.2173.50000108.6S10 L77 L80 Y115 Y117S10-V94 PolarHBondContact N-O 2.91Å; S10-V94 PolarHBondContact O-N 2.88Å; L77-V94 HydrophobicContact CD2-CB 4.4Å; L77-V94 HydrophobicContact CD2-CG2 3.68Å; L77-V94 HydrophobicContact CG-CB 4.49Å; L77-V94 HydrophobicContact CG-CG2 3.85Å; L80-V94 HydrophobicContact CD1-CG2 3.46Å; L80-V94 VanDerWaalsContact CD1-CG2 3.46Å; V94-Y115 HydrophobicContact CG1-CD1 4.03Å; V94-Y115 HydrophobicContact CG1-CE1 4.5Å; V94-Y117 HydrophobicContact CG2-CD2 3.79Å; V94-Y117 HydrophobicContact CG2-CE2 4.17Å
95Q98.8Very high96.8Very high79 Ų7948.7 Ų48.737%0.36929%0.289SS..EExtended strand (participates in β ladder)trans-114.4145.1173.5-62.8172.9-84.600109.8F8 T9 T93 Y115 A116F8-Q95 CarbonylContact O-C 3.55Å; F8-Q95 VanDerWaalsContact O-CA 3.28Å; F8-Q95 WeakPolarHBondContact O-CA 3.08Å; T9-Q95 HydrophobicContact CG2-CG 4.23Å; T93-Q95 HydrophobicContact CG2-CG 3.91Å; Q95-Y115 CarbonylContact O-C 3.52Å; Q95-Y115 WeakPolarHBondContact O-CA 3.36Å; Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 2.99Å; Q95-A116 PolarHBondContact O-N 2.68Å
96R98.6Very high96.5Very high22 Ų2245.6 Ų45.68%0.08327%0.266CS..EExtended strand (participates in β ladder)trans-135134.9173.5-176.9-168.2-177.9-168-7.7109.5F7 F8 H69 Y98 H113 Q114 Y115F7-R96 WeakPolarHBondContact CA-O 3.31Å; F8-R96 HydrophobicContact CB-CB 4.24Å; F8-R96 PolarHBondContact N-O 3.48Å; F8-R96 PolarHBondContact O-N 2.89Å; H69-R96 PolarHBondContact CE1-NH1 3.06Å; H69-R96 PolarHBondContact ND1-NH1 3.22Å; R96-Y98 HydrophobicContact CG-CD1 4.26Å; R96-H113 VanDerWaalsContact CZ-NE2 3.34Å; R96-H113 PolarHBondContact NE-NE2 2.87Å; R96-H113 VanDerWaalsContact NE-NE2 3.17Å; R96-H113 PolarHBondContact NH2-CD2 2.9Å; R96-H113 PolarHBondContact NH2-NE2 3.03Å; R96-Q114 WeakPolarHBondContact CA-O 3.24Å; R96-Y115 HydrophobicContact CB-CD1 3.88Å; R96-Y115 HydrophobicContact CB-CE1 3.75Å; R96-Y115 HydrophobicContact CB-CG 4.36Å; R96-Y115 VanDerWaalsContact CD-OH 3.22Å; R96-Y115 WeakPolarHBondContact CD-OH 3.28Å; R96-Y115 HydrophobicContact CG-CD1 4.14Å; R96-Y115 HydrophobicContact CG-CD2 4.14Å; R96-Y115 HydrophobicContact CG-CE1 3.78Å; R96-Y115 HydrophobicContact CG-CE2 3.74Å; R96-Y115 HydrophobicContact CG-CG 4.33Å; R96-Y115 PolarHBondContact NE-OH 2.76Å; R96-Y115 VanDerWaalsContact NE-OH 3.14Å
97M98.8Very high96.5Very high23 Ų2350.9 Ų50.911%0.11328%0.283CS..EExtended strand (participates in β ladder)trans-124.2131.2168-173.4-79.8-6900109Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.31Å; F7-M97 HydrophobicContact CD1-CB 4.08Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.26Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.12Å; M97-Y112 HydrophobicContact CE-CD1 4.14Å; M97-Y112 HydrophobicContact CE-CG 4.1Å; M97-H113 WeakPolarHBondContact O-CA 3.43Å; M97-Q114 HydrophobicContact CB-CG 4.16Å; M97-Q114 VanDerWaalsContact CE-CD 3.48Å; M97-Q114 HydrophobicContact CE-CG 3.98Å; M97-Q114 PolarHBondContact N-O 2.91Å; M97-Q114 PolarHBondContact O-N 2.79Å
98Y98.8Very high96.6Very high18 Ų1850 Ų507%0.07127%0.269CS..EExtended strand (participates in β ladder)trans-147.1159171.270.2-85.1000111.3R5 Y6 F8 R96 Y112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.44Å; Y6-Y98 HydrophobicContact CD2-CD2 4.48Å; Y6-Y98 AromaticContact CD2-CE2 3.68Å; Y6-Y98 HydrophobicContact CD2-CE2 3.68Å; Y6-Y98 AromaticContact CD2-CZ 3.77Å; Y6-Y98 HydrophobicContact CE2-CE2 4.48Å; Y6-Y98 HydrophobicContact CG-CE1 4.32Å; Y6-Y98 HydrophobicContact CG-CE2 4.17Å; Y6-Y98 AromaticContact CG-CZ 3.78Å; Y6-Y98 PolarHBondContact N-O 3Å; Y6-Y98 PolarHBondContact O-N 3.23Å; Y6-Y98 VanDerWaalsContact O-N 3.17Å; F8-Y98 HydrophobicContact CD2-CE1 4.26Å; F8-Y98 HydrophobicContact CE1-CE1 4.14Å; F8-Y98 AromaticContact CE2-CE1 3.6Å; F8-Y98 HydrophobicContact CE2-CE1 3.6Å; F8-Y98 AromaticContact CZ-CE1 3.53Å; F8-Y98 HydrophobicContact CZ-CE1 3.53Å; F8-Y98 AromaticContact CZ-CZ 3.88Å; F8-Y98 VanDerWaalsContact CZ-OH 3.3Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.32Å; R96-Y98 HydrophobicContact CG-CD1 4.26Å; Y98-Y112 WeakPolarHBondContact CA-O 3.21Å; Y98-Y112 VanDerWaalsContact CB-O 3.22Å; Y98-Y112 WeakPolarHBondContact CB-O 3.47Å; Y98-Y158 AromaticContact CD2-CE1 3.83Å; Y98-Y158 HydrophobicContact CD2-CE1 3.83Å; Y98-Y158 AromaticContact CE2-CE1 3.76Å; Y98-Y158 HydrophobicContact CE2-CE1 3.76Å; Y98-Y158 AromaticContact CE2-CZ 3.96Å
99G98.7Very high96.8Very high0 Ų048.8 Ų48.80%027%0.266CS..EExtended strand (participates in β ladder)trans158.7-173.2-178.700000113.6M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.36Å; G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.41Å; G99-Y112 PolarHBondContact N-O 2.68Å; G99-Y112 VanDerWaalsContact N-O 3.07Å; G99-Y112 PolarHBondContact O-N 2.9Å; G99-L159 WeakPolarHBondContact O-CD2 3.44Å
100C98.8Very high97Very high0 Ų049.3 Ų49.30%025%0.251CS..EExtended strand (participates in β ladder)trans-135.4149.7-174.753.20000111.1S3 M4 F108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 2.95Å; M4-C100 PolarHBondContact N-O 2.95Å; M4-C100 PolarHBondContact O-N 3.22Å; C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.22Å; C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.45Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.46Å; C100-C163 PolarHBondContact N-SG 3.35Å; C100-C163 WeakPolarHBondContact SG-CB 3.08Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.84Å; C100-V164 HydrophobicContact CB-CG2 4.37Å
101D98.6Very high97.2Very high26 Ų2648.3 Ų48.314%0.13924%0.24CC..EExtended strand (participates in β ladder)trans-111.9140.6171.1-59.6-13.5000109.2H2 S3 R5 L109 R110 Y112H2-D101 WeakPolarHBondContact O-CA 3.27Å; S3-D101 WeakPolarHBondContact CB-OD1 3.48Å; R5-D101 IonicContact CZ-OD1 2.81Å; R5-D101 IonicContact NE-OD1 3.54Å; R5-D101 PolarHBondContact NE-OD1 3.21Å; R5-D101 IonicContact NH2-OD1 3.95Å; R5-D101 PolarHBondContact NH2-OD1 3.49Å; R5-D101 IonicContact NH2-OD2 3.87Å; R5-D101 PolarHBondContact NH2-OD2 3.25Å; D101-L109 HydrophobicContact CB-CB 4.44Å; D101-L109 PolarHBondContact O-N 2.87Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 2.91Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.26Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 3.46Å
102V98.3Very high97.2Very high0 Ų046.6 Ų46.60%022%0.222CC..EExtended strand (participates in β ladder)trans-124.1146176.2-61.10000111.9S1 H2 W106 R107 V164 L167S1-V102 VanDerWaalsContact CA-O 3.29Å; S1-V102 WeakPolarHBondContact CA-O 3.42Å; S1-V102 VanDerWaalsContact CB-O 3.23Å; S1-V102 WeakPolarHBondContact CB-O 3.17Å; H2-V102 HydrophobicContact CB-CG2 4.04Å; H2-V102 PolarHBondContact N-O 2.87Å; H2-V102 PolarHBondContact O-N 2.84Å; V102-W106 HydrophobicContact CG2-CE3 4.15Å; V102-W106 HydrophobicContact CG2-CZ3 4.46Å; V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.4Å; V102-V164 HydrophobicContact CG1-CB 4.43Å; V102-V164 HydrophobicContact CG1-CG1 3.93Å; V102-V164 HydrophobicContact CG1-CG2 4.01Å; V102-L167 HydrophobicContact CB-CD2 4.42Å; V102-L167 HydrophobicContact CG1-CD2 3.99Å; V102-L167 HydrophobicContact CG2-CD2 3.66Å; V102-L167 HydrophobicContact CG2-CG 4.33Å
103G96.1Very high97.2Very high6 Ų646 Ų466%0.06222%0.22CC..  trans-69.8173.5176.200000112.5D105 W106 R107G103-D105 PolarHBondContact O-N 2.9Å; G103-W106 WeakPolarHBondContact O-CA 3.26Å; G103-W106 PolarHBondContact O-N 2.87Å; G103-R107 PolarHBondContact N-O 2.98Å
104S91.4Very high97.2Very high107 Ų10747.8 Ų47.875%0.74823%0.226SC*.THydrogen-bonded Turntrans-62.8-21.8169.448.10000112.7
105D92.3Very high97.2Very high84 Ų8448.9 Ų48.945%0.44923%0.23SC..THydrogen-bonded Turntrans-86.910.2172.171.2-17.8000113.2G103 R107G103-D105 PolarHBondContact O-N 2.9Å; D105-R107 PolarHBondContact O-N 2.85Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.32Å; D105-R107 PolarHBondContact OD1-N 2.86Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 WeakPolarHBondContact OD2-CD 3.2Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.48Å; D105-R107 IonicContact OD2-NE 3.3Å
106W90.5Very high97.2Very high89 Ų8945.8 Ų45.834%0.33722%0.218SC..SBendtrans65.66.2-178.6-52108000115.4H2 V102 G103 R168 L171H2-W106 AromaticContact CD2-CH2 3.72Å; H2-W106 AromaticContact CD2-CZ3 3.52Å; H2-W106 AromaticContact NE2-CH2 3.95Å; V102-W106 HydrophobicContact CG2-CE3 4.15Å; V102-W106 HydrophobicContact CG2-CZ3 4.46Å; G103-W106 WeakPolarHBondContact O-CA 3.26Å; G103-W106 PolarHBondContact O-N 2.87Å; W106-R168 HydrophobicContact CB-CG 4.47Å; W106-R168 VanDerWaalsContact O-CZ 3.3Å; W106-R168 PolarHBondContact O-NE 3.46Å; W106-R168 VanDerWaalsContact O-NE 3.08Å; W106-R168 PolarHBondContact O-NH2 3Å; W106-L171 HydrophobicContact CE3-CD1 4.14Å; W106-L171 HydrophobicContact CH2-CB 4.37Å; W106-L171 HydrophobicContact CH2-CD1 3.86Å; W106-L171 HydrophobicContact CZ3-CB 4.4Å; W106-L171 HydrophobicContact CZ3-CD1 3.24Å; W106-L171 HydrophobicContact CZ3-CG 4.41Å
107R95.7Very high97.2Very high170 Ų17045.3 Ų45.364%0.64222%0.216SC*.  trans-81.4148.8-179.1-64-172.1-176.2172.6-2.3111.2V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.59Å; V102-R107 WeakPolarHBondContact CA-O 3.4Å; G103-R107 PolarHBondContact N-O 2.98Å; D105-R107 PolarHBondContact O-N 2.85Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.32Å; D105-R107 PolarHBondContact OD1-N 2.86Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 WeakPolarHBondContact OD2-CD 3.2Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.48Å; D105-R107 IonicContact OD2-NE 3.3Å; R107-L109 PolarHBondContact O-N 3.17Å
108F98.1Very high97.2Very high61 Ų6147.1 Ų47.127%0.26823%0.227SC..EExtended strand (participates in β ladder)trans-55.3126.7173.5177.9-96.1000110.3C100 R110 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.22Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 WeakPolarHBondContact CE2-O 3.47Å; F108-L129 HydrophobicContact CE1-CD1 4.09Å; F108-L129 HydrophobicContact CZ-CD1 3.7Å; F108-L159 HydrophobicContact CE2-CB 4.4Å; F108-E160 HydrophobicContact CD1-CG 4.3Å; F108-E160 HydrophobicContact CE1-CG 4.22Å; F108-E160 HydrophobicContact CE2-CG 4.48Å; F108-E160 HydrophobicContact CG-CG 4.47Å; F108-E160 HydrophobicContact CZ-CG 4.32Å; F108-V164 HydrophobicContact CB-CG2 4.12Å; F108-V164 HydrophobicContact CD2-CG2 3.78Å; F108-V164 HydrophobicContact CG-CG2 4.45Å
109L97.6Very high97.2Very high105 Ų10549.1 Ų49.155%0.5525%0.252SS..EExtended strand (participates in β ladder)trans-104.7-49173.4-62-178000111.3D101 R107D101-L109 HydrophobicContact CB-CB 4.44Å; D101-L109 PolarHBondContact O-N 2.87Å; R107-L109 PolarHBondContact O-N 3.17Å
110R97.6Very high97.2Very high93 Ų9356.7 Ų56.735%0.35129%0.285SS..EExtended strand (participates in β ladder)trans-157.1148.7-170.6-174.2165.8169.9151.710.2111.3C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.55Å; C100-R110 WeakPolarHBondContact CA-O 3.45Å; D101-R110 HydrophobicContact CB-CB 4.47Å; D101-R110 PolarHBondContact N-O 2.91Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 WeakPolarHBondContact CE2-O 3.47Å; R110-Y112 HydrophobicContact CB-CE2 4.24Å; R110-Y112 VanDerWaalsContact CD-OH 3.22Å; R110-Y112 WeakPolarHBondContact CD-OH 3.37Å; R110-Y112 HydrophobicContact CG-CE1 4.21Å; R110-Y112 HydrophobicContact CG-CE2 3.83Å; R110-Y112 PolarHBondContact NE-OH 2.72Å; R110-E127 VanDerWaalsContact CZ-CD 3.42Å; R110-E127 IonicContact CZ-OE1 3.64Å; R110-E127 VanDerWaalsContact NH1-CD 3.28Å; R110-E127 IonicContact NH1-OE1 3.88Å; R110-E127 PolarHBondContact NH1-OE1 3.37Å; R110-E127 IonicContact NH1-OE2 3.67Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 3Å; R110-E127 PolarHBondContact NH2-OE1 2.82Å
111G98.4Very high97.2Very high4 Ų462.7 Ų62.74%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-124.4151.917600000110.4G99G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.41Å
112Y98.6Very high97.2Very high38 Ų3862 Ų6215%0.14931%0.313CS..EExtended strand (participates in β ladder)trans-131.8141.6-178.3-54.2-96.8000109.6R5 M97 Y98 G99 D101 R110R5-Y112 VanDerWaalsContact NH2-CZ 3.34Å; R5-Y112 PolarHBondContact NH2-OH 2.91Å; M97-Y112 HydrophobicContact CE-CD1 4.14Å; M97-Y112 HydrophobicContact CE-CG 4.1Å; Y98-Y112 WeakPolarHBondContact CA-O 3.21Å; Y98-Y112 VanDerWaalsContact CB-O 3.22Å; Y98-Y112 WeakPolarHBondContact CB-O 3.47Å; G99-Y112 PolarHBondContact N-O 2.68Å; G99-Y112 VanDerWaalsContact N-O 3.07Å; G99-Y112 PolarHBondContact O-N 2.9Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.26Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 3.46Å; R110-Y112 HydrophobicContact CB-CE2 4.24Å; R110-Y112 VanDerWaalsContact CD-OH 3.22Å; R110-Y112 WeakPolarHBondContact CD-OH 3.37Å; R110-Y112 HydrophobicContact CG-CE1 4.21Å; R110-Y112 HydrophobicContact CG-CE2 3.83Å; R110-Y112 PolarHBondContact NE-OH 2.72Å
113H98.7Very high97.2Very high5 Ų562.1 Ų62.12%0.02331%0.314CS..EExtended strand (participates in β ladder)trans-158.8101.3168.4-174.7-90.2000109.3R96 M97 Y115 L125 W132 L155R96-H113 VanDerWaalsContact CZ-NE2 3.34Å; R96-H113 PolarHBondContact NE-NE2 2.87Å; R96-H113 VanDerWaalsContact NE-NE2 3.17Å; R96-H113 PolarHBondContact NH2-CD2 2.9Å; R96-H113 PolarHBondContact NH2-NE2 3.03Å; M97-H113 WeakPolarHBondContact O-CA 3.43Å; H113-Y115 AromaticContact CE1-CE2 3.43Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.43Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.43Å; H113-Y115 AromaticContact ND1-CE2 4Å; H113-Y115 AromaticContact NE2-CE2 3.96Å; H113-L125 HydrophobicContact CB-CB 3.97Å; H113-L125 HydrophobicContact CB-CD2 4.13Å; H113-L125 WeakPolarHBondContact O-CB 3.46Å; H113-L125 PolarHBondContact O-N 3Å; H113-W132 AromaticContact ND1-CH2 3.72Å; H113-W132 AromaticContact ND1-CZ3 3.81Å; H113-L155 HydrophobicContact CB-CD1 4.28Å; H113-L155 VanDerWaalsContact CE1-CD1 3.48Å; H113-L155 WeakPolarHBondContact CE1-CD1 3.16Å; H113-L155 WeakPolarHBondContact ND1-CD1 3.48Å
114Q98.7Very high97.3Very high72 Ų7263.2 Ų63.234%0.33632%0.322SS..EExtended strand (participates in β ladder)trans-140.1149-172.764.2-164.755.200112R96 M97 I123 A124R96-Q114 WeakPolarHBondContact CA-O 3.24Å; M97-Q114 HydrophobicContact CB-CG 4.16Å; M97-Q114 VanDerWaalsContact CE-CD 3.48Å; M97-Q114 HydrophobicContact CE-CG 3.98Å; M97-Q114 PolarHBondContact N-O 2.91Å; M97-Q114 PolarHBondContact O-N 2.79Å; Q114-I123 CarbonylContact C-O 3.57Å; Q114-I123 WeakPolarHBondContact CA-O 3.46Å; Q114-A124 HydrophobicContact CB-CB 3.79Å
115Y98.8Very high97.7Very high24 Ų2458.8 Ų58.89%0.09429%0.29CS..EExtended strand (participates in β ladder)trans-121.6148176.9-72.2-106.9000110.8V94 Q95 R96 H113 Y122 I123 W146V94-Y115 HydrophobicContact CG1-CD1 4.03Å; V94-Y115 HydrophobicContact CG1-CE1 4.5Å; Q95-Y115 CarbonylContact O-C 3.52Å; Q95-Y115 WeakPolarHBondContact O-CA 3.36Å; R96-Y115 HydrophobicContact CB-CD1 3.88Å; R96-Y115 HydrophobicContact CB-CE1 3.75Å; R96-Y115 HydrophobicContact CB-CG 4.36Å; R96-Y115 VanDerWaalsContact CD-OH 3.22Å; R96-Y115 WeakPolarHBondContact CD-OH 3.28Å; R96-Y115 HydrophobicContact CG-CD1 4.14Å; R96-Y115 HydrophobicContact CG-CD2 4.14Å; R96-Y115 HydrophobicContact CG-CE1 3.78Å; R96-Y115 HydrophobicContact CG-CE2 3.74Å; R96-Y115 HydrophobicContact CG-CG 4.33Å; R96-Y115 PolarHBondContact NE-OH 2.76Å; R96-Y115 VanDerWaalsContact NE-OH 3.14Å; H113-Y115 AromaticContact CE1-CE2 3.43Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.43Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.43Å; H113-Y115 AromaticContact ND1-CE2 4Å; H113-Y115 AromaticContact NE2-CE2 3.96Å; Y115-Y122 WeakPolarHBondContact O-CB 3.38Å; Y115-Y122 PolarHBondContact O-N 3.48Å; Y115-I123 HydrophobicContact CD2-CG2 4.28Å; Y115-I123 PolarHBondContact N-O 3.2Å; Y115-I123 PolarHBondContact O-N 2.7Å; Y115-W146 AromaticContact CD2-CH2 3.85Å; Y115-W146 HydrophobicContact CD2-CH2 3.85Å; Y115-W146 AromaticContact CE2-CH2 3.5Å; Y115-W146 HydrophobicContact CE2-CH2 3.5Å; Y115-W146 HydrophobicContact CE2-CZ2 4.35Å; Y115-W146 HydrophobicContact CE2-CZ3 4.37Å
116A98.8Very high98Very high15 Ų1559.2 Ų59.212%0.12429%0.288CS..EExtended strand (participates in β ladder)trans-125147.716700000110.2Q95 K120Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 2.99Å; Q95-A116 PolarHBondContact O-N 2.68Å; A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.45Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å
117Y98.8Very high98.3Very high11 Ų1161.3 Ų61.34%0.04330%0.301CS..EExtended strand (participates in β ladder)trans-124.3127174.9-174.7-118.5000109.6L77 L80 Y84 Q86 H92 T93 V94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.38Å; L80-Y117 HydrophobicContact CB-CD1 4.45Å; L80-Y117 HydrophobicContact CB-CD2 4.04Å; L80-Y117 HydrophobicContact CB-CE1 4.16Å; L80-Y117 HydrophobicContact CB-CE2 3.7Å; L80-Y117 HydrophobicContact CB-CG 4.39Å; L80-Y117 HydrophobicContact CD1-CD2 3.57Å; L80-Y117 HydrophobicContact CD1-CE2 3.95Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.45Å; Y84-Y117 AromaticContact CD2-CD1 3.65Å; Y84-Y117 HydrophobicContact CD2-CD1 3.65Å; Y84-Y117 AromaticContact CD2-CE1 3.46Å; Y84-Y117 HydrophobicContact CD2-CE1 3.46Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.46Å; Y84-Y117 AromaticContact CE2-CD1 3.47Å; Y84-Y117 HydrophobicContact CE2-CD1 3.47Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.47Å; Y84-Y117 AromaticContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CE1 3.81Å; Y84-Y117 HydrophobicContact CE2-CG 4.39Å; Y84-Y117 HydrophobicContact CG-CE1 4.32Å; Q86-Y117 VanDerWaalsContact OE1-CE1 3.31Å; Q86-Y117 PolarHBondContact OE1-OH 2.94Å; H92-Y117 HydrophobicContact CB-CE2 3.91Å; H92-Y117 WeakPolarHBondContact CB-OH 3.36Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.17Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.27Å; T93-Y117 VanDerWaalsContact O-CD2 3.26Å; T93-Y117 WeakPolarHBondContact O-CD2 3.49Å; V94-Y117 HydrophobicContact CG2-CD2 3.79Å; V94-Y117 HydrophobicContact CG2-CE2 4.17Å; Y117-G119 PolarHBondContact O-N 3.14Å; Y117-G119 VanDerWaalsContact O-N 3.17Å; Y117-K120 PolarHBondContact N-O 3.01Å; Y117-K120 PolarHBondContact O-N 3.36Å
118D98.4Very high98.4Very high62 Ų6257 Ų5733%0.33229%0.291SS..THydrogen-bonded Turntrans49.140.2-175.2-66.3-21.9000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.34Å; H92-D118 WeakPolarHBondContact CA-OD1 3.35Å; H92-D118 IonicContact CE1-OD2 2.76Å; H92-D118 IonicContact CG-OD1 3.71Å; H92-D118 IonicContact CG-OD2 3.62Å; H92-D118 IonicContact ND1-OD1 3.51Å; H92-D118 IonicContact ND1-OD2 2.74Å; H92-D118 PolarHBondContact ND1-OD2 3.04Å; T93-D118 PolarHBondContact N-OD1 3.38Å; T93-D118 PolarHBondContact O-N 3.48Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.78Å
119G97.8Very high98.4Very high59 Ų5954.3 Ų54.361%0.60828%0.279SS*.THydrogen-bonded Turntrans78.45.1177.700000115.4Y117Y117-G119 PolarHBondContact O-N 3.14Å; Y117-G119 VanDerWaalsContact O-N 3.17Å
120K98.6Very high98.4Very high159 Ų15957.3 Ų57.369%0.69128%0.283SS*.EExtended strand (participates in β ladder)trans-111.3144176.5-62.8-179.5-177.91780110.9A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.45Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å; Y117-K120 PolarHBondContact N-O 3.01Å; Y117-K120 PolarHBondContact O-N 3.36Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.78Å; K120-Y122 PolarHBondContact O-N 2.94Å
121D98.7Very high98.4Very high126 Ų12654.2 Ų54.267%0.67428%0.276SS*.EExtended strand (participates in β ladder)trans-52.2135.4173.2-72.5-21000110.7A135D121-A135 HydrophobicContact CB-CB 4.46Å; D121-A135 WeakPolarHBondContact O-CB 3.39Å
122Y98.8Very high98.4Very high11 Ų1154.2 Ų54.24%0.04328%0.275CS..EExtended strand (participates in β ladder)trans-113.4-65179.4179.7-109000110.5L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.41Å; L80-Y122 HydrophobicContact CD2-CD2 4.09Å; L80-Y122 HydrophobicContact CD2-CE1 3.81Å; L80-Y122 HydrophobicContact CD2-CE2 3.43Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.43Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.4Å; Y84-Y122 HydrophobicContact CE2-CD2 4.41Å; Y84-Y122 HydrophobicContact CE2-CE2 4.14Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.45Å; Y84-Y122 WeakPolarHBondContact OH-CE2 2.93Å; Y115-Y122 WeakPolarHBondContact O-CB 3.38Å; Y115-Y122 PolarHBondContact O-N 3.48Å; K120-Y122 PolarHBondContact O-N 2.94Å; Y122-A135 WeakPolarHBondContact O-CB 3.44Å; Y122-A135 PolarHBondContact O-N 2.71Å; Y122-A138 HydrophobicContact CE2-CB 4.34Å; Y122-A138 PolarHBondContact OH-O 3.4Å; Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE1-CB 4.4Å; Y122-A139 HydrophobicContact CE2-CB 3.66Å; Y122-A139 HydrophobicContact CG-CB 4.25Å; Y122-A139 WeakPolarHBondContact O-CB 3.26Å; Y122-T142 HydrophobicContact CE1-CG2 4.17Å; Y122-T142 WeakPolarHBondContact OH-CB 3.41Å; Y122-T142 PolarHBondContact OH-OG1 3.19Å
123I98.8Very high98.4Very high4 Ų456 Ų562%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-147.8139.9179-162175.1000110.6Q114 Y115 W132 T133 T142 K143 W146Q114-I123 CarbonylContact C-O 3.57Å; Q114-I123 WeakPolarHBondContact CA-O 3.46Å; Y115-I123 HydrophobicContact CD2-CG2 4.28Å; Y115-I123 PolarHBondContact N-O 3.2Å; Y115-I123 PolarHBondContact O-N 2.7Å; I123-W132 HydrophobicContact CD1-CB 4.28Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.16Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.35Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.42Å; I123-T133 WeakPolarHBondContact CG1-O 3.3Å; I123-T142 HydrophobicContact CD1-CG2 4.06Å; I123-K143 HydrophobicContact CD1-CB 3.85Å; I123-W146 HydrophobicContact CD1-CE3 4.05Å; I123-W146 HydrophobicContact CD1-CZ3 4.26Å; I123-W146 HydrophobicContact CG2-CH2 4Å; I123-W146 HydrophobicContact CG2-CZ3 3.74Å
124A98.8Very high98.4Very high29 Ų2956.5 Ų56.524%0.2430%0.295CS..EExtended strand (participates in β ladder)trans-135.6136.9179.900000111.8Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.79Å; A124-W132 WeakPolarHBondContact O-CA 3.17Å; A124-T133 PolarHBondContact N-O 3.37Å; A124-T133 PolarHBondContact O-N 3.14Å
125L98.8Very high98.4Very high14 Ų1456 Ų567%0.07330%0.303CS..EExtended strand (participates in β ladder)trans-69.2128.8168.2-174.265.8000108.4H113 L129 W132 A152 L155 L159H113-L125 HydrophobicContact CB-CB 3.97Å; H113-L125 HydrophobicContact CB-CD2 4.13Å; H113-L125 WeakPolarHBondContact O-CB 3.46Å; H113-L125 PolarHBondContact O-N 3Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.32Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.05Å; L125-W132 HydrophobicContact CD1-CZ2 3.95Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; L125-A152 HydrophobicContact CD1-CB 3.96Å; L125-L155 HydrophobicContact CD2-CB 4.28Å; L125-L155 HydrophobicContact CD2-CD1 4.49Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å
126K98.6Very high98.4Very high93 Ų9357.6 Ų57.640%0.40431%0.313SS..  trans-72.3165.5177.6-62.8-163.2-158.8166.80111.1D128 L129 S131 W132 T133K126-D128 PolarHBondContact O-N 3.41Å; K126-D128 VanDerWaalsContact O-N 3.11Å; K126-L129 PolarHBondContact O-N 2.89Å; K126-S131 WeakPolarHBondContact CB-O 3.38Å; K126-S131 VanDerWaalsContact CD-OG 3.26Å; K126-S131 WeakPolarHBondContact CD-OG 3.35Å; K126-S131 WeakPolarHBondContact CG-O 3.34Å; K126-S131 PolarHBondContact N-O 3.49Å; K126-W132 WeakPolarHBondContact CE-O 3.45Å; K126-T133 VanDerWaalsContact CE-OG1 3.26Å; K126-T133 WeakPolarHBondContact CE-OG1 3.38Å; K126-T133 WeakPolarHBondContact CG-OG1 3.22Å
127E97.6Very high98.3Very high133 Ų13364.2 Ų64.262%0.62134%0.343SS*.THydrogen-bonded Turntrans-58.6-23.8179.1-65.8179.4-165.600113.5R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.42Å; R110-E127 IonicContact CZ-OE1 3.64Å; R110-E127 VanDerWaalsContact NH1-CD 3.28Å; R110-E127 IonicContact NH1-OE1 3.88Å; R110-E127 PolarHBondContact NH1-OE1 3.37Å; R110-E127 IonicContact NH1-OE2 3.67Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 3Å; R110-E127 PolarHBondContact NH2-OE1 2.82Å; E127-L129 PolarHBondContact O-N 3.4Å
128D97.7Very high98.2Very high79 Ų7964.2 Ų64.242%0.42235%0.345SS..THydrogen-bonded Turntrans-69.3-9.6174.467.112.5000114.1K126 R130 S131K126-D128 PolarHBondContact O-N 3.41Å; K126-D128 VanDerWaalsContact O-N 3.11Å; D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 3.31Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 2.91Å; D128-S131 PolarHBondContact OD1-N 3.44Å; D128-S131 PolarHBondContact OD1-OG 3.25Å; D128-S131 WeakPolarHBondContact OD2-CB 3.39Å; D128-S131 PolarHBondContact OD2-OG 2.92Å
129L98.2Very high98.2Very high4 Ų461.2 Ų61.22%0.02133%0.33CS..SBendtrans53.725-174.4-53-176000114.6F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.09Å; F108-L129 HydrophobicContact CZ-CD1 3.7Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.32Å; K126-L129 PolarHBondContact O-N 2.89Å; E127-L129 PolarHBondContact O-N 3.4Å; L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.94Å; L129-R156 HydrophobicContact CD1-CG 3.97Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L129-E160 HydrophobicContact CD1-CG 4.02Å
130R97.7Very high98.3Very high168 Ų16861 Ų6163%0.63431%0.313SS*.SBendtrans-130.4-31.2-175.3-70174.3-172.1-146.64.5112.5D128 A152 R156D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 3.31Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 2.91Å; R130-A152 WeakPolarHBondContact O-CB 3.17Å; R130-R156 VanDerWaalsContact NH2-NH1 3.15Å
131S97.9Very high98.2Very high29 Ų2956.4 Ų56.420%0.20330%0.298CS..  trans-120.8163.1-174.972.90000112.5K126 D128K126-S131 WeakPolarHBondContact CB-O 3.38Å; K126-S131 VanDerWaalsContact CD-OG 3.26Å; K126-S131 WeakPolarHBondContact CD-OG 3.35Å; K126-S131 WeakPolarHBondContact CG-O 3.34Å; K126-S131 PolarHBondContact N-O 3.49Å; D128-S131 PolarHBondContact OD1-N 3.44Å; D128-S131 PolarHBondContact OD1-OG 3.25Å; D128-S131 WeakPolarHBondContact OD2-CB 3.39Å; D128-S131 PolarHBondContact OD2-OG 2.92Å
132W98.8Very high98.2Very high3 Ų351.1 Ų51.11%0.01127%0.27CS..EExtended strand (participates in β ladder)trans-118.6142.3-173.5-59.694000111.9H113 I123 A124 L125 K126 K143 W146 V151 A152 L155H113-W132 AromaticContact ND1-CH2 3.72Å; H113-W132 AromaticContact ND1-CZ3 3.81Å; I123-W132 HydrophobicContact CD1-CB 4.28Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.16Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.35Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; A124-W132 WeakPolarHBondContact O-CA 3.17Å; L125-W132 HydrophobicContact CB-CE3 4.03Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.67Å; L125-W132 HydrophobicContact CD1-CD2 4.2Å; L125-W132 HydrophobicContact CD1-CE3 4.28Å; L125-W132 HydrophobicContact CD1-CH2 4.05Å; L125-W132 HydrophobicContact CD1-CZ2 3.95Å; L125-W132 HydrophobicContact CD1-CZ3 4.19Å; K126-W132 WeakPolarHBondContact CE-O 3.45Å; W132-K143 HydrophobicContact CB-CD 4.09Å; W132-K143 HydrophobicContact CB-CG 3.98Å; W132-W146 AromaticContact CD2-CE3 4Å; W132-W146 HydrophobicContact CD2-CE3 4Å; W132-W146 AromaticContact CE2-CE3 3.79Å; 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 4.4Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CH2 4.5Å; W132-W146 AromaticContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CZ2-CD2 4.33Å; W132-W146 AromaticContact CZ2-CE3 3.43Å; W132-W146 HydrophobicContact CZ2-CE3 3.43Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.43Å; W132-W146 HydrophobicContact CZ2-CZ3 4.02Å; W132-W146 AromaticContact CZ3-CE3 3.48Å; W132-W146 HydrophobicContact CZ3-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.48Å; W132-W146 AromaticContact CZ3-CZ3 3.28Å; W132-W146 HydrophobicContact CZ3-CZ3 3.28Å; W132-V151 HydrophobicContact CZ2-CB 4.35Å; W132-V151 HydrophobicContact CZ2-CG1 4.13Å; W132-A152 HydrophobicContact CZ2-CB 4.21Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.88Å
133T98.7Very high98.2Very high76 Ų7652.6 Ų52.647%0.46628%0.277SS..EExtended strand (participates in β ladder)trans-100.8121.7163.1-58.70000108.1I123 A124 K126I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.42Å; I123-T133 WeakPolarHBondContact CG1-O 3.3Å; A124-T133 PolarHBondContact N-O 3.37Å; A124-T133 PolarHBondContact O-N 3.14Å; K126-T133 VanDerWaalsContact CE-OG1 3.26Å; K126-T133 WeakPolarHBondContact CE-OG1 3.38Å; K126-T133 WeakPolarHBondContact CG-OG1 3.22Å
134A98.6Very high98.2Very high16 Ų1657.9 Ų57.913%0.13230%0.301CS..EExtended strand (participates in β ladder)trans-107.2133.5175.100000108.9A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.27Å; A134-K143 HydrophobicContact CB-CB 4.35Å; A134-K143 HydrophobicContact CB-CD 4.26Å
135A98.4Very high98.2Very high60 Ų6062.2 Ų62.250%0.49632%0.315SS..SBendtrans-76.1-31.1-173.100000113.4D121 Y122D121-A135 HydrophobicContact CB-CB 4.46Å; D121-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 WeakPolarHBondContact O-CB 3.44Å; Y122-A135 PolarHBondContact O-N 2.71Å
136D98.1Very high98.1Very high59 Ų5964.1 Ų64.132%0.31632%0.321SS..SBendtrans-151.9-175.1-178.564.428.3000112.3Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 2.86Å; Y84-D136 PolarHBondContact OH-OD2 3.16Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.6Å; D136-A138 WeakPolarHBondContact OD1-CA 3.4Å; D136-A138 WeakPolarHBondContact OD1-CB 3.37Å; D136-A138 PolarHBondContact OD1-N 3.11Å; D136-A139 PolarHBondContact O-N 3.34Å; D136-A139 PolarHBondContact OD1-N 2.91Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 3.39Å
137M97.1Very high98.1Very high153 Ų15363.6 Ų63.675%0.75432%0.32SS*.Hα-helixtrans-64.9-30.3-179.4-67.8-55.8-58.900113.9Q140 T141M137-Q140 PolarHBondContact O-N 3.26Å; M137-Q140 HydrophobicContact SD-CG 4.43Å; M137-T141 PolarHBondContact O-N 3.03Å; M137-T141 PolarHBondContact O-OG1 3.19Å
138A97.2Very high98.2Very high11 Ų1161.2 Ų61.29%0.09132%0.323CS..Hα-helixtrans-67.6-46174.400000109.7Y83 Y84 Y122 D136 Q140 T141Y83-A138 HydrophobicContact CD2-CB 4.35Å; Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.47Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.91Å; Y84-A138 VanDerWaalsContact CZ-CB 3.49Å; Y122-A138 HydrophobicContact CE2-CB 4.34Å; Y122-A138 PolarHBondContact OH-O 3.4Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.6Å; D136-A138 WeakPolarHBondContact OD1-CA 3.4Å; D136-A138 WeakPolarHBondContact OD1-CB 3.37Å; D136-A138 PolarHBondContact OD1-N 3.11Å; A138-Q140 VanDerWaalsContact C-N 3.3Å; A138-Q140 PolarHBondContact O-N 3.25Å; A138-T141 VanDerWaalsContact O-CB 3.23Å; A138-T141 WeakPolarHBondContact O-CB 3.49Å; A138-T141 PolarHBondContact O-N 3.3Å
139A98.3Very high98.2Very high0 Ų060.2 Ų60.20%033%0.326CS..Hα-helixtrans-62.3-32.317500000113.7Y122 A134 D136 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE1-CB 4.4Å; Y122-A139 HydrophobicContact CE2-CB 3.66Å; Y122-A139 HydrophobicContact CG-CB 4.25Å; Y122-A139 WeakPolarHBondContact O-CB 3.26Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 PolarHBondContact O-N 3.34Å; D136-A139 PolarHBondContact OD1-N 2.91Å; A139-T141 PolarHBondContact O-N 3.12Å; A139-T142 PolarHBondContact O-N 2.84Å; A139-T142 VanDerWaalsContact O-N 3.15Å; A139-K143 PolarHBondContact O-N 2.89Å
140Q98.5Very high98.2Very high55 Ų5565.3 Ų65.326%0.25735%0.349SS..Hα-helixtrans-59.3-35.2172.5-67.6-65.9-16.700111.8A134 D136 M137 A138 T142 K143 H144A134-Q140 HydrophobicContact CB-CG 4.27Å; D136-Q140 WeakPolarHBondContact O-CG 3.23Å; D136-Q140 PolarHBondContact O-N 3.39Å; M137-Q140 PolarHBondContact O-N 3.26Å; M137-Q140 HydrophobicContact SD-CG 4.43Å; A138-Q140 VanDerWaalsContact C-N 3.3Å; A138-Q140 PolarHBondContact O-N 3.25Å; Q140-T142 PolarHBondContact O-N 2.89Å; Q140-K143 WeakPolarHBondContact O-CB 3.43Å; Q140-K143 PolarHBondContact O-N 2.9Å; Q140-H144 PolarHBondContact O-CD2 3.15Å; Q140-H144 VanDerWaalsContact O-CD2 3.23Å; Q140-H144 PolarHBondContact O-N 3.38Å
141T97.9Very high98.2Very high61 Ų6158.6 Ų58.637%0.37433%0.327SS..Hα-helixtrans-62.9-43.6175.7-55.70000111.2Y83 M137 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.11Å; Y83-T141 HydrophobicContact CE2-CG2 4.18Å; M137-T141 PolarHBondContact O-N 3.03Å; M137-T141 PolarHBondContact O-OG1 3.19Å; A138-T141 VanDerWaalsContact O-CB 3.23Å; A138-T141 WeakPolarHBondContact O-CB 3.49Å; A138-T141 PolarHBondContact O-N 3.3Å; A139-T141 PolarHBondContact O-N 3.12Å; T141-K145 WeakPolarHBondContact O-CG 3.44Å; T141-K145 PolarHBondContact O-N 3.28Å
142T98.2Very high98.2Very high16 Ų1657.6 Ų57.610%0.09832%0.32CS..Hα-helixtrans-65.6-43.1173.6-69.20000111.6Y122 I123 A139 Q140 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.17Å; Y122-T142 WeakPolarHBondContact OH-CB 3.41Å; Y122-T142 PolarHBondContact OH-OG1 3.19Å; I123-T142 HydrophobicContact CD1-CG2 4.06Å; A139-T142 PolarHBondContact O-N 2.84Å; A139-T142 VanDerWaalsContact O-N 3.15Å; Q140-T142 PolarHBondContact O-N 2.89Å; T142-H144 PolarHBondContact O-N 3.37Å; T142-K145 WeakPolarHBondContact O-CB 3.27Å; T142-K145 PolarHBondContact O-N 2.87Å; T142-W146 HydrophobicContact CG2-CD2 3.85Å; T142-W146 HydrophobicContact CG2-CE3 4.33Å; T142-W146 HydrophobicContact CG2-CG 4.19Å; T142-W146 HydrophobicContact CG2-CH2 4.41Å; T142-W146 HydrophobicContact CG2-CZ2 3.96Å; T142-W146 PolarHBondContact O-N 2.92Å
143K98.6Very high98.2Very high42 Ų4263.5 Ų63.518%0.18335%0.348CS..Hα-helixtrans-54.5-50.5177.8174.9176.2169.1-172.30111.7I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.85Å; W132-K143 HydrophobicContact CB-CD 4.09Å; W132-K143 HydrophobicContact CB-CG 3.98Å; A134-K143 HydrophobicContact CB-CB 4.35Å; A134-K143 HydrophobicContact CB-CD 4.26Å; A139-K143 PolarHBondContact O-N 2.89Å; Q140-K143 WeakPolarHBondContact O-CB 3.43Å; Q140-K143 PolarHBondContact O-N 2.9Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.42Å; K143-W146 PolarHBondContact O-N 3.32Å; K143-W146 VanDerWaalsContact O-N 3.14Å; K143-E147 WeakPolarHBondContact CE-OE1 3.34Å; K143-E147 HydrophobicContact CG-CG 4.28Å; K143-E147 IonicContact NZ-OE1 3.33Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.29Å; K143-E147 PolarHBondContact O-N 3.16Å
144H98.4Very high98.1Very high115 Ų11566.7 Ų66.753%0.53236%0.358SS..Hα-helixtrans-60.6-39.7178.9-70.8-43.3000112.9Q140 T142 E147 A148Q140-H144 PolarHBondContact O-CD2 3.15Å; Q140-H144 VanDerWaalsContact O-CD2 3.23Å; Q140-H144 PolarHBondContact O-N 3.38Å; T142-H144 PolarHBondContact O-N 3.37Å; H144-E147 IonicContact ND1-OE2 3.11Å; H144-A148 WeakPolarHBondContact O-CB 3.42Å; H144-A148 PolarHBondContact O-N 3.14Å
145K98Very high98.1Very high120 Ų12066.9 Ų66.952%0.52236%0.357SS..Hα-helixtrans-62.7-43.5174.8-71.3177.2176.7-177.20111.7Y83 T141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 2.95Å; T141-K145 WeakPolarHBondContact O-CG 3.44Å; T141-K145 PolarHBondContact O-N 3.28Å; T142-K145 WeakPolarHBondContact O-CB 3.27Å; T142-K145 PolarHBondContact O-N 2.87Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.42Å; K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.24Å; K145-A149 PolarHBondContact O-N 3.4Å
146W98.4Very high98.1Very high54 Ų5467.7 Ų67.721%0.20535%0.347CS..Hα-helixtrans-73.1-34-178.3-75.89.3000113.2Y115 I123 W132 T142 K143 A149 H150 V151Y115-W146 AromaticContact CD2-CH2 3.85Å; Y115-W146 HydrophobicContact CD2-CH2 3.85Å; Y115-W146 AromaticContact CE2-CH2 3.5Å; Y115-W146 HydrophobicContact CE2-CH2 3.5Å; Y115-W146 HydrophobicContact CE2-CZ2 4.35Å; Y115-W146 HydrophobicContact CE2-CZ3 4.37Å; I123-W146 HydrophobicContact CD1-CE3 4.05Å; I123-W146 HydrophobicContact CD1-CZ3 4.26Å; I123-W146 HydrophobicContact CG2-CH2 4Å; I123-W146 HydrophobicContact CG2-CZ3 3.74Å; W132-W146 AromaticContact CD2-CE3 4Å; W132-W146 HydrophobicContact CD2-CE3 4Å; W132-W146 AromaticContact CE2-CE3 3.79Å; 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 4.4Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CH2 4.5Å; W132-W146 AromaticContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CH2-CZ3 3.31Å; W132-W146 HydrophobicContact CZ2-CD2 4.33Å; W132-W146 AromaticContact CZ2-CE3 3.43Å; W132-W146 HydrophobicContact CZ2-CE3 3.43Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.43Å; W132-W146 HydrophobicContact CZ2-CZ3 4.02Å; W132-W146 AromaticContact CZ3-CE3 3.48Å; W132-W146 HydrophobicContact CZ3-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.48Å; W132-W146 AromaticContact CZ3-CZ3 3.28Å; W132-W146 HydrophobicContact CZ3-CZ3 3.28Å; T142-W146 HydrophobicContact CG2-CD2 3.85Å; T142-W146 HydrophobicContact CG2-CE3 4.33Å; T142-W146 HydrophobicContact CG2-CG 4.19Å; T142-W146 HydrophobicContact CG2-CH2 4.41Å; T142-W146 HydrophobicContact CG2-CZ2 3.96Å; T142-W146 PolarHBondContact O-N 2.92Å; K143-W146 PolarHBondContact O-N 3.32Å; K143-W146 VanDerWaalsContact O-N 3.14Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.24Å; W146-H150 PolarHBondContact O-N 2.92Å; W146-H150 VanDerWaalsContact O-N 3.08Å; W146-V151 HydrophobicContact CB-CB 4.01Å; W146-V151 HydrophobicContact CB-CG2 3.94Å; W146-V151 HydrophobicContact CD2-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.16Å; W146-V151 HydrophobicContact CG-CG1 4.4Å; W146-V151 HydrophobicContact CG-CG2 3.91Å; W146-V151 PolarHBondContact O-N 2.9Å
147E98.5Very high98.1Very high82 Ų8268 Ų6838%0.38336%0.358SS..Hα-helixtrans-65.1-48.5171.5-73.5174160.900110.7K143 H144 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.34Å; K143-E147 HydrophobicContact CG-CG 4.28Å; K143-E147 IonicContact NZ-OE1 3.33Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.29Å; K143-E147 PolarHBondContact O-N 3.16Å; H144-E147 IonicContact ND1-OE2 3.11Å; E147-A149 PolarHBondContact O-N 3.38Å; E147-H150 PolarHBondContact O-N 2.89Å; E147-H150 VanDerWaalsContact O-N 3.09Å
148A98.3Very high98.2Very high82 Ų8263.8 Ų63.868%0.67833%0.334SS*.Hα-helixtrans-62.3-30.1177.400000113.1H144H144-A148 WeakPolarHBondContact O-CB 3.42Å; H144-A148 PolarHBondContact O-N 3.14Å
149A98.1Very high98.2Very high59 Ų5963.4 Ų63.449%0.48833%0.33SS..THydrogen-bonded Turntrans-93.55.6177.800000113.9K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 3.24Å; K145-A149 PolarHBondContact O-N 3.4Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.24Å; E147-A149 PolarHBondContact O-N 3.38Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 3.17Å; A149-V151 VanDerWaalsContact O-N 3.16Å
150H97.6Very high98.2Very high110 Ų11067.1 Ų67.151%0.50935%0.348SS..THydrogen-bonded Turntrans53.134.6179.7-63.6-93.3000114.2W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.92Å; W146-H150 VanDerWaalsContact O-N 3.08Å; E147-H150 PolarHBondContact O-N 2.89Å; E147-H150 VanDerWaalsContact O-N 3.09Å; H150-A152 PolarHBondContact O-N 3.48Å; H150-E153 IonicContact CE1-OE1 3.68Å; H150-E153 IonicContact CG-OE1 3.75Å; H150-E153 IonicContact ND1-OE1 2.95Å; H150-E153 PolarHBondContact ND1-OE1 3.26Å; H150-E153 PolarHBondContact O-N 2.64Å; H150-E153 VanDerWaalsContact O-N 3.13Å
151V98.3Very high98.2Very high28 Ų2865.6 Ų65.617%0.1735%0.346CS..Hα-helixtrans-60.6-33.6-174.4176.10000112.1W132 W146 A149 E153 Q154 L155W132-V151 HydrophobicContact CZ2-CB 4.35Å; W132-V151 HydrophobicContact CZ2-CG1 4.13Å; W146-V151 HydrophobicContact CB-CB 4.01Å; W146-V151 HydrophobicContact CB-CG2 3.94Å; W146-V151 HydrophobicContact CD2-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.16Å; W146-V151 HydrophobicContact CG-CG1 4.4Å; W146-V151 HydrophobicContact CG-CG2 3.91Å; W146-V151 PolarHBondContact O-N 2.9Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 3.17Å; A149-V151 VanDerWaalsContact O-N 3.16Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 3.07Å; V151-Q154 PolarHBondContact O-N 3.4Å; V151-L155 HydrophobicContact CG1-CD1 3.88Å; V151-L155 HydrophobicContact CG1-CG 4.24Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 2.77Å; V151-L155 VanDerWaalsContact O-N 3.14Å
152A98.4Very high98.2Very high8 Ų865.3 Ų65.37%0.06635%0.345CS..Hα-helixtrans-60.3-35.7179.400000112.6L125 R130 W132 H150 L155 R156L125-A152 HydrophobicContact CD1-CB 3.96Å; R130-A152 WeakPolarHBondContact O-CB 3.17Å; W132-A152 HydrophobicContact CZ2-CB 4.21Å; H150-A152 PolarHBondContact O-N 3.48Å; A152-L155 PolarHBondContact O-N 2.99Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.01Å; A152-R156 PolarHBondContact O-N 3.38Å
153E97.9Very high98.3Very high127 Ų12764.5 Ų64.559%0.59334%0.34SS*.Hα-helixtrans-66.4-41.1-179.7-64.5174.9-155.400111.7H150 V151 R156 A157H150-E153 IonicContact CE1-OE1 3.68Å; H150-E153 IonicContact CG-OE1 3.75Å; H150-E153 IonicContact ND1-OE1 2.95Å; H150-E153 PolarHBondContact ND1-OE1 3.26Å; H150-E153 PolarHBondContact O-N 2.64Å; H150-E153 VanDerWaalsContact O-N 3.13Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 3.07Å; E153-R156 PolarHBondContact O-N 3.42Å; E153-A157 PolarHBondContact O-N 3.46Å
154Q97.2Very high98.2Very high142 Ų14262.9 Ų62.966%0.66433%0.333SS*.Hα-helixtrans-65.3-43.3176.3-62.1-179.3-100111.5V151 A157 Y158V151-Q154 PolarHBondContact O-N 3.4Å; Q154-A157 PolarHBondContact O-N 3.3Å; Q154-Y158 PolarHBondContact O-N 2.97Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å
155L98.3Very high98.2Very high21 Ų2163.4 Ų63.411%0.1134%0.336CS..Hα-helixtrans-66.1-41.2178-67.8173.4000111.4H113 L125 W132 V151 A152 A157 Y158 L159H113-L155 HydrophobicContact CB-CD1 4.28Å; H113-L155 VanDerWaalsContact CE1-CD1 3.48Å; H113-L155 WeakPolarHBondContact CE1-CD1 3.16Å; H113-L155 WeakPolarHBondContact ND1-CD1 3.48Å; L125-L155 HydrophobicContact CD2-CB 4.28Å; L125-L155 HydrophobicContact CD2-CD1 4.49Å; W132-L155 HydrophobicContact CH2-CD1 3.41Å; W132-L155 VanDerWaalsContact CH2-CD1 3.41Å; W132-L155 HydrophobicContact CZ2-CD1 3.88Å; V151-L155 HydrophobicContact CG1-CD1 3.88Å; V151-L155 HydrophobicContact CG1-CG 4.24Å; V151-L155 WeakPolarHBondContact O-CG 3.45Å; V151-L155 PolarHBondContact O-N 2.77Å; V151-L155 VanDerWaalsContact O-N 3.14Å; A152-L155 PolarHBondContact O-N 2.99Å; L155-A157 PolarHBondContact O-N 2.91Å; L155-Y158 PolarHBondContact O-N 2.95Å; L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 WeakPolarHBondContact O-CG 3.09Å; L155-L159 PolarHBondContact O-N 3.19Å
156R98.4Very high98.3Very high76 Ų7661.1 Ų61.129%0.28732%0.324SS..Hα-helixtrans-58.7-46.9175.2-177.6173.1-179-138.5-15.1111.6L129 R130 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.94Å; L129-R156 HydrophobicContact CD1-CG 3.97Å; R130-R156 VanDerWaalsContact NH2-NH1 3.15Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.01Å; A152-R156 PolarHBondContact O-N 3.38Å; E153-R156 PolarHBondContact O-N 3.42Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 3.06Å; R156-L159 PolarHBondContact O-N 3.31Å; R156-E160 HydrophobicContact CG-CG 4.16Å; R156-E160 IonicContact CZ-OE1 2.68Å; R156-E160 IonicContact CZ-OE2 3.4Å; R156-E160 IonicContact NE-OE1 3.22Å; R156-E160 PolarHBondContact NE-OE1 3.13Å; R156-E160 IonicContact NE-OE2 2.81Å; R156-E160 PolarHBondContact NE-OE2 3.45Å; R156-E160 IonicContact NH2-OE1 3.95Å; R156-E160 PolarHBondContact NH2-OE1 3.1Å; R156-E160 VanDerWaalsContact NH2-OE1 3.08Å; R156-E160 IonicContact NH2-OE2 3.08Å; R156-E160 PolarHBondContact NH2-OE2 3.2Å; R156-E160 WeakPolarHBondContact O-CB 3.21Å; R156-E160 PolarHBondContact O-N 2.83Å
157A98.4Very high98.3Very high67 Ų6758.6 Ų58.655%0.55432%0.315SS*.Hα-helixtrans-58.9-41.117700000112.3E153 Q154 L155 G161E153-A157 PolarHBondContact O-N 3.46Å; Q154-A157 PolarHBondContact O-N 3.3Å; L155-A157 PolarHBondContact O-N 2.91Å; A157-G161 PolarHBondContact O-N 3.33Å; A157-G161 VanDerWaalsContact O-N 3.13Å
158Y98.4Very high98.2Very high64 Ų6460 Ų6025%0.25132%0.317SS..Iπ-helixtrans-66.2-47.1174.4171.5-95.9000112.5Y98 Q154 L155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.83Å; Y98-Y158 HydrophobicContact CD2-CE1 3.83Å; Y98-Y158 AromaticContact CE2-CE1 3.76Å; Y98-Y158 HydrophobicContact CE2-CE1 3.76Å; Y98-Y158 AromaticContact CE2-CZ 3.96Å; Q154-Y158 PolarHBondContact O-N 2.97Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å; L155-Y158 PolarHBondContact O-N 2.95Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 3.06Å; Y158-T162 HydrophobicContact CD2-CG2 3.97Å; Y158-T162 HydrophobicContact CE2-CG2 3.82Å; Y158-T162 PolarHBondContact O-N 3.47Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.9Å; Y158-C163 WeakPolarHBondContact O-CB 3.48Å; Y158-C163 PolarHBondContact O-N 2.94Å
159L98.7Very high98.2Very high2 Ų261.5 Ų61.51%0.0131%0.305CS..Iπ-helixtrans-70-40.7-173.6-69.5167.8000112.4G99 F108 L125 L129 L155 R156 V164G99-L159 WeakPolarHBondContact O-CD2 3.44Å; F108-L159 HydrophobicContact CE2-CB 4.4Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å; L129-L159 HydrophobicContact CD2-CD1 4Å; L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 WeakPolarHBondContact O-CG 3.09Å; L155-L159 PolarHBondContact O-N 3.19Å; R156-L159 PolarHBondContact O-N 3.31Å; L159-V164 WeakPolarHBondContact O-CG2 3.21Å
160E98.4Very high98.2Very high79 Ų7958.8 Ų58.837%0.36928%0.282SS..Iπ-helixtrans-79.5-25.5178.5-67.4-179.8169.400112.5F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.3Å; F108-E160 HydrophobicContact CE1-CG 4.22Å; F108-E160 HydrophobicContact CE2-CG 4.48Å; F108-E160 HydrophobicContact CG-CG 4.47Å; F108-E160 HydrophobicContact CZ-CG 4.32Å; L129-E160 HydrophobicContact CD1-CG 4.02Å; R156-E160 HydrophobicContact CG-CG 4.16Å; R156-E160 IonicContact CZ-OE1 2.68Å; R156-E160 IonicContact CZ-OE2 3.4Å; R156-E160 IonicContact NE-OE1 3.22Å; R156-E160 PolarHBondContact NE-OE1 3.13Å; R156-E160 IonicContact NE-OE2 2.81Å; R156-E160 PolarHBondContact NE-OE2 3.45Å; R156-E160 IonicContact NH2-OE1 3.95Å; R156-E160 PolarHBondContact NH2-OE1 3.1Å; R156-E160 VanDerWaalsContact NH2-OE1 3.08Å; R156-E160 IonicContact NH2-OE2 3.08Å; R156-E160 PolarHBondContact NH2-OE2 3.2Å; R156-E160 WeakPolarHBondContact O-CB 3.21Å; R156-E160 PolarHBondContact O-N 2.83Å
161G98.2Very high98.2Very high22 Ų2253.6 Ų53.623%0.22726%0.258CS..Iπ-helixtrans-106.7-93.7-17800000112.9A157 C163 V164 E165A157-G161 PolarHBondContact O-N 3.33Å; A157-G161 VanDerWaalsContact O-N 3.13Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.45Å; G161-C163 VanDerWaalsContact O-N 3.14Å; G161-V164 PolarHBondContact O-N 2.98Å; G161-E165 WeakPolarHBondContact O-CG 3.33Å; G161-E165 PolarHBondContact O-N 3.11Å
162T98.2Very high98.1Very high55 Ų5558.3 Ų58.334%0.33728%0.278SS..Iπ-helixtrans-51-42.8-171.3-560000113.4Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 3.97Å; Y158-T162 HydrophobicContact CE2-CG2 3.82Å; Y158-T162 PolarHBondContact O-N 3.47Å; T162-V164 PolarHBondContact O-N 2.91Å; T162-E165 PolarHBondContact O-N 2.83Å; T162-W166 WeakPolarHBondContact O-CB 3.46Å; T162-W166 PolarHBondContact O-N 2.69Å
163C98.6Very high98.1Very high0 Ų060.2 Ų60.20%029%0.287CS..Hα-helixtrans-60.3-48.2179.1-173.80000111.6M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.13Å; M4-C163 WeakPolarHBondContact CE-O 3.33Å; M4-C163 WeakPolarHBondContact CE-SG 3.14Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.46Å; C100-C163 PolarHBondContact N-SG 3.35Å; C100-C163 WeakPolarHBondContact SG-CB 3.08Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.84Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.9Å; Y158-C163 WeakPolarHBondContact O-CB 3.48Å; Y158-C163 PolarHBondContact O-N 2.94Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.45Å; G161-C163 VanDerWaalsContact O-N 3.14Å; C163-L167 WeakPolarHBondContact O-CB 3.22Å; C163-L167 PolarHBondContact O-N 3.29Å
164V98.5Very high98Very high8 Ų854.3 Ų54.35%0.04826%0.26CS..Hα-helixtrans-67-41.5-179.71740000111.2C100 V102 F108 L159 G161 T162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.37Å; V102-V164 HydrophobicContact CG1-CB 4.43Å; V102-V164 HydrophobicContact CG1-CG1 3.93Å; V102-V164 HydrophobicContact CG1-CG2 4.01Å; F108-V164 HydrophobicContact CB-CG2 4.12Å; F108-V164 HydrophobicContact CD2-CG2 3.78Å; F108-V164 HydrophobicContact CG-CG2 4.45Å; L159-V164 WeakPolarHBondContact O-CG2 3.21Å; G161-V164 PolarHBondContact O-N 2.98Å; T162-V164 PolarHBondContact O-N 2.91Å; V164-L167 PolarHBondContact O-N 3.03Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.38Å; V164-R168 PolarHBondContact O-N 3.13Å
165E98.3Very high97.9Very high125 Ų12552.8 Ų52.858%0.58425%0.251SS*.Hα-helixtrans-60.3-47.6177.7-71.2172.6173.600111.8G161 T162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.33Å; G161-E165 PolarHBondContact O-N 3.11Å; T162-E165 PolarHBondContact O-N 2.83Å; E165-R168 PolarHBondContact O-N 2.95Å; E165-R169 PolarHBondContact O-N 3.28Å; E165-R169 VanDerWaalsContact O-N 3.09Å
166W98.4Very high97.7Very high73 Ų7360.4 Ų60.428%0.27729%0.286SS..Hα-helixtrans-68.6-41.1177.9-81.8103.1000112.4M4 Y58 T162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.14Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.18Å; Y58-W166 AromaticContact CD2-CZ3 3.86Å; Y58-W166 HydrophobicContact CD2-CZ3 3.86Å; Y58-W166 HydrophobicContact CE2-CE3 4.27Å; Y58-W166 AromaticContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CZ2 4.38Å; Y58-W166 AromaticContact CE2-CZ3 3.73Å; Y58-W166 HydrophobicContact CE2-CZ3 3.73Å; T162-W166 WeakPolarHBondContact O-CB 3.46Å; T162-W166 PolarHBondContact O-N 2.69Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.38Å; W166-R169 PolarHBondContact O-N 3.42Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CD2-CE1 4.49Å; W166-Y170 HydrophobicContact CE3-CD1 4.32Å; W166-Y170 AromaticContact CE3-CE1 3.4Å; W166-Y170 HydrophobicContact CE3-CE1 3.4Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.4Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-OH 3.27Å; W166-Y170 AromaticContact CZ3-CE1 3.84Å; W166-Y170 HydrophobicContact CZ3-CE1 3.84Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.15Å; W166-Y170 PolarHBondContact O-N 3.28Å
167L98.6Very high97.4Very high0 Ų058.8 Ų58.80%029%0.285CS..Hα-helixtrans-57.8-45.3175.4175.254000111.1H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.43Å; M4-L167 HydrophobicContact CB-CB 4.1Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.18Å; M4-L167 HydrophobicContact CB-CG 4.31Å; M4-L167 HydrophobicContact CE-CB 4.43Å; V27-L167 HydrophobicContact CB-CD1 4.48Å; V27-L167 HydrophobicContact CG1-CD1 3.58Å; V27-L167 HydrophobicContact CG2-CD1 4.17Å; V102-L167 HydrophobicContact CB-CD2 4.42Å; V102-L167 HydrophobicContact CG1-CD2 3.99Å; V102-L167 HydrophobicContact CG2-CD2 3.66Å; V102-L167 HydrophobicContact CG2-CG 4.33Å; C163-L167 WeakPolarHBondContact O-CB 3.22Å; C163-L167 PolarHBondContact O-N 3.29Å; V164-L167 PolarHBondContact O-N 3.03Å; L167-R169 PolarHBondContact O-N 3.39Å; L167-Y170 PolarHBondContact O-N 2.88Å; L167-L171 HydrophobicContact CD1-CD1 3.69Å; L167-L171 HydrophobicContact CD1-CD2 4.5Å; L167-L171 HydrophobicContact CD1-CG 3.89Å; L167-L171 HydrophobicContact CG-CD1 3.92Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.4Å
168R97.6Very high97.2Very high113 Ų11355.7 Ų55.743%0.42626%0.259SS..Hα-helixtrans-60.6-44175.7-72.4173.8-178.4-175.51112.3W106 V164 E165 W166 Y170 L171 E172W106-R168 HydrophobicContact CB-CG 4.47Å; W106-R168 VanDerWaalsContact O-CZ 3.3Å; W106-R168 PolarHBondContact O-NE 3.46Å; W106-R168 VanDerWaalsContact O-NE 3.08Å; W106-R168 PolarHBondContact O-NH2 3Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.38Å; V164-R168 PolarHBondContact O-N 3.13Å; E165-R168 PolarHBondContact O-N 2.95Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 3.38Å; R168-Y170 PolarHBondContact O-N 3.46Å; R168-L171 PolarHBondContact O-N 3.46Å; R168-E172 PolarHBondContact O-N 2.89Å
169R97.7Very high97Very high113 Ų11356 Ų5643%0.42626%0.263SS..Hα-helixtrans-59.7-45.9176177.6177.5172.493.5-5.8111.4E54 E165 W166 L167 L171 E172 N173E54-R169 IonicContact OE1-CZ 2.81Å; E54-R169 IonicContact OE1-NE 3.23Å; E54-R169 PolarHBondContact OE1-NE 3.05Å; E54-R169 IonicContact OE1-NH2 3.03Å; E54-R169 PolarHBondContact OE1-NH2 3.5Å; E54-R169 VanDerWaalsContact OE1-NH2 3.13Å; E54-R169 IonicContact OE2-CZ 2.7Å; E54-R169 IonicContact OE2-NE 3.58Å; E54-R169 IonicContact OE2-NH2 2.97Å; E54-R169 PolarHBondContact OE2-NH2 3.33Å; E165-R169 PolarHBondContact O-N 3.28Å; E165-R169 VanDerWaalsContact O-N 3.09Å; W166-R169 PolarHBondContact O-N 3.42Å; L167-R169 PolarHBondContact O-N 3.39Å; R169-L171 VanDerWaalsContact C-N 3.35Å; R169-L171 PolarHBondContact O-N 2.99Å; R169-E172 PolarHBondContact O-N 2.82Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.35Å; R169-N173 PolarHBondContact O-N 2.77Å; R169-N173 PolarHBondContact O-OD1 2.98Å
170Y98.2Very high96.7Very high2 Ų259.6 Ų59.61%0.00828%0.276CS..Hα-helixtrans-65-38.4179.3-61.2-27.4000112.5M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.79Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 3.94Å; F32-Y170 HydrophobicContact CE2-CD2 4.4Å; F32-Y170 AromaticContact CE2-CE2 3.75Å; F32-Y170 HydrophobicContact CE2-CE2 3.75Å; F32-Y170 HydrophobicContact CZ-CD2 4.4Å; F32-Y170 AromaticContact CZ-CE2 3.84Å; F32-Y170 HydrophobicContact CZ-CE2 3.84Å; W50-Y170 HydrophobicContact CE3-CD1 4.4Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.14Å; W50-Y170 AromaticContact CZ3-CD1 3.71Å; W50-Y170 HydrophobicContact CZ3-CD1 3.71Å; W50-Y170 HydrophobicContact CZ3-CD2 4.27Å; W50-Y170 HydrophobicContact CZ3-CE1 4.45Å; W50-Y170 AromaticContact CZ3-CG 3.61Å; W50-Y170 HydrophobicContact CZ3-CG 3.61Å; I51-Y170 HydrophobicContact CD1-CD1 3.77Å; I51-Y170 HydrophobicContact CD1-CE1 3.24Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.3Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.38Å; Y58-Y170 PolarHBondContact OH-OH 2.85Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CD2-CE1 4.49Å; W166-Y170 HydrophobicContact CE3-CD1 4.32Å; W166-Y170 AromaticContact CE3-CE1 3.4Å; W166-Y170 HydrophobicContact CE3-CE1 3.4Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.4Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.46Å; W166-Y170 VanDerWaalsContact CE3-OH 3.27Å; W166-Y170 AromaticContact CZ3-CE1 3.84Å; W166-Y170 HydrophobicContact CZ3-CE1 3.84Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.15Å; W166-Y170 PolarHBondContact O-N 3.28Å; L167-Y170 PolarHBondContact O-N 2.88Å; R168-Y170 PolarHBondContact O-N 3.46Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.18Å; Y170-N173 PolarHBondContact O-N 3.09Å; Y170-G174 WeakPolarHBondContact O-CA 3.08Å; Y170-G174 PolarHBondContact O-N 3.06Å; Y170-L178 WeakPolarHBondContact O-CD1 3.42Å
171L97.1Very high96.6Very high1 Ų158.7 Ų58.71%0.00528%0.276CS..Hα-helixtrans-68.7-30.6177.1-70171.3000113.3H2 V27 W106 L167 R168 R169 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.54Å; H2-L171 HydrophobicContact CB-CD2 4.26Å; V27-L171 HydrophobicContact CG1-CD2 3.79Å; V27-L171 HydrophobicContact CG1-CG 4.33Å; W106-L171 HydrophobicContact CE3-CD1 4.14Å; W106-L171 HydrophobicContact CH2-CB 4.37Å; W106-L171 HydrophobicContact CH2-CD1 3.86Å; W106-L171 HydrophobicContact CZ3-CB 4.4Å; W106-L171 HydrophobicContact CZ3-CD1 3.24Å; W106-L171 HydrophobicContact CZ3-CG 4.41Å; L167-L171 HydrophobicContact CD1-CD1 3.69Å; L167-L171 HydrophobicContact CD1-CD2 4.5Å; L167-L171 HydrophobicContact CD1-CG 3.89Å; L167-L171 HydrophobicContact CG-CD1 3.92Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 3.4Å; R168-L171 PolarHBondContact O-N 3.46Å; R169-L171 VanDerWaalsContact C-N 3.35Å; R169-L171 PolarHBondContact O-N 2.99Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 WeakPolarHBondContact O-CB 3.44Å; L171-K175 PolarHBondContact O-N 3.17Å; L171-L178 HydrophobicContact CD2-CB 3.74Å; L171-L178 HydrophobicContact CD2-CD1 4.03Å; L171-Q179 PolarHBondContact O-NE2 2.86Å
172E96.9Very high96.6Very high126 Ų12660.1 Ų60.159%0.58928%0.279SS*.Hα-helixtrans-72.4-49.2171.1-171.859.8-153.300110.6R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 2.89Å; R169-E172 PolarHBondContact O-N 2.82Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-E172 PolarHBondContact O-N 3.18Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.25Å; E172-K175 WeakPolarHBondContact O-CB 3.3Å; E172-K175 PolarHBondContact O-N 3.13Å
173N97.4Very high96.6Very high49 Ų4959.6 Ų59.626%0.26228%0.28SS..Hα-helixtrans-59.7-40.1179.4-77.22.3000113.1Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.11Å; E54-N173 PolarHBondContact OE1-ND2 3.29Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.35Å; R169-N173 PolarHBondContact O-N 2.77Å; R169-N173 PolarHBondContact O-OD1 2.98Å; Y170-N173 PolarHBondContact O-N 3.09Å
174G96.8Very high96.6Very high3 Ų360 Ų603%0.03128%0.283CS..THydrogen-bonded Turntrans-105.117.9-175.600000113.8Y170 E172 E176 T177 L178Y170-G174 WeakPolarHBondContact O-CA 3.08Å; Y170-G174 PolarHBondContact O-N 3.06Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.25Å; G174-E176 VanDerWaalsContact C-N 3.27Å; G174-E176 PolarHBondContact O-N 3.22Å; G174-E176 VanDerWaalsContact O-N 3.11Å; G174-T177 PolarHBondContact O-N 3.12Å; G174-T177 PolarHBondContact O-OG1 2.8Å; G174-L178 PolarHBondContact O-N 3.07Å
175K95.4Very high96.6Very high109 Ų10966.6 Ų66.647%0.47431%0.311SS..Hα-helixtrans-48-43.4-170.4-177.9172-175.4176.30114.4L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 WeakPolarHBondContact O-CB 3.44Å; L171-K175 PolarHBondContact O-N 3.17Å; E172-K175 WeakPolarHBondContact O-CB 3.3Å; E172-K175 PolarHBondContact O-N 3.13Å; K175-T177 PolarHBondContact O-N 2.95Å; K175-Q179 HydrophobicContact CG-CB 4.48Å; K175-Q179 HydrophobicContact CG-CG 4.41Å; K175-Q179 WeakPolarHBondContact O-CB 3.21Å; K175-Q179 PolarHBondContact O-N 3.26Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
176E92.8Very high96.6Very high181 Ų18162.3 Ų62.385%0.84629%0.293SS*.Hα-helixtrans-63-24.6179.9-62.8-175.4168.500113.7G174G174-E176 VanDerWaalsContact C-N 3.27Å; G174-E176 PolarHBondContact O-N 3.22Å; G174-E176 VanDerWaalsContact O-N 3.11Å
177T93.1Very high96.5Very high42 Ų4262.7 Ų62.726%0.25830%0.298SS..Hα-helixtrans-108.1-39.9-177.857.40000113.3G174 K175 R180G174-T177 PolarHBondContact O-N 3.12Å; G174-T177 PolarHBondContact O-OG1 2.8Å; K175-T177 PolarHBondContact O-N 2.95Å; T177-R180 WeakPolarHBondContact O-CG 3.35Å
178L94.4Very high96.4Very high3 Ų364.3 Ų64.32%0.01631%0.306CS..Hα-helixtrans-87.1-25.2-173.3-61.7173.1000113V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.29Å; V27-L178 HydrophobicContact CB-CD2 4.12Å; V27-L178 HydrophobicContact CG1-CD1 3.97Å; V27-L178 HydrophobicContact CG1-CD2 4.11Å; T30-L178 HydrophobicContact CG2-CD2 3.94Å; W50-L178 HydrophobicContact CD2-CD1 4.32Å; W50-L178 HydrophobicContact CH2-CD1 4.29Å; W50-L178 HydrophobicContact CZ2-CD1 3.75Å; W50-L178 HydrophobicContact CZ2-CD2 4.05Å; W50-L178 HydrophobicContact CZ2-CG 4.34Å; Y170-L178 WeakPolarHBondContact O-CD1 3.42Å; L171-L178 HydrophobicContact CD2-CB 3.74Å; L171-L178 HydrophobicContact CD2-CD1 4.03Å; G174-L178 PolarHBondContact O-N 3.07Å
179Q93.1Very high96.3Very high71 Ų7160.5 Ų60.533%0.33230%0.296SS..SBendtrans-104.214.1175.7-54.8-178.330.200111.6L171 K175L171-Q179 PolarHBondContact O-NE2 2.86Å; K175-Q179 HydrophobicContact CG-CB 4.48Å; K175-Q179 HydrophobicContact CG-CG 4.41Å; K175-Q179 WeakPolarHBondContact O-CB 3.21Å; K175-Q179 PolarHBondContact O-N 3.26Å; K175-Q179 VanDerWaalsContact O-N 3.16Å
180R94.2Very high96.3Very high77 Ų7758 Ų5829%0.29129%0.288SS..  trans-83151171.191.1-176.4179.4-137-8.7109.3T177 D182 Y208T177-R180 WeakPolarHBondContact O-CG 3.35Å; R180-D182 WeakPolarHBondContact CD-OD2 3.44Å; R180-D182 IonicContact CZ-OD2 3.65Å; R180-D182 IonicContact NE-OD2 3.82Å; R180-D182 PolarHBondContact NE-OD2 3.41Å; R180-D182 IonicContact NH2-OD2 2.7Å; R180-Y208 HydrophobicContact CG-CD1 4.16Å; R180-Y208 WeakPolarHBondContact O-CD1 2.99Å
181T95.6Very high96.1Very high60 Ų6062.3 Ų62.337%0.36831%0.308SS..  trans-132.6119169.8-52.50000108.2Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.5Å; T181-Y208 WeakPolarHBondContact CG2-O 3.37Å; T181-E263 HydrophobicContact CG2-CB 4.41Å; T181-E263 HydrophobicContact CG2-CG 3.6Å; T181-E263 WeakPolarHBondContact CG2-OE1 3.49Å; T181-E263 PolarHBondContact OG1-OE1 3.13Å
182D97.5Very high95.9Very high51 Ų5166 Ų6627%0.27334%0.34SS..BIsolated β-bridgetrans-101.5113.5-178.7-60.7-43.4000108.5R180 F207 Y208 H262R180-D182 WeakPolarHBondContact CD-OD2 3.44Å; R180-D182 IonicContact CZ-OD2 3.65Å; R180-D182 IonicContact NE-OD2 3.82Å; R180-D182 PolarHBondContact NE-OD2 3.41Å; R180-D182 IonicContact NH2-OD2 2.7Å; D182-F207 VanDerWaalsContact O-CA 3.22Å; D182-F207 WeakPolarHBondContact O-CA 3.23Å; D182-F207 WeakPolarHBondContact O-CB 3.46Å; D182-Y208 PolarHBondContact N-O 3Å; D182-Y208 PolarHBondContact O-N 3.14Å; D182-Y208 VanDerWaalsContact O-N 3.13Å; D182-H262 PolarHBondContact O-CE1 3.3Å
183A98.2Very high95.7Very high45 Ų4564.5 Ų64.537%0.37234%0.338SS..  trans-67.1142.1179.600000111.5K185 L265A183-K185 PolarHBondContact O-N 2.94Å; A183-L265 HydrophobicContact CB-CD2 4Å
184P98.4Very high95.5Very high9 Ų964.5 Ų64.56%0.05834%0.343CS..  trans-64131.5179.326.6-35.1000111.6T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.07Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.19Å; P184-A204 HydrophobicContact CB-CB 3.87Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 4.01Å; P184-F207 HydrophobicContact CB-CG 4.2Å; P184-I212 HydrophobicContact CB-CD1 3.96Å; P184-I212 HydrophobicContact CG-CD1 4.04Å; P184-V260 HydrophobicContact CG-CG1 3.95Å; P184-H262 HydrophobicContact CG-CB 3.98Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CD2 4.38Å; P184-L265 HydrophobicContact CG-CG 4.19Å
185K98.4Very high95.2Very high145 Ų14571.8 Ų71.863%0.6338%0.381SS*.EExtended strand (participates in β ladder)trans-78109164-65.5175.9-174.1168.90107.7A183 L205A183-K185 PolarHBondContact O-N 2.94Å; K185-L205 PolarHBondContact N-O 3.32Å; K185-L205 PolarHBondContact O-N 2.61Å
186T98.1Very high95.1Very high36 Ų3673.6 Ų73.622%0.22139%0.391CS..EExtended strand (participates in β ladder)trans-104.3142.6-175.358.30000111.9P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.07Å; P184-T186 HydrophobicContact CG-CG2 4.28Å; P184-T186 PolarHBondContact O-N 3.19Å; T186-W203 WeakPolarHBondContact CA-O 3.3Å; T186-W203 WeakPolarHBondContact CB-O 3.34Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; T186-V260 HydrophobicContact CG2-CB 4.37Å; T186-V260 HydrophobicContact CG2-CG1 4.1Å; T186-V260 HydrophobicContact CG2-CG2 4.01Å; T186-L269 HydrophobicContact CG2-CD1 4.24Å; T186-L271 HydrophobicContact CG2-CD1 4.2Å
187H96.3Very high95.3Very high80 Ų8069.4 Ų69.437%0.3737%0.371SS..EExtended strand (participates in β ladder)trans-154.6165.4170.669.2-78.7000109.9W203H187-W203 AromaticContact CD2-CD1 3.97Å; H187-W203 WeakPolarHBondContact CE1-CB 3.37Å; H187-W203 AromaticContact CE1-CD1 3.79Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 2.84Å; H187-W203 AromaticContact NE2-CD1 3.42Å; H187-W203 AromaticContact NE2-CG 3.65Å; H187-W203 PolarHBondContact O-N 3.17Å
188M96.6Very high95.4Very high34 Ų3467.4 Ų67.417%0.16736%0.359CS..EExtended strand (participates in β ladder)trans-116.4144.3177.2-76-17746.800111L200 R201 W216 L271 W273M188-L200 HydrophobicContact CE-CD1 4.41Å; M188-R201 WeakPolarHBondContact CA-O 3.23Å; M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 VanDerWaalsContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.39Å; M188-W216 HydrophobicContact CE-CZ3 4.3Å; M188-W216 HydrophobicContact SD-CH2 4.06Å; M188-L271 HydrophobicContact CG-CB 4.34Å; M188-L271 HydrophobicContact SD-CB 3.75Å; M188-W273 HydrophobicContact CE-CB 3.56Å
189T96.9Very high95.6Very high34 Ų3468.3 Ų68.321%0.20936%0.364CS..EExtended strand (participates in β ladder)trans-122.5141.3173.551.60000109R201 W203T189-R201 PolarHBondContact N-O 3.48Å; T189-R201 PolarHBondContact O-N 3.36Å; T189-R201 WeakPolarHBondContact OG1-CB 3.46Å; T189-R201 PolarHBondContact OG1-O 2.82Å; T189-W203 PolarHBondContact OG1-NE1 2.04Å
190H96.7Very high95.8Very high60 Ų6064.9 Ų64.928%0.27835%0.349SS..EExtended strand (participates in β ladder)trans-119.6126.8178.4166.4-79.8000108.5A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.33Å; H190-T199 WeakPolarHBondContact CA-O 3.38Å; H190-L200 HydrophobicContact CB-CD2 4.08Å; H190-W273 HydrophobicContact CB-CD2 4.13Å; H190-W273 HydrophobicContact CB-CG 4.3Å; H190-W273 HydrophobicContact CB-CZ2 3.94Å; H190-W273 AromaticContact CD2-CE2 3.96Å; H190-W273 AromaticContact CD2-CH2 3.91Å; H190-W273 AromaticContact CD2-CZ2 3.87Å; H190-W273 AromaticContact CG-CE2 3.73Å; H190-W273 AromaticContact CG-CZ2 3.66Å; H190-W273 AromaticContact ND1-CZ2 3.98Å
191H95Very high96Very high92 Ų9263.6 Ų63.643%0.42634%0.343SS..EExtended strand (participates in β ladder)trans-128.1113.9178.2-60.3-74.9000109.4V193 A198 T199 R201H191-V193 PolarHBondContact O-N 2.71Å; H191-A198 CarbonylContact O-C 3.49Å; H191-A198 VanDerWaalsContact O-CA 3.27Å; H191-A198 WeakPolarHBondContact O-CA 3.5Å; H191-T199 PolarHBondContact N-O 2.89Å; H191-T199 PolarHBondContact O-N 2.93Å; H191-R201 PolarHBondContact CD2-NH1 2.95Å; H191-R201 PolarHBondContact NE2-NH1 3.14Å
192A92.8Very high96.2Very high80 Ų8060.7 Ų60.766%0.66133%0.326SS*.EExtended strand (participates in β ladder)trans-65127172.500000109.5
193V91.4Very high96.2Very high93 Ų9360.5 Ų60.556%0.56432%0.321SS*.  trans-99.6-39.8177.3-179.30000109.8H191 E197 T199H191-V193 PolarHBondContact O-N 2.71Å; V193-E197 PolarHBondContact N-O 2.89Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.44Å
194S93.1Very high96.3Very high50 Ų5058.3 Ų58.335%0.3530%0.304SS..SBendtrans-149.7-178.9174.671.30000110.4H196 E197S194-H196 PolarHBondContact O-N 2.86Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.14Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact N-O 3.08Å; S194-E197 PolarHBondContact O-N 2.74Å; S194-E197 VanDerWaalsContact O-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.7Å
195D90.9Very high96.3Very high155 Ų15560.2 Ų60.283%0.82931%0.313SS*.SBendtrans-65.3-10.6172.5-64.9-21.2000113.4
196H94Very high96.2Very high148 Ų14855.2 Ų55.269%0.68530%0.296SS*.SBendtrans-115.2-15.4-176.1-56.2-43.1000113.4S194 P249 S250S194-H196 PolarHBondContact O-N 2.86Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.14Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.3Å; H196-S250 PolarHBondContact O-N 2.89Å; H196-S250 PolarHBondContact O-OG 2.88Å
197E95.9Very high96.3Very high92 Ų9253.5 Ų53.543%0.4329%0.286SS..EExtended strand (participates in β ladder)trans-143.2144.5-170.5-66.3-178158.400112.7V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.89Å; S194-E197 PolarHBondContact N-O 2.86Å; S194-E197 VanDerWaalsContact N-O 3.08Å; S194-E197 PolarHBondContact O-N 2.74Å; S194-E197 VanDerWaalsContact O-O 3.09Å; S194-E197 PolarHBondContact OG-N 2.7Å; E197-V247 HydrophobicContact CB-CG1 4.01Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; E197-V248 WeakPolarHBondContact CA-O 3.13Å; E197-S250 PolarHBondContact N-OG 2.96Å
198A96.7Very high96.3Very high1 Ų150 Ų501%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-132.5152.9170.600000110.8H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.33Å; H191-A198 CarbonylContact O-C 3.49Å; H191-A198 VanDerWaalsContact O-CA 3.27Å; H191-A198 WeakPolarHBondContact O-CA 3.5Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å; A198-V248 HydrophobicContact CB-CG2 4.45Å; A198-V248 PolarHBondContact N-O 3.18Å; A198-V248 WeakPolarHBondContact O-CG2 3.48Å; A198-V248 PolarHBondContact O-N 3.48Å
199T97.9Very high96.4Very high21 Ų2149.2 Ų49.213%0.12927%0.267CS..EExtended strand (participates in β ladder)trans-93.2122168-550000109.2H190 H191 V193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.38Å; H191-T199 PolarHBondContact N-O 2.89Å; H191-T199 PolarHBondContact O-N 2.93Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.44Å; T199-A245 HydrophobicContact CG2-CB 3.9Å; T199-V246 WeakPolarHBondContact CA-O 3.2Å
200L98.3Very high96.4Very high0 Ų048.5 Ų48.50%027%0.265CS..EExtended strand (participates in β ladder)trans-94.2124.7163.9-62.6-177.6000108.5M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CD1 4.41Å; H190-L200 HydrophobicContact CB-CD2 4.08Å; L200-W216 HydrophobicContact CB-CH2 3.64Å; L200-W216 HydrophobicContact CB-CZ2 3.82Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; L200-A245 CarbonylContact O-C 3.52Å; L200-A245 WeakPolarHBondContact O-CA 3.31Å; L200-V246 HydrophobicContact CB-CG2 4.25Å; L200-V246 PolarHBondContact N-O 3.37Å; L200-V246 PolarHBondContact O-N 3.14Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 3.99Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; L200-E253 HydrophobicContact CD1-CB 4.09Å; L200-E253 HydrophobicContact CD1-CG 4.43Å; L200-E253 HydrophobicContact CD2-CB 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.26Å; L200-W273 HydrophobicContact CD2-CB 4.06Å; L200-W273 HydrophobicContact CD2-CD2 4.47Å; L200-W273 HydrophobicContact CD2-CG 4.13Å
201R98.4Very high96.5Very high49 Ų4952.6 Ų52.619%0.18528%0.284CS..EExtended strand (participates in β ladder)trans-121.6122.2176-179.8-176.6-60.4112.1-0.1110.3M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.23Å; T189-R201 PolarHBondContact N-O 3.48Å; T189-R201 PolarHBondContact O-N 3.36Å; T189-R201 WeakPolarHBondContact OG1-CB 3.46Å; T189-R201 PolarHBondContact OG1-O 2.82Å; H191-R201 PolarHBondContact CD2-NH1 2.95Å; H191-R201 PolarHBondContact NE2-NH1 3.14Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.92Å; R201-W243 HydrophobicContact CG-CG 4.23Å; R201-A244 WeakPolarHBondContact CA-O 3.31Å; R201-A245 HydrophobicContact CB-CB 3.96Å; R201-A245 HydrophobicContact CG-CB 4.12Å
202C98.4Very high96.7Very high0 Ų048.8 Ų48.80%027%0.266CS..EExtended strand (participates in β ladder)trans-95.1123.3175.8-175.30000109.4W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.72Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.46Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; C202-A244 PolarHBondContact N-O 3.32Å; C202-A244 PolarHBondContact O-N 3.3Å; C202-C258 HydrophobicContact CB-CB 3.47Å; C202-C258 VanDerWaalsContact CB-CB 3.47Å; C202-C258 WeakPolarHBondContact CB-SG 3.29Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.38Å
203W98.6Very high96.9Very high46 Ų4647.6 Ų47.617%0.17425%0.251CS..EExtended strand (participates in β ladder)trans-106.1141.8-179.4-70.390.6000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.3Å; T186-W203 WeakPolarHBondContact CB-O 3.34Å; H187-W203 AromaticContact CD2-CD1 3.97Å; H187-W203 WeakPolarHBondContact CE1-CB 3.37Å; H187-W203 AromaticContact CE1-CD1 3.79Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 2.84Å; H187-W203 AromaticContact NE2-CD1 3.42Å; H187-W203 AromaticContact NE2-CG 3.65Å; H187-W203 PolarHBondContact O-N 3.17Å; T189-W203 PolarHBondContact OG1-NE1 2.04Å; R201-W203 VanDerWaalsContact CD-NE1 3.34Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; W203-L205 HydrophobicContact CE3-CD2 3.92Å; W203-L205 HydrophobicContact CZ3-CD2 4.47Å; W203-W243 HydrophobicContact CD2-CB 3.88Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.8Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.15Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.51Å; W203-W243 HydrophobicContact CH2-CG 4.15Å; W203-W243 AromaticContact CH2-NE1 3.97Å; W203-W243 HydrophobicContact CZ2-CG 4.41Å; W203-W243 HydrophobicContact CZ3-CB 4.19Å; W203-W243 AromaticContact CZ3-CD1 3.33Å; W203-W243 HydrophobicContact CZ3-CG 4.02Å
204A98.7Very high97.3Very high0 Ų043.5 Ų43.50%023%0.226CC..EExtended strand (participates in β ladder)trans-124.3122.2162.400000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.87Å; T186-A204 HydrophobicContact CG2-CB 4.41Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.45Å; A204-I212 HydrophobicContact CB-CD1 3.6Å; A204-L214 HydrophobicContact CB-CD1 3.97Å; A204-L214 HydrophobicContact CB-CD2 4.14Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.34Å; A204-K242 PolarHBondContact N-O 2.88Å; A204-K242 PolarHBondContact O-N 2.93Å; A204-K242 VanDerWaalsContact O-O 3.1Å
205L98.6Very high97.5Very high48 Ų4843 Ų4325%0.25122%0.221SC..EExtended strand (participates in β ladder)trans-127.3155-176.1-59.8179.1000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.32Å; K185-L205 PolarHBondContact O-N 2.61Å; W203-L205 HydrophobicContact CE3-CD2 3.92Å; W203-L205 HydrophobicContact CZ3-CD2 4.47Å; L205-F207 VanDerWaalsContact C-N 3.3Å; L205-F207 PolarHBondContact O-N 2.84Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å
206S97.9Very high97.9Very high41 Ų4135.7 Ų35.729%0.28718%0.182SC..EExtended strand (participates in β ladder)trans55.740.6170.8-54.80000113.9T239 F240S206-T239 WeakPolarHBondContact CA-OG1 3.48Å; S206-F240 PolarHBondContact N-O 2.85Å
207F98.5Very high98.1Very high0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-105.1154.5176.760.6-89000112.3D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.22Å; D182-F207 WeakPolarHBondContact O-CA 3.23Å; D182-F207 WeakPolarHBondContact O-CB 3.46Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 4.01Å; P184-F207 HydrophobicContact CB-CG 4.2Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.89Å; A204-F207 WeakPolarHBondContact O-CE1 3.45Å; L205-F207 VanDerWaalsContact C-N 3.3Å; L205-F207 PolarHBondContact O-N 2.84Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.37Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CG2 4.48Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.38Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.54Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; F207-I212 VanDerWaalsContact CZ-CG2 3.5Å; F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.83Å; F207-T239 CarbonylContact O-C 3.56Å; F207-T239 WeakPolarHBondContact O-CA 3.36Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.06Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 WeakPolarHBondContact CE1-O 3.36Å; 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 3.6Å; F207-F240 PolarHBondContact N-O 2.84Å; F207-F240 PolarHBondContact O-N 3.33Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.74Å
208Y98.1Very high98.2Very high5 Ų529.6 Ų29.62%0.0215%0.151CC..BIsolated β-bridgetrans-150.8135.9173.4178.6-85.7000108.1D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 3.86Å; T30-Y208 PolarHBondContact OG1-OH 2.03Å; T30-Y208 VanDerWaalsContact OG1-OH 3.08Å; R180-Y208 HydrophobicContact CG-CD1 4.16Å; R180-Y208 WeakPolarHBondContact O-CD1 2.99Å; T181-Y208 WeakPolarHBondContact CA-O 3.5Å; T181-Y208 WeakPolarHBondContact CG2-O 3.37Å; D182-Y208 PolarHBondContact N-O 3Å; D182-Y208 PolarHBondContact O-N 3.14Å; D182-Y208 VanDerWaalsContact O-N 3.13Å; Y208-G238 WeakPolarHBondContact CD2-O 3.19Å; Y208-F240 HydrophobicContact CD2-CD2 4.46Å; Y208-F240 AromaticContact CD2-CE2 4Å; Y208-F240 HydrophobicContact CD2-CE2 4Å; Y208-F240 HydrophobicContact CE2-CE2 4.46Å; Y208-H262 PolarHBondContact O-CE1 2.82Å
209P97.5Very high98.2Very high19 Ų1934.1 Ų34.112%0.12318%0.175CC..SBendcis-72.7-177.3230.8-36.8000113.7D29 F207 E211 H262 E263D29-P209 WeakPolarHBondContact OD2-CB 3.2Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.37Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 3.45Å; P209-H262 PolarHBondContact O-NE2 3.16Å; P209-E263 WeakPolarHBondContact CD-OE1 3.49Å; P209-E263 VanDerWaalsContact CG-CD 3.48Å; P209-E263 HydrophobicContact CG-CG 3.84Å; P209-E263 WeakPolarHBondContact CG-OE1 3.23Å
210A97.9Very high98Very high19 Ų1935.4 Ų35.416%0.15719%0.192CC..SBendtrans-70.6-22.7-175.800000114D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.4Å; D29-A210 PolarHBondContact OD2-N 3.49Å; A210-I212 PolarHBondContact O-N 3.01Å; A210-T232 HydrophobicContact CB-CG2 4.32Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.82Å; A210-F240 HydrophobicContact CB-CZ 3.67Å
211E98.1Very high98Very high146 Ų14642.4 Ų42.468%0.68222%0.224SC*.  trans-67.6116.2-177.9-172.460.2-150.800110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 3.45Å; E211-H262 PolarHBondContact O-CD2 2.68Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å
212I98.5Very high97.9Very high12 Ų1244.5 Ų44.56%0.06224%0.239CC..  trans-152.3144-178.7-163.4170.9000110.1P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 3.96Å; P184-I212 HydrophobicContact CG-CD1 4.04Å; A204-I212 HydrophobicContact CB-CD1 3.6Å; F207-I212 HydrophobicContact CD1-CD1 3.86Å; F207-I212 HydrophobicContact CD2-CB 4.24Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CG2 4.48Å; F207-I212 HydrophobicContact CE1-CD1 3.79Å; F207-I212 HydrophobicContact CE1-CG2 4.38Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.54Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; F207-I212 VanDerWaalsContact CZ-CG2 3.5Å; A210-I212 PolarHBondContact O-N 3.01Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.66Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 4.1Å; I212-K242 HydrophobicContact CG2-CB 4.28Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.36Å; I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; I212-H262 HydrophobicContact CD1-CB 4.36Å; I212-H262 HydrophobicContact CG1-CB 4.12Å
213T98.4Very high97.8Very high55 Ų5545.8 Ų45.834%0.33725%0.246SC..EExtended strand (participates in β ladder)trans-115121.8174.5-56.80000109.9T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.99Å; T213-V260 WeakPolarHBondContact O-CA 3.37Å; T213-Q261 PolarHBondContact N-O 2.97Å; T213-Q261 PolarHBondContact O-N 2.7Å
214L98.4Very high97.6Very high7 Ų748.9 Ų48.94%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-117.2120.6171.2-8562000108.1A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.97Å; A204-L214 HydrophobicContact CB-CD2 4.14Å; I212-L214 HydrophobicContact CB-CD1 4.46Å; I212-L214 HydrophobicContact CD1-CD1 3.66Å; I212-L214 HydrophobicContact CG1-CD1 3.63Å; I212-L214 HydrophobicContact CG2-CD1 4.1Å; L214-L229 HydrophobicContact CB-CD1 4.24Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CD 4.5Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L214-A244 HydrophobicContact CB-CB 4Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; L214-H259 WeakPolarHBondContact CA-O 3.48Å; L214-V260 HydrophobicContact CD1-CG1 4.12Å; L214-V260 HydrophobicContact CG-CG2 4.36Å
215T98.3Very high97.5Very high40 Ų4058 Ų5825%0.24531%0.312CS..EExtended strand (participates in β ladder)trans-130.2149.1175.457.60000111.4T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.99Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.36Å; T215-H259 PolarHBondContact N-O 3.08Å; T215-H259 PolarHBondContact O-N 2.89Å
216W98.4Very high97.2Very high1 Ų161.2 Ų61.20%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-103.8136.3169.9-83.3104.6000110M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.5Å; M188-W216 VanDerWaalsContact CE-CH2 3.5Å; M188-W216 HydrophobicContact CE-CZ2 4.39Å; M188-W216 HydrophobicContact CE-CZ3 4.3Å; M188-W216 HydrophobicContact SD-CH2 4.06Å; L200-W216 HydrophobicContact CB-CH2 3.64Å; L200-W216 HydrophobicContact CB-CZ2 3.82Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; W216-Q223 HydrophobicContact CB-CB 4.26Å; W216-Q223 PolarHBondContact O-N 3.33Å; W216-A244 PolarHBondContact NE1-O 3.25Å; W216-V246 HydrophobicContact CB-CG1 3.69Å; W216-V246 HydrophobicContact CB-CG2 4.46Å; W216-V246 HydrophobicContact CD2-CG1 4.29Å; W216-V246 HydrophobicContact CD2-CG2 3.6Å; W216-V246 HydrophobicContact CE3-CG2 3.95Å; W216-V246 HydrophobicContact CG-CB 4.38Å; W216-V246 HydrophobicContact CG-CG1 3.61Å; W216-V246 HydrophobicContact CG-CG2 3.85Å; W216-V246 HydrophobicContact CH2-CG2 4.48Å; W216-V246 HydrophobicContact CZ2-CG2 4.21Å; W216-V246 HydrophobicContact CZ3-CG2 4.39Å; W216-T257 WeakPolarHBondContact CA-O 3.35Å; W216-T257 VanDerWaalsContact CE3-O 3.32Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.06Å; W216-C258 HydrophobicContact CZ2-CB 4.07Å; W216-C258 HydrophobicContact CZ3-CB 4.09Å
217Q98.4Very high97.2Very high41 Ų4160.5 Ų60.519%0.19232%0.323CS..EExtended strand (participates in β ladder)trans-119.5145.8170.3-70.2-174.1-8.900110.3E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 WeakPolarHBondContact CA-O 3.43Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.42Å; Q217-D222 PolarHBondContact NE2-OD1 3.46Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 WeakPolarHBondContact O-CA 3.26Å; Q217-T257 PolarHBondContact N-O 3.09Å; Q217-T257 PolarHBondContact O-N 3.08Å; Q217-H259 PolarHBondContact OE1-NE2 3.11Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å
218R98Very high97.2Very high71 Ų7165.9 Ų65.927%0.26835%0.349SS..EExtended strand (participates in β ladder)trans-117.6118168-177.3-172.8-179.41700.5108G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.16Å; R218-E221 PolarHBondContact N-O 3.03Å; R218-E221 PolarHBondContact O-N 3.47Å; R218-Q223 HydrophobicContact CB-CG 3.93Å; R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.46Å; R218-Y256 HydrophobicContact CB-CD1 3.98Å; R218-Y256 HydrophobicContact CB-CE1 3.76Å; R218-Y256 WeakPolarHBondContact CD-OH 3.46Å; R218-Y256 HydrophobicContact CG-CD1 4.32Å; R218-Y256 HydrophobicContact CG-CE1 3.89Å; R218-Y256 HydrophobicContact CG-CE2 4.21Å; R218-Y256 PolarHBondContact NH1-OH 2.84Å
219D96.7Very high97.2Very high96 Ų9669.9 Ų69.951%0.51337%0.37SS..THydrogen-bonded Turntrans51.228.5-175.2-49.3-60.2000114R255D219-R255 PolarHBondContact N-O 3.14Å; D219-R255 WeakPolarHBondContact OD1-CB 3.22Å; D219-R255 WeakPolarHBondContact OD1-CG 3.42Å; D219-R255 IonicContact OD1-CZ 3.97Å; D219-R255 IonicContact OD1-NE 3.08Å; D219-R255 PolarHBondContact OD1-NE 3.36Å; D219-R255 VanDerWaalsContact OD1-NE 3.08Å; D219-R255 IonicContact OD2-CZ 3.09Å; D219-R255 IonicContact OD2-NE 2.85Å; D219-R255 PolarHBondContact OD2-NE 3.02Å; D219-R255 IonicContact OD2-NH2 2.6Å; D219-R255 PolarHBondContact OD2-NH2 2.85Å
220G94.1Very high97.2Very high48 Ų4870.5 Ų70.550%0.49537%0.373SS..THydrogen-bonded Turntrans93.3-2.5-17800000115.6R218R218-G220 PolarHBondContact O-N 3.16Å
221E97.4Very high97.2Very high146 Ų14677.9 Ų77.968%0.68241%0.405SS*.EExtended strand (participates in β ladder)trans-99.3129.2177.7-63.6-173.817300112.1Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.53Å; Q217-E221 WeakPolarHBondContact CA-O 3.43Å; R218-E221 PolarHBondContact N-O 3.03Å; R218-E221 PolarHBondContact O-N 3.47Å; E221-Q223 PolarHBondContact O-NE2 3.23Å
222D97.3Very high97.2Very high93 Ų9373.1 Ų73.150%0.49739%0.385SS..EExtended strand (participates in β ladder)trans-62.7133.7-179.1-70.8-19000112.4Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.42Å; Q217-D222 PolarHBondContact NE2-OD1 3.46Å
223Q97.2Very high97.2Very high28 Ų2877.2 Ų77.213%0.13140%0.4CS..  trans-103.440.3-176.7-57.4-60.7-73.600112.2W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.26Å; W216-Q223 PolarHBondContact O-N 3.33Å; R218-Q223 HydrophobicContact CB-CG 3.93Å; E221-Q223 PolarHBondContact O-NE2 3.23Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.97Å; Q223-D226 PolarHBondContact O-N 3.27Å; Q223-D226 VanDerWaalsContact O-N 3.15Å; Q223-T227 WeakPolarHBondContact O-CB 3.48Å; Q223-T227 PolarHBondContact O-N 3.5Å; Q223-T227 PolarHBondContact O-OG1 3.3Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; Q223-Y256 HydrophobicContact CG-CE1 4.48Å
224T94.4Very high97.2Very high110 Ų11079 Ų7968%0.67541%0.412SS*.THydrogen-bonded Turntrans-59-35.3-169.5-52.20000114
225Q95Very high97.1Very high192 Ų19281 Ų8190%0.89743%0.43SS*.THydrogen-bonded Turntrans-76.6-29.8-179.9-66.6-173.6-2.500113.1Q223Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.97Å
226D93.8Very high97Very high115 Ų11582.8 Ų82.862%0.61546%0.457SS*.THydrogen-bonded Turntrans-96.6-1.6-176.7-56.1-57.6000112.6Q223Q223-D226 PolarHBondContact O-N 3.27Å; Q223-D226 VanDerWaalsContact O-N 3.15Å
227T97.5Very high96.8Very high26 Ų2687.8 Ų87.816%0.1648%0.484CS..EExtended strand (participates in β ladder)trans-91119.2179.5-62.20000110.7Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.48Å; Q223-T227 PolarHBondContact O-N 3.5Å; Q223-T227 PolarHBondContact O-OG1 3.3Å; T227-L229 HydrophobicContact CG2-CB 4.36Å; T227-L229 PolarHBondContact O-N 3.45Å; T227-A244 HydrophobicContact CG2-CB 3.91Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.23Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.47Å
228E97.9Very high96.5Very high114 Ų11487.8 Ų87.853%0.53350%0.495SS..EExtended strand (participates in β ladder)trans-75.9110.7162.6-173.1-174.7-170.200108.8W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.18Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.48Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.22Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.47Å; E228-A245 HydrophobicContact CB-CB 4.44Å; E228-A245 PolarHBondContact N-O 3.24Å; E228-A245 PolarHBondContact O-N 3.35Å
229L97.9Very high96.5Very high88 Ų8885 Ų8546%0.46149%0.486SS..EExtended strand (participates in β ladder)trans-117.9119.3-179.1-172.468.7000110.1L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.24Å; T227-L229 HydrophobicContact CG2-CB 4.36Å; T227-L229 PolarHBondContact O-N 3.45Å; L229-K242 HydrophobicContact CD1-CD 4.48Å; L229-A244 HydrophobicContact CD1-CB 3.6Å
230V97.8Very high96.6Very high33 Ų3381.8 Ų81.820%0.247%0.467CS..PPolyproline II helixtrans-82.6153.6175.1-65.60000112.1K242 W243V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.4Å; V230-K242 PolarHBondContact O-NZ 2.98Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.19Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.45Å; V230-W243 WeakPolarHBondContact CG2-O 3.14Å; V230-W243 PolarHBondContact N-O 3.37Å
231E97.8Very high96.8Very high174 Ų17481.7 Ų81.781%0.81345%0.454SS*.PPolyproline II helixtrans-56.4145.9166.5-67.9-173.3171.900110.9R233E231-R233 PolarHBondContact O-N 2.86Å
232T98.5Very high96.9Very high45 Ų4575.7 Ų75.728%0.27643%0.426SS..PPolyproline II helixtrans-66128.6172.4-57.40000108.2F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.83Å; A210-T232 HydrophobicContact CB-CG2 4.32Å; T232-F240 HydrophobicContact CG2-CB 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; T232-K242 WeakPolarHBondContact OG1-CD 3.38Å; T232-K242 PolarHBondContact OG1-NZ 3.14Å
233R98.2Very high96.9Very high98 Ų9872.4 Ų72.437%0.3741%0.406SS..EExtended strand (participates in β ladder)trans-126.5145-173.767.6-170.3-177.8-1671.6111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 2.86Å; R233-F240 WeakPolarHBondContact O-CA 3.04Å; R233-Q241 HydrophobicContact CG-CG 3.54Å; R233-Q241 PolarHBondContact N-O 3.11Å; R233-Q241 WeakPolarHBondContact O-CG 3.49Å; R233-Q241 PolarHBondContact O-N 3.15Å
234P97.8Very high97Very high92 Ų9271.1 Ų71.160%0.59740%0.4SS*.EExtended strand (participates in β ladder)trans-68.9145178.928.9-34.8000111.1F240P234-F240 HydrophobicContact CB-CE1 4.35Å
235A97.3Very high97.2Very high49 Ų4966 Ų6641%0.40537%0.369SS..  trans-88.4-16.917300000112.9D237 T239A235-D237 WeakPolarHBondContact CB-OD1 3.46Å; A235-T239 PolarHBondContact N-O 2.93Å
236G94.9Very high97.3Very high79 Ų7957 Ų5781%0.81433%0.327SS*.SBendtrans95.6-6.5179.100000114.9
237D94.2Very high97.5Very high105 Ų10555.4 Ų55.456%0.56132%0.321SS*.SBendtrans-106.113.217761.70.2000112.9A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.46Å; D237-T239 WeakPolarHBondContact OD1-CB 3.14Å; D237-T239 PolarHBondContact OD1-N 3.17Å; D237-T239 PolarHBondContact OD1-OG1 3.41Å
238G93.4Very high97.5Very high41 Ų4154.2 Ų54.242%0.42331%0.314SS..SBendtrans86.23.5-173.600000114.3Y208Y208-G238 WeakPolarHBondContact CD2-O 3.19Å
239T97.8Very high97.5Very high13 Ų1350.8 Ų50.88%0.0830%0.301CS..  trans-108.1173172.373.50000112.4S206 F207 A235 D237S206-T239 WeakPolarHBondContact CA-OG1 3.48Å; F207-T239 CarbonylContact O-C 3.56Å; F207-T239 WeakPolarHBondContact O-CA 3.36Å; A235-T239 PolarHBondContact N-O 2.93Å; D237-T239 WeakPolarHBondContact OD1-CB 3.14Å; D237-T239 PolarHBondContact OD1-N 3.17Å; D237-T239 PolarHBondContact OD1-OG1 3.41Å
240F98.6Very high97.3Very high29 Ų2949.2 Ų49.213%0.12730%0.298CS..EExtended strand (participates in β ladder)trans-120.8162.4-178.1-63.6-86.1000112.2D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.81Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; S206-F240 PolarHBondContact N-O 2.85Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.06Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 WeakPolarHBondContact CE1-O 3.36Å; 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 3.6Å; F207-F240 PolarHBondContact N-O 2.84Å; F207-F240 PolarHBondContact O-N 3.33Å; Y208-F240 HydrophobicContact CD2-CD2 4.46Å; Y208-F240 AromaticContact CD2-CE2 4Å; Y208-F240 HydrophobicContact CD2-CE2 4Å; Y208-F240 HydrophobicContact CE2-CE2 4.46Å; A210-F240 HydrophobicContact CB-CD1 3.77Å; A210-F240 HydrophobicContact CB-CD2 3.76Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.69Å; A210-F240 HydrophobicContact CB-CG 3.82Å; A210-F240 HydrophobicContact CB-CZ 3.67Å; T232-F240 HydrophobicContact CG2-CB 3.8Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; R233-F240 WeakPolarHBondContact O-CA 3.04Å; P234-F240 HydrophobicContact CB-CE1 4.35Å
241Q98.6Very high97.1Very high45 Ų4551 Ų5121%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-140.7147.2173.948.3170.1-29.200110.2A204 L205 R233A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.34Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.54Å; R233-Q241 PolarHBondContact N-O 3.11Å; R233-Q241 WeakPolarHBondContact O-CG 3.49Å; R233-Q241 PolarHBondContact O-N 3.15Å
242K98.8Very high97Very high21 Ų2145.4 Ų45.49%0.09130%0.297CS..EExtended strand (participates in β ladder)trans-151.3154.1177-162.5-176.3-172.169.40109.2A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.88Å; A204-K242 PolarHBondContact O-N 2.93Å; A204-K242 VanDerWaalsContact O-O 3.1Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.13Å; I212-K242 HydrophobicContact CG2-CB 4.28Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CD 4.5Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L229-K242 HydrophobicContact CD1-CD 4.48Å; V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.4Å; V230-K242 PolarHBondContact O-NZ 2.98Å; T232-K242 WeakPolarHBondContact OG1-CD 3.38Å; T232-K242 PolarHBondContact OG1-NZ 3.14Å
243W98.6Very high96.9Very high24 Ų2444.1 Ų44.19%0.09129%0.288CS..EExtended strand (participates in β ladder)trans-142.6156.2168.359.2-97.7000111.5R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.15Å; R201-W243 HydrophobicContact CG-CE3 3.92Å; R201-W243 HydrophobicContact CG-CG 4.23Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.46Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; W203-W243 HydrophobicContact CD2-CB 3.88Å; W203-W243 HydrophobicContact CD2-CG 4.42Å; W203-W243 HydrophobicContact CE3-CB 3.8Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.15Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.51Å; W203-W243 HydrophobicContact CH2-CG 4.15Å; W203-W243 AromaticContact CH2-NE1 3.97Å; W203-W243 HydrophobicContact CZ2-CG 4.41Å; W203-W243 HydrophobicContact CZ3-CB 4.19Å; W203-W243 AromaticContact CZ3-CD1 3.33Å; W203-W243 HydrophobicContact CZ3-CG 4.02Å; E228-W243 HydrophobicContact CB-CZ3 4.18Å; E228-W243 HydrophobicContact CG-CH2 3.85Å; E228-W243 HydrophobicContact CG-CZ3 3.8Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.48Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.22Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.64Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.19Å; V230-W243 HydrophobicContact CG2-CD2 3.81Å; V230-W243 HydrophobicContact CG2-CG 3.76Å; V230-W243 HydrophobicContact CG2-CZ2 4.45Å; V230-W243 WeakPolarHBondContact CG2-O 3.14Å; V230-W243 PolarHBondContact N-O 3.37Å; W243-A245 HydrophobicContact CE3-CB 3.95Å; W243-A245 HydrophobicContact CZ3-CB 3.68Å
244A98.5Very high96.8Very high0 Ų044.7 Ų44.70%029%0.294CS..EExtended strand (participates in β ladder)trans-129.2133173.800000108.5R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.31Å; C202-A244 PolarHBondContact N-O 3.32Å; C202-A244 PolarHBondContact O-N 3.3Å; L214-A244 HydrophobicContact CB-CB 4Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; W216-A244 PolarHBondContact NE1-O 3.25Å; T227-A244 HydrophobicContact CG2-CB 3.91Å; E228-A244 CarbonylContact O-C 3.58Å; E228-A244 WeakPolarHBondContact O-CA 3.47Å; L229-A244 HydrophobicContact CD1-CB 3.6Å
245A98.3Very high96.8Very high2 Ų245.2 Ų45.22%0.01728%0.284CS..EExtended strand (participates in β ladder)trans-127.3146.4-179.800000112.1T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.9Å; L200-A245 CarbonylContact O-C 3.52Å; L200-A245 WeakPolarHBondContact O-CA 3.31Å; R201-A245 HydrophobicContact CB-CB 3.96Å; R201-A245 HydrophobicContact CG-CB 4.12Å; T227-A245 CarbonylContact C-O 3.55Å; T227-A245 WeakPolarHBondContact CA-O 3.23Å; E228-A245 HydrophobicContact CB-CB 4.44Å; E228-A245 PolarHBondContact N-O 3.24Å; E228-A245 PolarHBondContact O-N 3.35Å; W243-A245 HydrophobicContact CE3-CB 3.95Å; W243-A245 HydrophobicContact CZ3-CB 3.68Å
246V98.1Very high96.9Very high5 Ų543.2 Ų43.23%0.0327%0.267CS..EExtended strand (participates in β ladder)trans-131.9144.3172.9-73.20000109.3T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.2Å; L200-V246 HydrophobicContact CB-CG2 4.25Å; L200-V246 PolarHBondContact N-O 3.37Å; L200-V246 PolarHBondContact O-N 3.14Å; W216-V246 HydrophobicContact CB-CG1 3.69Å; W216-V246 HydrophobicContact CB-CG2 4.46Å; W216-V246 HydrophobicContact CD2-CG1 4.29Å; W216-V246 HydrophobicContact CD2-CG2 3.6Å; W216-V246 HydrophobicContact CE3-CG2 3.95Å; W216-V246 HydrophobicContact CG-CB 4.38Å; W216-V246 HydrophobicContact CG-CG1 3.61Å; W216-V246 HydrophobicContact CG-CG2 3.85Å; W216-V246 HydrophobicContact CH2-CG2 4.48Å; W216-V246 HydrophobicContact CZ2-CG2 4.21Å; W216-V246 HydrophobicContact CZ3-CG2 4.39Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.47Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4.12Å
247V97.8Very high97Very high81 Ų8139.9 Ų39.949%0.49123%0.23SC..EExtended strand (participates in β ladder)trans-86.7127.3168.5-178.50000107.7E197 A198E197-V247 HydrophobicContact CB-CG1 4.01Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; A198-V247 WeakPolarHBondContact O-CA 3.39Å
248V97.1Very high97.2Very high0 Ų034.9 Ų34.90%020%0.203CC..EExtended strand (participates in β ladder)trans-126145.2-175.6-52.30000110.4E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.13Å; A198-V248 HydrophobicContact CB-CG2 4.45Å; A198-V248 PolarHBondContact N-O 3.18Å; A198-V248 WeakPolarHBondContact O-CG2 3.48Å; A198-V248 PolarHBondContact O-N 3.48Å; L200-V248 HydrophobicContact CD1-CG1 4.01Å; L200-V248 HydrophobicContact CD1-CG2 3.99Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 4Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.63Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.57Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.5Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.5Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å
249P97Very high97.5Very high42 Ų4234.5 Ų34.527%0.27319%0.191SC..EExtended strand (participates in β ladder)trans-64.1138.7171-20.232.2000111.1H196 G251 Q252H196-P249 CarbonylContact O-C 3.58Å; H196-P249 VanDerWaalsContact O-CA 3.31Å; H196-P249 WeakPolarHBondContact O-CA 3.3Å; P249-G251 PolarHBondContact O-N 3.04Å; P249-Q252 HydrophobicContact CB-CB 4.41Å; P249-Q252 HydrophobicContact CB-CG 4.16Å; P249-Q252 WeakPolarHBondContact O-CB 3.45Å; P249-Q252 PolarHBondContact O-N 3.4Å
250S94.1Very high97.5Very high55 Ų5533.9 Ų33.939%0.38519%0.187SC..THydrogen-bonded Turntrans-56.5132.3176.7-59.90000111.3H196 E197 Q252 E253H196-S250 PolarHBondContact O-N 2.89Å; H196-S250 PolarHBondContact O-OG 2.88Å; E197-S250 PolarHBondContact N-OG 2.96Å; S250-Q252 VanDerWaalsContact C-N 3.33Å; S250-E253 WeakPolarHBondContact CA-OE1 3.45Å
251G94Very high97.5Very high70 Ų7037.5 Ų37.572%0.72220%0.204SC*.THydrogen-bonded Turntrans84.7-1.2-176.600000114.8P249 E253P249-G251 PolarHBondContact O-N 3.04Å; G251-E253 WeakPolarHBondContact CA-OE2 3.26Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.44Å; G251-E253 PolarHBondContact N-OE2 2.85Å
252Q96.4Very high97.5Very high57 Ų5736 Ų3627%0.26620%0.197SC..  trans-106.17.2175.3-61-168.336.500113.5P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.41Å; P249-Q252 HydrophobicContact CB-CG 4.16Å; P249-Q252 WeakPolarHBondContact O-CB 3.45Å; P249-Q252 PolarHBondContact O-N 3.4Å; S250-Q252 VanDerWaalsContact C-N 3.33Å; Q252-Q254 PolarHBondContact O-N 3.13Å; Q252-Q254 VanDerWaalsContact O-N 3.17Å; Q252-R255 WeakPolarHBondContact O-CB 3.49Å; Q252-R255 PolarHBondContact O-N 2.9Å; Q252-Y256 HydrophobicContact CB-CE2 4.37Å; Q252-Y256 VanDerWaalsContact O-CD2 3.29Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.48Å
253E96Very high97.4Very high19 Ų1941.1 Ų41.19%0.08922%0.221CC..G310 helixtrans-57.3-37-172.3-58.981.1-177.300112.1L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.09Å; L200-E253 HydrophobicContact CD1-CG 4.43Å; L200-E253 HydrophobicContact CD2-CB 4.49Å; L200-E253 HydrophobicContact CD2-CG 4.26Å; V248-E253 HydrophobicContact CG2-CG 4Å; S250-E253 WeakPolarHBondContact CA-OE1 3.45Å; G251-E253 WeakPolarHBondContact CA-OE2 3.26Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.44Å; G251-E253 PolarHBondContact N-OE2 2.85Å; E253-R255 PolarHBondContact O-N 3.23Å; E253-Y256 PolarHBondContact O-N 3.18Å; E253-W273 HydrophobicContact CB-CE3 3.54Å; E253-W273 HydrophobicContact CB-CZ3 4.11Å; E253-W273 HydrophobicContact CG-CE3 3.62Å; E253-W273 HydrophobicContact CG-CZ3 3.79Å
254Q96.4Very high97.3Very high109 Ų10941 Ų4151%0.50923%0.228SC..G310 helixtrans-67.8-16.9-179.7-65-57.8-44.500114.4Q252 W273Q252-Q254 PolarHBondContact O-N 3.13Å; Q252-Q254 VanDerWaalsContact O-N 3.17Å; Q254-W273 PolarHBondContact NE2-O 2.95Å
255R97.6Very high97.2Very high103 Ų10342.2 Ų42.239%0.38923%0.234SC..G310 helixtrans-76.1-16.9173.7-64175.667.21796.1112.2R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.46Å; D219-R255 PolarHBondContact N-O 3.14Å; D219-R255 WeakPolarHBondContact OD1-CB 3.22Å; D219-R255 WeakPolarHBondContact OD1-CG 3.42Å; D219-R255 IonicContact OD1-CZ 3.97Å; D219-R255 IonicContact OD1-NE 3.08Å; D219-R255 PolarHBondContact OD1-NE 3.36Å; D219-R255 VanDerWaalsContact OD1-NE 3.08Å; D219-R255 IonicContact OD2-CZ 3.09Å; D219-R255 IonicContact OD2-NE 2.85Å; D219-R255 PolarHBondContact OD2-NE 3.02Å; D219-R255 IonicContact OD2-NH2 2.6Å; D219-R255 PolarHBondContact OD2-NH2 2.85Å; Q252-R255 WeakPolarHBondContact O-CB 3.49Å; Q252-R255 PolarHBondContact O-N 2.9Å; E253-R255 PolarHBondContact O-N 3.23Å
256Y98.1Very high97.2Very high8 Ų848.7 Ų48.73%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-98.1132.6-177.3-66-97.6000111.1Q217 R218 Q223 V246 V248 Q252 E253Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 WeakPolarHBondContact O-CA 3.26Å; R218-Y256 HydrophobicContact CB-CD1 3.98Å; R218-Y256 HydrophobicContact CB-CE1 3.76Å; R218-Y256 WeakPolarHBondContact CD-OH 3.46Å; R218-Y256 HydrophobicContact CG-CD1 4.32Å; R218-Y256 HydrophobicContact CG-CE1 3.89Å; R218-Y256 HydrophobicContact CG-CE2 4.21Å; R218-Y256 PolarHBondContact NH1-OH 2.84Å; Q223-Y256 HydrophobicContact CG-CE1 4.48Å; V246-Y256 HydrophobicContact CG2-CD1 4.12Å; V248-Y256 HydrophobicContact CB-CD2 3.98Å; V248-Y256 HydrophobicContact CB-CE2 3.63Å; V248-Y256 HydrophobicContact CG1-CD1 3.78Å; V248-Y256 HydrophobicContact CG1-CD2 3.57Å; V248-Y256 HydrophobicContact CG1-CE1 3.7Å; V248-Y256 HydrophobicContact CG1-CE2 3.5Å; V248-Y256 VanDerWaalsContact CG1-CE2 3.5Å; V248-Y256 HydrophobicContact CG1-CG 3.71Å; Q252-Y256 HydrophobicContact CB-CE2 4.37Å; Q252-Y256 VanDerWaalsContact O-CD2 3.29Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.48Å; E253-Y256 PolarHBondContact O-N 3.18Å
257T98.2Very high97.1Very high8 Ų855.6 Ų55.65%0.04931%0.306CS..EExtended strand (participates in β ladder)trans-124.9132.6174.943.80000110.7W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.35Å; W216-T257 VanDerWaalsContact CE3-O 3.32Å; Q217-T257 PolarHBondContact N-O 3.09Å; Q217-T257 PolarHBondContact O-N 3.08Å; T257-H259 WeakPolarHBondContact CB-NE2 2.83Å; T257-H259 PolarHBondContact O-CD2 3.49Å; T257-H259 PolarHBondContact OG1-NE2 3.05Å; T257-T270 HydrophobicContact CG2-CG2 3.84Å; T257-L271 CarbonylContact C-O 3.49Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.43Å; T257-R272 HydrophobicContact CG2-CG 3.53Å
258C98.4Very high97.1Very high0 Ų055.4 Ų55.40%031%0.306CS..EExtended strand (participates in β ladder)trans-90.7130.7167.3175.20000109.6C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.47Å; C202-C258 VanDerWaalsContact CB-CB 3.47Å; C202-C258 WeakPolarHBondContact CB-SG 3.29Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.38Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.36Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.06Å; W216-C258 HydrophobicContact CZ2-CB 4.07Å; W216-C258 HydrophobicContact CZ3-CB 4.09Å; C258-T270 CarbonylContact O-C 3.52Å; C258-T270 WeakPolarHBondContact O-CA 3.42Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.08Å; C258-L271 PolarHBondContact O-N 2.81Å
259H98.4Very high97.2Very high34 Ų3457.9 Ų57.916%0.15732%0.319CS..EExtended strand (participates in β ladder)trans-110.1130176.3-63.4-105.9000109.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.48Å; T215-H259 PolarHBondContact N-O 3.08Å; T215-H259 PolarHBondContact O-N 2.89Å; Q217-H259 PolarHBondContact OE1-NE2 3.11Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.16Å; T257-H259 WeakPolarHBondContact CB-NE2 2.83Å; T257-H259 PolarHBondContact O-CD2 3.49Å; T257-H259 PolarHBondContact OG1-NE2 3.05Å; H259-L269 WeakPolarHBondContact CA-O 3.34Å; H259-T270 PolarHBondContact ND1-OG1 3.33Å
260V98.6Very high97.2Very high0 Ų059.9 Ų59.90%033%0.33CS..EExtended strand (participates in β ladder)trans-123.5122.8-178.4-173.70000109.4P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.95Å; T186-V260 HydrophobicContact CG2-CB 4.37Å; T186-V260 HydrophobicContact CG2-CG1 4.1Å; 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 4.19Å; V260-P268 WeakPolarHBondContact O-CA 3.37Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3.27Å; V260-L269 PolarHBondContact O-N 3.3Å; V260-L271 HydrophobicContact CG2-CD1 4.03Å
261Q98.6Very high97.3Very high104 Ų10459 Ų5949%0.48632%0.321SS..EExtended strand (participates in β ladder)trans-119.1130.9173.6-53.4-178.95.700109.6I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.48Å; T213-Q261 PolarHBondContact N-O 2.97Å; T213-Q261 PolarHBondContact O-N 2.7Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
262H98.5Very high97.3Very high14 Ų1463 Ų637%0.06532%0.315CS..  trans-156.4145.6179.3-177.3-97.6000107.9D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.3Å; P184-H262 HydrophobicContact CG-CB 3.98Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.74Å; Y208-H262 PolarHBondContact O-CE1 2.82Å; P209-H262 PolarHBondContact O-NE2 3.16Å; E211-H262 PolarHBondContact O-CD2 2.68Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.36Å; I212-H262 HydrophobicContact CG1-CB 4.12Å; H262-G264 PolarHBondContact ND1-N 2.85Å; H262-G264 PolarHBondContact O-N 2.97Å; H262-G264 VanDerWaalsContact O-N 3.16Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.17Å; H262-L265 WeakPolarHBondContact O-CB 3.31Å; H262-L265 PolarHBondContact O-N 2.87Å
263E96.4Very high97Very high128 Ų12867.2 Ų67.260%0.59833%0.328SS*.THydrogen-bonded Turntrans-61.6-26.1-177.753.3155.1-128.300113.7T181 P209 L265T181-E263 HydrophobicContact CG2-CB 4.41Å; T181-E263 HydrophobicContact CG2-CG 3.6Å; T181-E263 WeakPolarHBondContact CG2-OE1 3.49Å; T181-E263 PolarHBondContact OG1-OE1 3.13Å; P209-E263 WeakPolarHBondContact CD-OE1 3.49Å; P209-E263 VanDerWaalsContact CG-CD 3.48Å; P209-E263 HydrophobicContact CG-CG 3.84Å; P209-E263 WeakPolarHBondContact CG-OE1 3.23Å; E263-L265 PolarHBondContact O-N 3.2Å
264G96.2Very high97.1Very high22 Ų2269.6 Ų69.623%0.22734%0.34CS..THydrogen-bonded Turntrans-73.7-9.6175.600000114.7H262H262-G264 PolarHBondContact ND1-N 2.85Å; H262-G264 PolarHBondContact O-N 2.97Å; H262-G264 VanDerWaalsContact O-N 3.16Å
265L97.9Very high97.1Very high26 Ų2667.5 Ų67.514%0.13633%0.331CS..SBendtrans-93.9126.7177.8-65.2170.2000109.5A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CD2 4.38Å; P184-L265 HydrophobicContact CG-CG 4.19Å; V260-L265 HydrophobicContact CG1-CD1 4.19Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.17Å; H262-L265 WeakPolarHBondContact O-CB 3.31Å; H262-L265 PolarHBondContact O-N 2.87Å; E263-L265 PolarHBondContact O-N 3.2Å; L265-K267 WeakPolarHBondContact CB-O 3.27Å; L265-K267 PolarHBondContact O-N 3.16Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 3.72Å; L265-L269 HydrophobicContact CD2-CD2 4.5Å; L265-L269 HydrophobicContact CD2-CG 3.97Å
266P96.9Very high97.1Very high137 Ų13765.6 Ų65.689%0.8933%0.328SS*.SBendtrans-65.4-22.1176.827.2-34.9000112.5
267K97Very high97Very high151 Ų15168.9 Ų68.966%0.65735%0.345SS*.SBendtrans-151.215217262.2-177.2-178.7179.10109.5L265L265-K267 WeakPolarHBondContact CB-O 3.27Å; L265-K267 PolarHBondContact O-N 3.16Å
268P97.7Very high97Very high76 Ų7672.8 Ų72.849%0.49436%0.364SS..  trans-52.3143.2172.9-27.536.1000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.37Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.14Å
269L98Very high96.9Very high53 Ų5377.6 Ų77.628%0.27739%0.388SS..EExtended strand (participates in β ladder)trans-92.5146.6173.9-62.1177.6000110.2T186 H259 V260 L265T186-L269 HydrophobicContact CG2-CD1 4.24Å; H259-L269 WeakPolarHBondContact CA-O 3.34Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3.27Å; V260-L269 PolarHBondContact O-N 3.3Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 3.72Å; L265-L269 HydrophobicContact CD2-CD2 4.5Å; L265-L269 HydrophobicContact CD2-CG 3.97Å
270T97.9Very high96.8Very high83 Ų8380.7 Ų80.751%0.50940%0.404SS..EExtended strand (participates in β ladder)trans-126.7120.9171.3-56.20000107.9T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.84Å; C258-T270 CarbonylContact O-C 3.52Å; C258-T270 WeakPolarHBondContact O-CA 3.42Å; H259-T270 PolarHBondContact ND1-OG1 3.33Å
271L96.5Very high96.6Very high37 Ų3786.9 Ų86.919%0.19444%0.436CS..EExtended strand (participates in β ladder)trans-118.2143.4-173.3-59.1158.1000109.2T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.2Å; M188-L271 HydrophobicContact CG-CB 4.34Å; M188-L271 HydrophobicContact SD-CB 3.75Å; T257-L271 CarbonylContact C-O 3.49Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.43Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.08Å; C258-L271 PolarHBondContact O-N 2.81Å; V260-L271 HydrophobicContact CG2-CD1 4.03Å
272R94.6Very high96.4Very high155 Ų15585.5 Ų85.559%0.58543%0.431SS*.  trans-129.4159.1169.7-68.8-173.1176.9141.53.1108.5T257T257-R272 HydrophobicContact CG2-CG 3.53Å
273W89.8Confident96.3Very high144 Ų14492 Ų9255%0.54547%0.465SS..  trans-71.40173.1-177.850.2000110.6M188 H190 L200 E253 Q254M188-W273 HydrophobicContact CE-CB 3.56Å; H190-W273 HydrophobicContact CB-CD2 4.13Å; H190-W273 HydrophobicContact CB-CG 4.3Å; H190-W273 HydrophobicContact CB-CZ2 3.94Å; H190-W273 AromaticContact CD2-CE2 3.96Å; H190-W273 AromaticContact CD2-CH2 3.91Å; H190-W273 AromaticContact CD2-CZ2 3.87Å; H190-W273 AromaticContact CG-CE2 3.73Å; H190-W273 AromaticContact CG-CZ2 3.66Å; H190-W273 AromaticContact ND1-CZ2 3.98Å; L200-W273 HydrophobicContact CD2-CB 4.06Å; L200-W273 HydrophobicContact CD2-CD2 4.47Å; L200-W273 HydrophobicContact CD2-CG 4.13Å; E253-W273 HydrophobicContact CB-CE3 3.54Å; E253-W273 HydrophobicContact CB-CZ3 4.11Å; E253-W273 HydrophobicContact CG-CE3 3.62Å; E253-W273 HydrophobicContact CG-CZ3 3.79Å; Q254-W273 PolarHBondContact NE2-O 2.95Å

Retrieved 273 of 273 residues in 192 ms (Link to these results)

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