A0A060VD10_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VD10, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 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
1S93.7Very high98.1Very high107 Ų10738.7 Ų38.775%0.74821%0.213SC*.  0159.2040.10000107.3V102S1-V102 WeakPolarHBondContact CA-O 3.38Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.34Å
2H97.3Very high98Very high39 Ų3936.7 Ų36.718%0.18120%0.203CC..EExtended strand (participates in β ladder)trans-136.2160.5-179.3-65-76000110.8D28 D101 V102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 2.7Å; H2-D28 IonicContact CG-OD2 3.11Å; H2-D28 IonicContact ND1-OD1 3.46Å; H2-D28 IonicContact ND1-OD2 3.4Å; H2-D28 PolarHBondContact ND1-OD2 3.38Å; H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.33Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.37Å; H2-V102 PolarHBondContact O-N 3.07Å; H2-L167 HydrophobicContact CB-CD1 4.39Å; H2-L167 HydrophobicContact CB-CD2 4.46Å; H2-L171 HydrophobicContact CB-CD1 3.68Å; H2-L171 HydrophobicContact CB-CD2 4.03Å; H2-L171 HydrophobicContact CB-CG 4.42Å
3S98.2Very high97.8Very high23 Ų2339 Ų3916%0.16121%0.207CC..EExtended strand (participates in β ladder)trans-137.2150.4178.765.20000111.5V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.58Å; S3-V27 WeakPolarHBondContact O-CA 3.29Å; S3-D28 PolarHBondContact N-OD1 3.41Å; S3-D28 PolarHBondContact O-N 2.86Å; S3-D28 PolarHBondContact OG-OD1 3.29Å; S3-C100 WeakPolarHBondContact CA-O 3.44Å; S3-D101 WeakPolarHBondContact CB-OD1 3.35Å
4M98.7Very high97.4Very high2 Ų240 Ų401%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-123.1124.2166.1-176.5170.760.800108.3Y6 Y26 V27 F32 G99 C100 C163 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.03Å; M4-Y6 HydrophobicContact CG-CE2 3.93Å; M4-Y6 HydrophobicContact SD-CE2 3.87Å; M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.47Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; M4-F32 HydrophobicContact CG-CE1 4.4Å; M4-F32 HydrophobicContact SD-CZ 4.24Å; M4-G99 CarbonylContact O-C 3.6Å; M4-G99 WeakPolarHBondContact O-CA 3.48Å; M4-C100 PolarHBondContact N-O 3.42Å; M4-C100 PolarHBondContact O-N 3.08Å; M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 WeakPolarHBondContact CE-O 3.12Å; M4-C163 WeakPolarHBondContact CE-SG 2.91Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.18Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.39Å; M4-Y170 HydrophobicContact SD-CD2 3.71Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å
5R98.6Very high97Very high51 Ų5143.3 Ų43.319%0.19226%0.264CS..EExtended strand (participates in β ladder)trans-130.9132.8-177.2-57-62.8179.2744.7110.5F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.63Å; R5-F7 HydrophobicContact CB-CZ 3.98Å; R5-G25 CarbonylContact O-C 3.48Å; R5-G25 WeakPolarHBondContact O-CA 3.45Å; R5-Y26 PolarHBondContact N-O 3.27Å; R5-Y26 PolarHBondContact O-N 3.01Å; R5-D101 IonicContact CZ-OD1 3.6Å; R5-D101 IonicContact NE-OD1 2.73Å; R5-D101 PolarHBondContact NE-OD1 2.89Å; R5-D101 VanDerWaalsContact NH2-CG 3.31Å; R5-D101 IonicContact NH2-OD1 3.64Å; R5-D101 PolarHBondContact NH2-OD1 3.28Å; R5-D101 IonicContact NH2-OD2 3.2Å; R5-D101 PolarHBondContact NH2-OD2 2.91Å; R5-D101 VanDerWaalsContact NH2-OD2 3.11Å; R5-Y112 PolarHBondContact NH2-OH 3.41Å
6Y98.8Very high96.7Very high23 Ų2353.9 Ų53.99%0.0930%0.298CS..EExtended strand (participates in β ladder)trans-111.4139.8169.6-65.7-88.5000109.4M4 V24 F32 V33 M97 F98M4-Y6 HydrophobicContact CE-CE2 4.03Å; M4-Y6 HydrophobicContact CG-CE2 3.93Å; M4-Y6 HydrophobicContact SD-CE2 3.87Å; Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.3Å; Y6-F32 HydrophobicContact CE1-CE1 4.4Å; Y6-F32 AromaticContact CE1-CZ 3.75Å; Y6-F32 HydrophobicContact CE1-CZ 3.75Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.27Å; Y6-V33 HydrophobicContact CE1-CG2 3.97Å; Y6-M97 WeakPolarHBondContact O-CA 3.48Å; Y6-F98 VanDerWaalsContact CB-CE1 3.42Å; Y6-F98 HydrophobicContact CD2-CD2 4.33Å; Y6-F98 HydrophobicContact CD2-CE1 4.45Å; Y6-F98 AromaticContact CD2-CE2 3.62Å; Y6-F98 HydrophobicContact CD2-CE2 3.62Å; Y6-F98 AromaticContact CD2-CZ 3.7Å; Y6-F98 HydrophobicContact CD2-CZ 3.7Å; Y6-F98 HydrophobicContact CE2-CE2 4.34Å; Y6-F98 HydrophobicContact CG-CE1 4.17Å; Y6-F98 HydrophobicContact CG-CE2 4.13Å; Y6-F98 AromaticContact CG-CZ 3.72Å; Y6-F98 HydrophobicContact CG-CZ 3.72Å; Y6-F98 PolarHBondContact N-O 3.35Å; Y6-F98 PolarHBondContact O-N 3.49Å
7F98.8Very high96.4Very high86 Ų8654.2 Ų54.238%0.37732%0.317SS..EExtended strand (participates in β ladder)trans-124.8132.5176.1-56.2-97.3000108.5R5 A23 V24 Y26 M96 M97R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.63Å; R5-F7 HydrophobicContact CB-CZ 3.98Å; F7-A23 CarbonylContact O-C 3.55Å; F7-A23 VanDerWaalsContact O-CA 3.24Å; F7-A23 WeakPolarHBondContact O-CA 3.48Å; F7-V24 HydrophobicContact CB-CG2 3.88Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.05Å; F7-V24 PolarHBondContact O-N 3.46Å; F7-Y26 HydrophobicContact CD2-CD2 4.2Å; F7-Y26 HydrophobicContact CE2-CD2 4.22Å; F7-M96 WeakPolarHBondContact CA-O 3.3Å; F7-M97 HydrophobicContact CD1-CB 3.88Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.02Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CG-CG 4.45Å; F7-M97 HydrophobicContact CZ-CG 3.96Å
8S98.7Very high96.3Very high3 Ų356.7 Ų56.72%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-120.3151.2167.266.10000110.9I22 H69 Q95 M96S8-I22 CarbonylContact C-O 3.6Å; S8-I22 VanDerWaalsContact CA-O 3.27Å; S8-I22 WeakPolarHBondContact CA-O 3.35Å; S8-H69 PolarHBondContact OG-CE1 3.27Å; S8-H69 VanDerWaalsContact OG-CE1 3.28Å; S8-H69 PolarHBondContact OG-NE2 2.91Å; S8-Q95 WeakPolarHBondContact O-CA 3.37Å; S8-M96 PolarHBondContact N-O 3.12Å; S8-M96 PolarHBondContact O-N 2.71Å; S8-M96 VanDerWaalsContact O-N 3.09Å; S8-M96 WeakPolarHBondContact OG-CB 3.27Å
9T98.8Very high96.3Very high43 Ų4354.9 Ų54.926%0.26432%0.315SS..EExtended strand (participates in β ladder)trans-141.2124.4174.1-59.60000109.2V11 F21 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 4Å; T9-F21 WeakPolarHBondContact O-CA 3.28Å; T9-I22 PolarHBondContact N-O 2.94Å; T9-I22 PolarHBondContact O-N 3.42Å; T9-T93 HydrophobicContact CG2-CG2 3.83Å; T9-L94 WeakPolarHBondContact CA-O 3.45Å; T9-Q95 HydrophobicContact CG2-CG 4.07Å
10S98.6Very high96.4Very high2 Ų256.6 Ų56.61%0.01432%0.316CS..EExtended strand (participates in β ladder)trans-117.6115.8-179.6-66.70000109.3R20 F21 D73 T93 L94S10-R20 CarbonylContact C-O 3.55Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.29Å; S10-F21 WeakPolarHBondContact OG-CD2 3.42Å; S10-D73 VanDerWaalsContact OG-CB 3.23Å; S10-D73 WeakPolarHBondContact OG-CB 3.4Å; S10-D73 PolarHBondContact OG-OD2 3.33Å; S10-T93 CarbonylContact O-C 3.6Å; S10-T93 WeakPolarHBondContact O-CA 3.46Å; S10-L94 PolarHBondContact N-O 3.26Å; S10-L94 PolarHBondContact O-N 2.81Å
11V98.4Very high96.5Very high47 Ų4754 Ų5429%0.28530%0.302SS..EExtended strand (participates in β ladder)trans-113.2114.1-178.1-173.50000109T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 4Å; V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.33Å; V11-P19 WeakPolarHBondContact O-CB 3.27Å; V11-R20 PolarHBondContact N-O 3.31Å; V11-R20 PolarHBondContact O-N 3.37Å; V11-H92 WeakPolarHBondContact CA-O 3.46Å; V11-T93 HydrophobicContact CG2-CG2 4.26Å
12S97.5Very high96.8Very high14 Ų1450.9 Ų50.910%0.09828%0.276CS..  trans-66.4145.4174.373.70000110.6S91 H92S12-S91 PolarHBondContact O-OG 2.89Å; S12-H92 PolarHBondContact N-O 3.43Å; S12-H92 PolarHBondContact OG-N 3.35Å; S12-H92 PolarHBondContact OG-O 2.87Å
13R95.8Very high96.8Very high67 Ų6749.6 Ų49.625%0.25327%0.272SS..  trans-134.272-176.8-59.6-179.3-74.2-166.7-8.5110.6G15 R16 E18 R20 D38R13-G15 PolarHBondContact O-N 3.45Å; R13-R16 HydrophobicContact CB-CB 4.06Å; R13-R16 PolarHBondContact O-N 2.93Å; R13-E18 PolarHBondContact NE-O 3.49Å; R13-E18 PolarHBondContact NH2-O 3.5Å; R13-R20 VanDerWaalsContact CZ-CB 3.46Å; R13-D38 IonicContact CZ-OD1 3.63Å; R13-D38 IonicContact CZ-OD2 3.27Å; R13-D38 IonicContact NH1-OD1 2.71Å; R13-D38 PolarHBondContact NH1-OD1 3.32Å; R13-D38 IonicContact NH1-OD2 2.81Å; R13-D38 PolarHBondContact NH1-OD2 2.88Å; R13-D38 IonicContact NH2-OD1 3.67Å; R13-D38 PolarHBondContact NH2-OD1 3.47Å; R13-D38 IonicContact NH2-OD2 3.53Å
14P92.3Very high96.9Very high53 Ų5349.7 Ų49.734%0.34427%0.272SS..THydrogen-bonded Turntrans-49.9128.4-176.4-26.834.2000112.5R16 E88 G90P14-R16 PolarHBondContact O-N 3.33Å; P14-E88 VanDerWaalsContact CB-O 3.29Å; P14-E88 WeakPolarHBondContact CB-O 3.24Å; P14-E88 WeakPolarHBondContact CG-O 3.29Å; P14-G90 WeakPolarHBondContact CG-O 3.43Å
15G90.9Very high96.9Very high90 Ų9049.6 Ų49.693%0.92827%0.272SS*.THydrogen-bonded Turntrans71.84.1-178.400000115.9R13R13-G15 PolarHBondContact O-N 3.45Å
16R92.8Very high96.9Very high212 Ų21250.5 Ų50.580%0.828%0.275SS*.SBendtrans-125.123.6-179.2-59-176.9179.9-176.40.3113.4R13 P14R13-R16 HydrophobicContact CB-CB 4.06Å; R13-R16 PolarHBondContact O-N 2.93Å; P14-R16 PolarHBondContact O-N 3.33Å
17G91.6Very high96.9Very high60 Ų6049.4 Ų49.462%0.61927%0.271SS*.SBendtrans96.6-158.1178.500000113.6
18E94.3Very high96.7Very high98 Ų9846.7 Ų46.746%0.45826%0.261SS..SBendtrans-71.9156.1-177.7-67.3-67.218000112.3R13 R20 R74 R78R13-E18 PolarHBondContact NE-O 3.49Å; R13-E18 PolarHBondContact NH2-O 3.5Å; E18-R20 PolarHBondContact O-N 2.94Å; E18-R74 VanDerWaalsContact CD-NH1 3.3Å; E18-R74 IonicContact OE1-CZ 3.06Å; E18-R74 IonicContact OE1-NH1 2.82Å; E18-R74 PolarHBondContact OE1-NH1 2.85Å; E18-R74 WeakPolarHBondContact OE2-CD 3.34Å; E18-R74 IonicContact OE2-NE 2.59Å; E18-R74 IonicContact OE2-NH1 2.93Å; E18-R74 PolarHBondContact OE2-NH1 3.43Å; E18-R78 IonicContact OE2-NH2 3.84Å
19P96.8Very high96.6Very high23 Ų2349.7 Ų49.715%0.14928%0.276CS..PPolyproline II helixtrans-52.4136.7173.3-25.734.9000111.7V11 F21 R74 L77V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.33Å; V11-P19 WeakPolarHBondContact O-CB 3.27Å; P19-F21 PolarHBondContact O-N 2.93Å; P19-R74 HydrophobicContact CG-CB 4.47Å; P19-R74 HydrophobicContact CG-CG 4.18Å; P19-L77 HydrophobicContact CB-CD1 3.75Å; P19-L77 HydrophobicContact CG-CD1 3.83Å
20R98.1Very high96.4Very high89 Ų8948.8 Ų48.834%0.33627%0.271SS..EExtended strand (participates in β ladder)trans-74.7123171.4-167.2175.6177.4-179.9-2.7108.1S10 V11 R13 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.55Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.29Å; V11-R20 PolarHBondContact N-O 3.31Å; V11-R20 PolarHBondContact O-N 3.37Å; R13-R20 VanDerWaalsContact CZ-CB 3.46Å; E18-R20 PolarHBondContact O-N 2.94Å; R20-I22 HydrophobicContact CG-CG1 4.4Å; R20-D36 IonicContact CZ-OD1 3.85Å; R20-D36 IonicContact CZ-OD2 3.32Å; R20-D36 IonicContact NE-OD1 3.97Å; R20-D36 PolarHBondContact NE-OD1 3.28Å; R20-D36 IonicContact NE-OD2 3.42Å; R20-D36 IonicContact NH2-OD1 3.97Å; R20-D36 IonicContact NH2-OD2 3.96Å; R20-D36 PolarHBondContact NH2-OD2 3.07Å; R20-D38 VanDerWaalsContact CD-OD2 3.25Å; R20-D38 WeakPolarHBondContact CD-OD2 3.26Å; R20-D38 IonicContact CZ-OD2 3.87Å; R20-D38 IonicContact NE-OD2 3.44Å; R20-D38 PolarHBondContact NE-OD2 3.09Å
21F98.6Very high96.4Very high2 Ų251 Ų511%0.00928%0.281CS..EExtended strand (participates in β ladder)trans-107.4126.6172.9-176.6-82.6000110T9 S10 P19 A23 F35 S37 V66 H69 S70 D73T9-F21 WeakPolarHBondContact O-CA 3.28Å; S10-F21 WeakPolarHBondContact OG-CD2 3.42Å; P19-F21 PolarHBondContact O-N 2.93Å; F21-A23 HydrophobicContact CE1-CB 3.57Å; F21-A23 HydrophobicContact CZ-CB 4.04Å; F21-F35 AromaticContact CD1-CD1 3.69Å; F21-F35 HydrophobicContact CD1-CD1 3.69Å; F21-F35 AromaticContact CD1-CE1 3.83Å; F21-F35 HydrophobicContact CD1-CE1 3.83Å; F21-F35 HydrophobicContact CE1-CD1 4.04Å; F21-F35 HydrophobicContact CE1-CE1 4.45Å; F21-S37 PolarHBondContact N-OG 3.42Å; F21-S37 PolarHBondContact O-N 2.79Å; F21-S37 PolarHBondContact O-OG 3.37Å; F21-S37 VanDerWaalsContact O-OG 3.11Å; F21-V66 HydrophobicContact CE1-CG2 3.59Å; F21-V66 HydrophobicContact CZ-CG2 4.26Å; F21-H69 AromaticContact CE2-CD2 3.93Å; F21-H69 HydrophobicContact CZ-CB 4.35Å; F21-H69 AromaticContact CZ-CG 3.94Å; F21-S70 WeakPolarHBondContact CB-OG 3.39Å; F21-S70 VanDerWaalsContact CD2-CA 3.45Å; F21-D73 HydrophobicContact CD2-CB 4.17Å; F21-D73 HydrophobicContact CE2-CB 4.2Å; F21-D73 WeakPolarHBondContact CE2-OD2 2.94Å
22I98.8Very high96.4Very high42 Ų4248.8 Ų48.822%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-123.7133.5171.1-62.1168.2000107.4S8 T9 R20 V24 F35S8-I22 CarbonylContact C-O 3.6Å; S8-I22 VanDerWaalsContact CA-O 3.27Å; S8-I22 WeakPolarHBondContact CA-O 3.35Å; T9-I22 PolarHBondContact N-O 2.94Å; T9-I22 PolarHBondContact O-N 3.42Å; R20-I22 HydrophobicContact CG-CG1 4.4Å; I22-V24 HydrophobicContact CG2-CG1 4.43Å; I22-F35 WeakPolarHBondContact CA-O 3.4Å
23A98.7Very high96.4Very high12 Ų1248.3 Ų48.310%0.09926%0.264CS..EExtended strand (participates in β ladder)trans-128.1145.1168.800000111F7 F21 R34 F35 V66F7-A23 CarbonylContact O-C 3.55Å; F7-A23 VanDerWaalsContact O-CA 3.24Å; F7-A23 WeakPolarHBondContact O-CA 3.48Å; F21-A23 HydrophobicContact CE1-CB 3.57Å; F21-A23 HydrophobicContact CZ-CB 4.04Å; A23-R34 CarbonylContact O-C 3.6Å; A23-R34 WeakPolarHBondContact O-CA 3.31Å; A23-F35 HydrophobicContact CB-CB 4.44Å; A23-F35 PolarHBondContact N-O 2.91Å; A23-F35 PolarHBondContact O-N 3.49Å; A23-V66 HydrophobicContact CB-CG2 3.84Å
24V98.8Very high96.5Very high25 Ų2548.4 Ų48.415%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-138.5144.3177.9-63.80000109.8Y6 F7 I22 Y26 V33 R34Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.3Å; F7-V24 HydrophobicContact CB-CG2 3.88Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.05Å; F7-V24 PolarHBondContact O-N 3.46Å; I22-V24 HydrophobicContact CG2-CG1 4.43Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; V24-V33 WeakPolarHBondContact CA-O 3.28Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.18Å
25G98.6Very high96.9Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-120.8138.6175.800000110.7R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.48Å; R5-G25 WeakPolarHBondContact O-CA 3.45Å; G25-Q31 WeakPolarHBondContact O-CA 3.49Å; G25-Q31 WeakPolarHBondContact O-CG 3.33Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.91Å; G25-V33 PolarHBondContact N-O 3.22Å; G25-V33 PolarHBondContact O-N 2.87Å
26Y98.6Very high97.2Very high69 Ų6942.8 Ų42.827%0.27121%0.21SC..EExtended strand (participates in β ladder)trans-125.4140.5178.2-74-101.6000110.4M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.6Å; M4-Y26 WeakPolarHBondContact CA-O 3.47Å; R5-Y26 PolarHBondContact N-O 3.27Å; R5-Y26 PolarHBondContact O-N 3.01Å; F7-Y26 HydrophobicContact CD2-CD2 4.2Å; F7-Y26 HydrophobicContact CE2-CD2 4.22Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.34Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; Y26-T30 WeakPolarHBondContact CA-O 3.26Å; Y26-T30 VanDerWaalsContact CD1-C 3.48Å; Y26-Q31 HydrophobicContact CD1-CB 3.96Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.48Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.48Å; Y26-Q31 HydrophobicContact CE1-CG 4.16Å; Y26-Q31 HydrophobicContact CE2-CB 4.18Å; Y26-Q31 HydrophobicContact CE2-CG 3.93Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V98.4Very high97.5Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-107.7119.1157.1176.70000106.2S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.58Å; S3-V27 WeakPolarHBondContact O-CA 3.29Å; M4-V27 HydrophobicContact CG-CG2 4.39Å; V27-D29 PolarHBondContact O-N 2.99Å; V27-T30 PolarHBondContact N-O 3.46Å; V27-T30 PolarHBondContact O-N 3.34Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; V27-W50 HydrophobicContact CB-CH2 4.41Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; V27-L167 HydrophobicContact CB-CD1 4.5Å; V27-L167 HydrophobicContact CG1-CD1 3.57Å; V27-L167 HydrophobicContact CG2-CD1 4.23Å; V27-Y170 HydrophobicContact CG2-CD2 4.04Å; V27-L171 HydrophobicContact CG1-CD2 4.1Å; V27-L178 HydrophobicContact CB-CD1 4.25Å; V27-L178 HydrophobicContact CB-CD2 4.1Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å
28D96.4Very high97.7Very high30 Ų3034.4 Ų34.416%0.1617%0.168CC..THydrogen-bonded Turntrans48.2-122.1-165.9-54.7-40.5000110.7H2 S3H2-D28 VanDerWaalsContact CA-OD1 3.22Å; H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 2.7Å; H2-D28 IonicContact CG-OD2 3.11Å; H2-D28 IonicContact ND1-OD1 3.46Å; H2-D28 IonicContact ND1-OD2 3.4Å; H2-D28 PolarHBondContact ND1-OD2 3.38Å; S3-D28 PolarHBondContact N-OD1 3.41Å; S3-D28 PolarHBondContact O-N 2.86Å; S3-D28 PolarHBondContact OG-OD1 3.29Å
29D95.1Very high97.9Very high66 Ų6631.1 Ų31.135%0.35316%0.158SC..THydrogen-bonded Turntrans-94.47.7-179.9-52.7-59.2000113.3V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.99Å; D29-Y208 HydrophobicContact CB-CE2 4.48Å; D29-P209 WeakPolarHBondContact OD2-CB 3.44Å; D29-A210 HydrophobicContact CB-CB 4.16Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 WeakPolarHBondContact OD2-CB 3.3Å; D29-A210 PolarHBondContact OD2-N 3.5Å; D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.51Å
30T96.2Very high97.8Very high23 Ų2335.5 Ų35.514%0.14120%0.196CC..EExtended strand (participates in β ladder)trans-105.1115.2-176-59.90000111.6Y26 V27 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.26Å; Y26-T30 VanDerWaalsContact CD1-C 3.48Å; V27-T30 PolarHBondContact N-O 3.46Å; V27-T30 PolarHBondContact O-N 3.34Å; T30-F32 PolarHBondContact O-N 3.46Å; T30-L178 HydrophobicContact CG2-CD2 4.11Å; T30-Y208 PolarHBondContact OG1-OH 3.02Å
31Q97.3Very high97.6Very high50 Ų5033.9 Ų33.923%0.23420%0.198CC..EExtended strand (participates in β ladder)trans-68.2131.6173.7-166.1179.91.400110.4G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.49Å; G25-Q31 WeakPolarHBondContact O-CG 3.33Å; Y26-Q31 HydrophobicContact CD1-CB 3.96Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.48Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.48Å; Y26-Q31 HydrophobicContact CE1-CG 4.16Å; Y26-Q31 HydrophobicContact CE2-CB 4.18Å; Y26-Q31 HydrophobicContact CE2-CG 3.93Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 3.42Å; Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.53Å
32F98.1Very high97.5Very high0 Ų038 Ų380%022%0.218CC..EExtended strand (participates in β ladder)trans-122.5-22.9179.875.6-82.7000114.4M4 Y6 G25 V27 T30 P46 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.4Å; M4-F32 HydrophobicContact SD-CZ 4.24Å; Y6-F32 HydrophobicContact CE1-CE1 4.4Å; Y6-F32 AromaticContact CE1-CZ 3.75Å; Y6-F32 HydrophobicContact CE1-CZ 3.75Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.27Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.91Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; T30-F32 PolarHBondContact O-N 3.46Å; F32-P46 CarbonylContact O-C 3.56Å; F32-R47 PolarHBondContact O-N 2.92Å; F32-A48 HydrophobicContact CB-CB 4.16Å; F32-W50 HydrophobicContact CB-CH2 3.11Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.93Å; F32-W50 HydrophobicContact CD1-CH2 4.08Å; F32-W50 AromaticContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CZ3 4.12Å; F32-W50 AromaticContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CH2 3.44Å; F32-W50 VanDerWaalsContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.16Å; F32-I51 HydrophobicContact CB-CG2 4.5Å; F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 3.99Å; F32-I51 HydrophobicContact CD2-CG1 4.02Å; F32-I51 HydrophobicContact CE2-CD1 4.36Å; F32-I51 VanDerWaalsContact O-CG2 3.26Å; F32-I51 WeakPolarHBondContact O-CG2 3.22Å; F32-Y170 HydrophobicContact CE2-CD2 4.19Å; F32-Y170 AromaticContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CZ-CD2 4.25Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å
33V98.5Very high97.4Very high3 Ų342.8 Ų42.82%0.01823%0.233CC..EExtended strand (participates in β ladder)trans-138.5154175.4-72.20000112.7Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.97Å; V24-V33 WeakPolarHBondContact CA-O 3.28Å; G25-V33 PolarHBondContact N-O 3.22Å; G25-V33 PolarHBondContact O-N 2.87Å; Q31-V33 PolarHBondContact NE2-O 3.42Å; V33-M44 HydrophobicContact CB-CG 4.07Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.11Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.14Å; V33-E45 WeakPolarHBondContact CA-O 3.36Å; V33-I51 HydrophobicContact CG1-CG1 4.49Å; V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å
34R98.6Very high97.4Very high69 Ų6942.9 Ų42.926%0.2623%0.232SC..EExtended strand (participates in β ladder)trans-145.8142.5172.6179.6173.717195.96.2111.2A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.6Å; A23-R34 WeakPolarHBondContact O-CA 3.31Å; V24-R34 HydrophobicContact CG1-CB 4.44Å; V24-R34 HydrophobicContact CG1-CG 4.18Å; R34-D36 IonicContact NH2-OD2 3.47Å; R34-D36 PolarHBondContact NH2-OD2 2.97Å; R34-D36 VanDerWaalsContact NH2-OD2 3.08Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; R34-E45 PolarHBondContact N-O 3.18Å; R34-E45 PolarHBondContact O-N 2.88Å; R34-R47 HydrophobicContact CB-CG 3.86Å
35F98.8Very high97.4Very high5 Ų544.5 Ų44.52%0.02224%0.237CC..EExtended strand (participates in β ladder)trans-128142.3165.8177.5-87.3000109.9F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.69Å; F21-F35 HydrophobicContact CD1-CD1 3.69Å; F21-F35 AromaticContact CD1-CE1 3.83Å; F21-F35 HydrophobicContact CD1-CE1 3.83Å; F21-F35 HydrophobicContact CE1-CD1 4.04Å; F21-F35 HydrophobicContact CE1-CE1 4.45Å; I22-F35 WeakPolarHBondContact CA-O 3.4Å; A23-F35 HydrophobicContact CB-CB 4.44Å; A23-F35 PolarHBondContact N-O 2.91Å; A23-F35 PolarHBondContact O-N 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.48Å; F35-Q42 WeakPolarHBondContact CE2-O 3.18Å; F35-R43 WeakPolarHBondContact CD2-O 3.06Å; F35-M44 HydrophobicContact CB-CE 4.28Å; F35-M44 HydrophobicContact CB-SD 3.95Å; F35-V66 HydrophobicContact CB-CG1 4.13Å; F35-V66 HydrophobicContact CB-CG2 3.81Å; F35-V66 HydrophobicContact CD1-CG1 4.32Å; F35-V66 HydrophobicContact CD1-CG2 3.93Å; F35-V66 HydrophobicContact CD2-CG1 3.36Å; F35-V66 HydrophobicContact CD2-CG2 4.34Å; F35-V66 HydrophobicContact CE2-CG1 3.75Å; F35-V66 HydrophobicContact CG-CB 4.41Å; F35-V66 HydrophobicContact CG-CG1 3.68Å; F35-V66 HydrophobicContact CG-CG2 3.77Å; F35-V66 HydrophobicContact CZ-CG1 4.38Å; F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4.16Å
36D98.6Very high97.4Very high21 Ų2146.6 Ų46.611%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-138.1119.4172.5-164.8-27.4000109.5R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.85Å; R20-D36 IonicContact CZ-OD2 3.32Å; R20-D36 IonicContact NE-OD1 3.97Å; R20-D36 PolarHBondContact NE-OD1 3.28Å; R20-D36 IonicContact NE-OD2 3.42Å; R20-D36 IonicContact NH2-OD1 3.97Å; R20-D36 IonicContact NH2-OD2 3.96Å; R20-D36 PolarHBondContact NH2-OD2 3.07Å; R34-D36 IonicContact NH2-OD2 3.47Å; R34-D36 PolarHBondContact NH2-OD2 2.97Å; R34-D36 VanDerWaalsContact NH2-OD2 3.08Å; D36-D38 PolarHBondContact O-N 2.99Å; D36-D38 PolarHBondContact OD1-N 2.94Å; D36-D38 VanDerWaalsContact OD1-N 3.12Å; D36-A39 HydrophobicContact CB-CB 4.16Å; D36-A39 VanDerWaalsContact O-CB 3.32Å; D36-A39 WeakPolarHBondContact O-CB 3.33Å; D36-A39 PolarHBondContact O-N 2.97Å
37S98Very high97.3Very high17 Ų1748.1 Ų48.112%0.11926%0.256CS..THydrogen-bonded Turntrans-62.8-22.618058.50000113.9F21 Q42F21-S37 PolarHBondContact N-OG 3.42Å; F21-S37 PolarHBondContact O-N 2.79Å; F21-S37 PolarHBondContact O-OG 3.37Å; F21-S37 VanDerWaalsContact O-OG 3.11Å; S37-Q42 PolarHBondContact O-NE2 2.68Å
38D97.2Very high97.2Very high78 Ų7848.3 Ų48.342%0.41726%0.258SS..THydrogen-bonded Turntrans-86.8-8.4177.2-72.4-5.8000112.3R13 R20 D36R13-D38 IonicContact CZ-OD1 3.63Å; R13-D38 IonicContact CZ-OD2 3.27Å; R13-D38 IonicContact NH1-OD1 2.71Å; R13-D38 PolarHBondContact NH1-OD1 3.32Å; R13-D38 IonicContact NH1-OD2 2.81Å; R13-D38 PolarHBondContact NH1-OD2 2.88Å; R13-D38 IonicContact NH2-OD1 3.67Å; R13-D38 PolarHBondContact NH2-OD1 3.47Å; R13-D38 IonicContact NH2-OD2 3.53Å; R20-D38 VanDerWaalsContact CD-OD2 3.25Å; R20-D38 WeakPolarHBondContact CD-OD2 3.26Å; R20-D38 IonicContact CZ-OD2 3.87Å; R20-D38 IonicContact NE-OD2 3.44Å; R20-D38 PolarHBondContact NE-OD2 3.09Å; D36-D38 PolarHBondContact O-N 2.99Å; D36-D38 PolarHBondContact OD1-N 2.94Å; D36-D38 VanDerWaalsContact OD1-N 3.12Å
39A97.1Very high97.2Very high30 Ų3051.8 Ų51.825%0.24828%0.282CS..SBendtrans-70.9145.4176.800000111.2D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.16Å; D36-A39 VanDerWaalsContact O-CB 3.32Å; D36-A39 WeakPolarHBondContact O-CB 3.33Å; D36-A39 PolarHBondContact O-N 2.97Å; A39-S41 VanDerWaalsContact C-N 3.29Å; A39-S41 PolarHBondContact O-N 3.41Å; A39-Q42 WeakPolarHBondContact O-CG 3.47Å; A39-Q42 PolarHBondContact O-N 3.5Å
40A96.3Very high97.2Very high115 Ų11549.4 Ų49.495%0.9527%0.268SS*.SBendtrans-62.8-33.3-178.600000113.5
41S93.6Very high97.3Very high54 Ų5448.3 Ų48.338%0.37826%0.261SS..SBendtrans-71.8-33.2178.6590000112.2A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.29Å; A39-S41 PolarHBondContact O-N 3.41Å; S41-R43 PolarHBondContact O-N 2.67Å; S41-E45 PolarHBondContact OG-OE1 3.2Å
42Q95.9Very high97.3Very high90 Ų9051.9 Ų51.942%0.42128%0.278SS..  trans3950.4-167.3-59.4-172.7-22.900111.7F35 S37 A39 K67F35-Q42 HydrophobicContact CE2-CB 4.48Å; F35-Q42 WeakPolarHBondContact CE2-O 3.18Å; S37-Q42 PolarHBondContact O-NE2 2.68Å; A39-Q42 WeakPolarHBondContact O-CG 3.47Å; A39-Q42 PolarHBondContact O-N 3.5Å; Q42-K67 WeakPolarHBondContact O-CE 3.48Å; Q42-K67 PolarHBondContact O-NZ 2.8Å
43R97.9Very high97.1Very high141 Ų14157.8 Ų57.853%0.53231%0.305SS..SBendtrans-123156.6179.1-83.2-175.5156.6123.7-4.1110.6F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.06Å; S41-R43 PolarHBondContact O-N 2.67Å; R43-E45 PolarHBondContact O-N 3.31Å; R43-T63 HydrophobicContact CG-CG2 4.09Å
44M98.4Very high97Very high15 Ų1558.2 Ų58.27%0.07431%0.307CS..  trans-68.2127.8165.4-170.864.581.100107.9V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.07Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.11Å; V33-M44 HydrophobicContact CG1-SD 4.41Å; V33-M44 HydrophobicContact CG2-SD 4.14Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; F35-M44 HydrophobicContact CB-CE 4.28Å; F35-M44 HydrophobicContact CB-SD 3.95Å; M44-W59 HydrophobicContact CB-CE3 4.33Å; M44-W59 HydrophobicContact CG-CE3 4.3Å; M44-W59 HydrophobicContact CG-CZ3 4.07Å; M44-E62 HydrophobicContact CB-CB 4.25Å; M44-E62 HydrophobicContact CG-CB 4.22Å; M44-T63 PolarHBondContact N-OG1 2.96Å; M44-V66 HydrophobicContact CE-CB 3.76Å; M44-V66 HydrophobicContact CE-CG1 3.96Å; M44-V66 HydrophobicContact CE-CG2 3.93Å
45E98.2Very high96.9Very high59 Ų5956.6 Ų56.628%0.27631%0.312SS..EExtended strand (participates in β ladder)trans-117.7140.7-175.2-62.4178.3171.800110.9V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.36Å; R34-E45 PolarHBondContact N-O 3.18Å; R34-E45 PolarHBondContact O-N 2.88Å; S41-E45 PolarHBondContact OG-OE1 3.2Å; R43-E45 PolarHBondContact O-N 3.31Å; E45-R47 IonicContact OE2-CZ 3.97Å; E45-R47 IonicContact OE2-NH1 3.84Å; E45-R47 PolarHBondContact OE2-NH1 3.36Å; E45-R47 VanDerWaalsContact OE2-NH1 3.14Å; E45-R47 IonicContact OE2-NH2 2.78Å; E45-R47 PolarHBondContact OE2-NH2 2.93Å
46P98.1Very high96.9Very high43 Ų4361 Ų6128%0.27934%0.341SS..EExtended strand (participates in β ladder)trans-66.7147.9174.928.1-34.3000111.2F32 I51 E52 W59F32-P46 CarbonylContact O-C 3.56Å; P46-I51 HydrophobicContact CB-CG2 3.63Å; P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.98Å; P46-W59 HydrophobicContact CB-CH2 3.61Å; P46-W59 HydrophobicContact CB-CZ2 3.94Å; P46-W59 HydrophobicContact CB-CZ3 4.5Å; P46-W59 HydrophobicContact CG-CH2 4.22Å; P46-W59 HydrophobicContact CG-CZ2 4.33Å
47R97.3Very high96.8Very high102 Ų10267.9 Ų67.939%0.38537%0.373SS..  trans-130.21173.9-65.1-63.6-178.6-94.72.2113.4Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.53Å; F32-R47 PolarHBondContact O-N 2.92Å; R34-R47 HydrophobicContact CB-CG 3.86Å; E45-R47 IonicContact OE2-CZ 3.97Å; E45-R47 IonicContact OE2-NH1 3.84Å; E45-R47 PolarHBondContact OE2-NH1 3.36Å; E45-R47 VanDerWaalsContact OE2-NH1 3.14Å; E45-R47 IonicContact OE2-NH2 2.78Å; E45-R47 PolarHBondContact OE2-NH2 2.93Å
48A96.1Very high96.8Very high4 Ų468.1 Ų68.13%0.03337%0.371CS..SBendtrans-138.4143.4173.300000110.9F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.16Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.12Å; A48-W50 HydrophobicContact CB-CG 4.34Å; A48-W50 HydrophobicContact CB-CZ2 3.93Å; A48-W50 PolarHBondContact O-N 3.17Å; A48-I51 WeakPolarHBondContact O-CG2 3.48Å; A48-I51 PolarHBondContact O-N 3.07Å
49P96.2Very high96.8Very high103 Ų10366.3 Ų66.367%0.66936%0.358SS*.G310 helixtrans-58.4-36.7-177.1-26.734.9000113.8I51 E52P49-I51 PolarHBondContact O-N 3.49Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 3.45Å; P49-E52 VanDerWaalsContact O-N 3.1Å
50W96.1Very high96.9Very high15 Ų1569.3 Ų69.36%0.05737%0.37CS..G310 helixtrans-70.5-13.9-176.853.7-105.4000114.3V27 F32 A48 Q53 Y170 G174 L178V27-W50 HydrophobicContact CB-CH2 4.41Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; F32-W50 HydrophobicContact CB-CH2 3.11Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.93Å; F32-W50 HydrophobicContact CD1-CH2 4.08Å; F32-W50 AromaticContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CZ3 4.12Å; F32-W50 AromaticContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CH2 3.44Å; F32-W50 VanDerWaalsContact CG-CH2 3.44Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.16Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.12Å; A48-W50 HydrophobicContact CB-CG 4.34Å; A48-W50 HydrophobicContact CB-CZ2 3.93Å; A48-W50 PolarHBondContact O-N 3.17Å; W50-Q53 WeakPolarHBondContact O-CG 3.41Å; W50-Q53 PolarHBondContact O-NE2 3.21Å; W50-Y170 HydrophobicContact CH2-CG 4.4Å; W50-Y170 HydrophobicContact CZ3-CD1 4.06Å; W50-Y170 HydrophobicContact CZ3-CD2 4.48Å; W50-Y170 AromaticContact CZ3-CG 3.82Å; W50-Y170 HydrophobicContact CZ3-CG 3.82Å; W50-G174 VanDerWaalsContact CB-CA 3.49Å; W50-G174 VanDerWaalsContact CG-CA 3.48Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4Å; W50-L178 HydrophobicContact CZ2-CG 4.28Å
51I97.6Very high97Very high0 Ų069 Ų690%035%0.349CS..G310 helixtrans-90.4-19.5172.4-161.472.7000111.6F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CB-CG2 4.5Å; F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 3.99Å; F32-I51 HydrophobicContact CD2-CG1 4.02Å; F32-I51 HydrophobicContact CE2-CD1 4.36Å; F32-I51 VanDerWaalsContact O-CG2 3.26Å; F32-I51 WeakPolarHBondContact O-CG2 3.22Å; V33-I51 HydrophobicContact CG1-CG1 4.49Å; P46-I51 HydrophobicContact CB-CG2 3.63Å; A48-I51 WeakPolarHBondContact O-CG2 3.48Å; A48-I51 PolarHBondContact O-N 3.07Å; P49-I51 PolarHBondContact O-N 3.49Å; I51-Q53 PolarHBondContact O-N 3.24Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.07Å; I51-E54 VanDerWaalsContact O-CB 3.27Å; I51-E54 WeakPolarHBondContact O-CB 3.39Å; I51-E54 WeakPolarHBondContact O-CG 3.08Å; I51-E54 PolarHBondContact O-N 2.86Å; I51-Y58 HydrophobicContact CD1-CE1 4.29Å; I51-Y58 HydrophobicContact CG1-CE1 4.26Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.81Å; I51-W59 HydrophobicContact CG1-CZ2 4.09Å; I51-W59 HydrophobicContact CG2-CH2 4Å; I51-W59 HydrophobicContact CG2-CZ2 4.38Å; I51-W59 WeakPolarHBondContact O-CZ2 3.37Å; I51-Y170 HydrophobicContact CD1-CD1 3.73Å; I51-Y170 HydrophobicContact CD1-CE1 3.41Å; I51-Y170 VanDerWaalsContact CD1-CE1 3.41Å
52E96.5Very high97.2Very high125 Ų12567.7 Ų67.758%0.58434%0.337SS*.THydrogen-bonded Turntrans-64.9-21.5-177.5-64.6-179.5-174.500113.3P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.98Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 3.45Å; P49-E52 VanDerWaalsContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 3.34Å
53Q94.9Very high97.3Very high124 Ų12463.9 Ų63.958%0.57932%0.32SS*.THydrogen-bonded Turntrans-72-10.8174.868.4-177.42.300114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.41Å; W50-Q53 PolarHBondContact O-NE2 3.21Å; I51-Q53 PolarHBondContact O-N 3.24Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 2.91Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.11Å; Q53-N173 PolarHBondContact NE2-OD1 2.93Å
54E96.6Very high97.3Very high13 Ų1359.1 Ų59.16%0.06131%0.314CS..SBendtrans-63138.5173.9-70.1-62151.800111.3I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.66Å; I51-E54 HydrophobicContact CG1-CG 4.07Å; I51-E54 VanDerWaalsContact O-CB 3.27Å; I51-E54 WeakPolarHBondContact O-CB 3.39Å; I51-E54 WeakPolarHBondContact O-CG 3.08Å; I51-E54 PolarHBondContact O-N 2.86Å; E52-E54 PolarHBondContact O-N 3.34Å; E54-Y58 HydrophobicContact CB-CD1 3.48Å; E54-Y58 VanDerWaalsContact CB-CD1 3.48Å; E54-Y58 HydrophobicContact CB-CE1 4.06Å; E54-Y58 HydrophobicContact CB-CG 3.76Å; E54-Y58 HydrophobicContact CG-CD1 3.86Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.02Å; E54-Y58 HydrophobicContact CG-CE2 4.46Å; E54-Y58 HydrophobicContact CG-CG 4.03Å; E54-W59 HydrophobicContact CB-CZ2 4.31Å; E54-W59 PolarHBondContact O-NE1 2.73Å; E54-R169 VanDerWaalsContact CD-CZ 3.49Å; E54-R169 IonicContact OE1-CZ 2.7Å; E54-R169 IonicContact OE1-NE 3.06Å; E54-R169 PolarHBondContact OE1-NE 3.05Å; E54-R169 IonicContact OE1-NH2 3.73Å; E54-R169 PolarHBondContact OE1-NH2 2.75Å; E54-R169 IonicContact OE2-CZ 2.73Å; E54-R169 IonicContact OE2-NE 2.67Å; E54-R169 IonicContact OE2-NH1 2.78Å; E54-R169 IonicContact OE2-NH2 3.8Å; E54-R169 PolarHBondContact OE2-NH2 2.91Å; E54-N173 PolarHBondContact OE1-ND2 2.89Å
55G96.5Very high97.3Very high34 Ų3462.8 Ų62.835%0.35133%0.33SS..  trans-71.5167.5-176.500000113.7E57 Y58 W59G55-E57 PolarHBondContact O-N 2.8Å; G55-Y58 WeakPolarHBondContact O-CB 3.44Å; G55-Y58 PolarHBondContact O-N 2.95Å; G55-Y58 VanDerWaalsContact O-N 3.12Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; G55-W59 PolarHBondContact O-N 3.02Å
56P97.1Very high97.3Very high98 Ų9860.4 Ų60.464%0.63632%0.32SS*.Hα-helixtrans-58.3-34.3-179.723.8-33.9000113.3Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.31Å; P56-Y58 PolarHBondContact O-N 3.04Å; P56-W59 PolarHBondContact O-N 2.88Å; P56-D60 PolarHBondContact O-N 3.3Å
57E97.8Very high97.3Very high166 Ų16662.2 Ų62.278%0.77632%0.323SS*.Hα-helixtrans-59.5-40.8177.6-64.9-179.1176.200112.2G55 E61G55-E57 PolarHBondContact O-N 2.8Å; E57-E61 VanDerWaalsContact O-CB 3.28Å; E57-E61 WeakPolarHBondContact O-CB 3.32Å; E57-E61 PolarHBondContact O-N 2.71Å
58Y97.3Very high97.4Very high22 Ų2260.1 Ų60.19%0.08633%0.327CS..Hα-helixtrans-61.3-48.6175.2171.2-91.1000111I51 E54 G55 P56 D60 E61 E62 Y170I51-Y58 HydrophobicContact CD1-CE1 4.29Å; I51-Y58 HydrophobicContact CG1-CE1 4.26Å; E54-Y58 HydrophobicContact CB-CD1 3.48Å; E54-Y58 VanDerWaalsContact CB-CD1 3.48Å; E54-Y58 HydrophobicContact CB-CE1 4.06Å; E54-Y58 HydrophobicContact CB-CG 3.76Å; E54-Y58 HydrophobicContact CG-CD1 3.86Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.02Å; E54-Y58 HydrophobicContact CG-CE2 4.46Å; E54-Y58 HydrophobicContact CG-CG 4.03Å; G55-Y58 WeakPolarHBondContact O-CB 3.44Å; G55-Y58 PolarHBondContact O-N 2.95Å; G55-Y58 VanDerWaalsContact O-N 3.12Å; P56-Y58 VanDerWaalsContact C-N 3.31Å; P56-Y58 PolarHBondContact O-N 3.04Å; Y58-D60 PolarHBondContact O-N 2.83Å; Y58-E61 PolarHBondContact O-N 3.27Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.23Å; Y58-E62 HydrophobicContact CE1-CG 3.97Å; Y58-E62 HydrophobicContact CE2-CG 3.85Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CB 3.49Å; Y58-E62 WeakPolarHBondContact O-CG 3.5Å; Y58-E62 PolarHBondContact O-N 3.3Å; Y58-Y170 HydrophobicContact CE2-CE1 4.44Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.5Å; Y58-Y170 PolarHBondContact OH-OH 3.22Å
59W98.3Very high97.4Very high39 Ų3961.7 Ų61.715%0.14833%0.334CS..Hα-helixtrans-66.6-37.2-177.8-66.1112.1000113V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å; M44-W59 HydrophobicContact CB-CE3 4.33Å; M44-W59 HydrophobicContact CG-CE3 4.3Å; M44-W59 HydrophobicContact CG-CZ3 4.07Å; P46-W59 HydrophobicContact CB-CH2 3.61Å; P46-W59 HydrophobicContact CB-CZ2 3.94Å; P46-W59 HydrophobicContact CB-CZ3 4.5Å; P46-W59 HydrophobicContact CG-CH2 4.22Å; P46-W59 HydrophobicContact CG-CZ2 4.33Å; I51-W59 HydrophobicContact CB-CH2 4.48Å; I51-W59 HydrophobicContact CG1-CH2 3.81Å; I51-W59 HydrophobicContact CG1-CZ2 4.09Å; I51-W59 HydrophobicContact CG2-CH2 4Å; I51-W59 HydrophobicContact CG2-CZ2 4.38Å; I51-W59 WeakPolarHBondContact O-CZ2 3.37Å; E54-W59 HydrophobicContact CB-CZ2 4.31Å; E54-W59 PolarHBondContact O-NE1 2.73Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; G55-W59 PolarHBondContact O-N 3.02Å; P56-W59 PolarHBondContact O-N 2.88Å; W59-T63 WeakPolarHBondContact O-CB 3.4Å; W59-T63 PolarHBondContact O-N 2.91Å; W59-T63 PolarHBondContact O-OG1 2.81Å
60D98.3Very high97.5Very high93 Ų9357.7 Ų57.750%0.49731%0.308SS..Hα-helixtrans-69-41.2175.1-76.9-24.7000111.3P56 Y58 G64P56-D60 PolarHBondContact O-N 3.3Å; Y58-D60 PolarHBondContact O-N 2.83Å; D60-G64 PolarHBondContact O-N 2.83Å
61E97.9Very high97.6Very high108 Ų10861.2 Ų61.251%0.50533%0.325SS..Hα-helixtrans-63-51.2175.6-173-176.2168.300111.7E57 Y58 T63 G64 K65E57-E61 VanDerWaalsContact O-CB 3.28Å; E57-E61 WeakPolarHBondContact O-CB 3.32Å; E57-E61 PolarHBondContact O-N 2.71Å; Y58-E61 PolarHBondContact O-N 3.27Å; E61-T63 VanDerWaalsContact C-N 3.32Å; E61-T63 PolarHBondContact O-N 3.04Å; E61-G64 WeakPolarHBondContact O-CA 3.49Å; E61-G64 PolarHBondContact O-N 2.87Å; E61-G64 VanDerWaalsContact O-N 3.1Å; E61-K65 VanDerWaalsContact CD-NZ 3.33Å; E61-K65 HydrophobicContact CG-CD 4.38Å; E61-K65 WeakPolarHBondContact O-CG 3.31Å; E61-K65 PolarHBondContact O-N 3.24Å; E61-K65 WeakPolarHBondContact OE1-CE 3.5Å; E61-K65 IonicContact OE1-NZ 2.7Å; E61-K65 PolarHBondContact OE1-NZ 3.38Å
62E98Very high97.6Very high27 Ų2764.4 Ų64.413%0.12635%0.345CS..Hα-helixtrans-65-36.3179.5-68.9-53.7121.800111.9M44 Y58 K65 V66M44-E62 HydrophobicContact CB-CB 4.25Å; M44-E62 HydrophobicContact CG-CB 4.22Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.23Å; Y58-E62 HydrophobicContact CE1-CG 3.97Å; Y58-E62 HydrophobicContact CE2-CG 3.85Å; Y58-E62 HydrophobicContact CG-CG 4.47Å; Y58-E62 WeakPolarHBondContact O-CB 3.49Å; Y58-E62 WeakPolarHBondContact O-CG 3.5Å; Y58-E62 PolarHBondContact O-N 3.3Å; E62-K65 PolarHBondContact O-N 2.94Å; E62-K65 IonicContact OE1-NZ 3.4Å; E62-K65 PolarHBondContact OE1-NZ 2.88Å; E62-V66 WeakPolarHBondContact O-CB 3.44Å; E62-V66 WeakPolarHBondContact O-CG1 3.33Å; E62-V66 PolarHBondContact O-N 2.94Å
63T98.6Very high97.6Very high11 Ų1158.4 Ų58.47%0.06732%0.317CS..Hα-helixtrans-63.1-41.8171.3-64.50000111.5R43 M44 W59 E61 V66 K67R43-T63 HydrophobicContact CG-CG2 4.09Å; M44-T63 PolarHBondContact N-OG1 2.96Å; W59-T63 WeakPolarHBondContact O-CB 3.4Å; W59-T63 PolarHBondContact O-N 2.91Å; W59-T63 PolarHBondContact O-OG1 2.81Å; E61-T63 VanDerWaalsContact C-N 3.32Å; E61-T63 PolarHBondContact O-N 3.04Å; T63-V66 WeakPolarHBondContact O-CG1 3.18Å; T63-K67 HydrophobicContact CG2-CD 4.1Å; T63-K67 WeakPolarHBondContact O-CB 3.35Å; T63-K67 VanDerWaalsContact O-CG 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.28Å; T63-K67 PolarHBondContact O-N 3.12Å; T63-K67 VanDerWaalsContact O-N 3.08Å
64G98.4Very high97.7Very high40 Ų4055.4 Ų55.441%0.41230%0.3SS..Hα-helixtrans-61.8-49.5176.300000112D60 E61 K67 A68D60-G64 PolarHBondContact O-N 2.83Å; E61-G64 WeakPolarHBondContact O-CA 3.49Å; E61-G64 PolarHBondContact O-N 2.87Å; E61-G64 VanDerWaalsContact O-N 3.1Å; G64-K67 PolarHBondContact O-N 2.64Å; G64-A68 PolarHBondContact O-N 2.87Å
65K97.5Very high97.7Very high92 Ų9259.9 Ų59.940%0.432%0.321SS..Hα-helixtrans-59.1-48.9178-71.5172.8-174.3159.10112.1E61 E62 K67 A68 H69E61-K65 VanDerWaalsContact CD-NZ 3.33Å; E61-K65 HydrophobicContact CG-CD 4.38Å; E61-K65 WeakPolarHBondContact O-CG 3.31Å; E61-K65 PolarHBondContact O-N 3.24Å; E61-K65 WeakPolarHBondContact OE1-CE 3.5Å; E61-K65 IonicContact OE1-NZ 2.7Å; E61-K65 PolarHBondContact OE1-NZ 3.38Å; E62-K65 PolarHBondContact O-N 2.94Å; E62-K65 IonicContact OE1-NZ 3.4Å; E62-K65 PolarHBondContact OE1-NZ 2.88Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.8Å; K65-A68 PolarHBondContact O-N 3Å; K65-H69 PolarHBondContact O-N 3.29Å
66V98.3Very high97.7Very high10 Ų1060.5 Ų60.56%0.06132%0.316CS..Hα-helixtrans-68.7-33.3-177.275.70000112.3F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CE1-CG2 3.59Å; F21-V66 HydrophobicContact CZ-CG2 4.26Å; A23-V66 HydrophobicContact CB-CG2 3.84Å; F35-V66 HydrophobicContact CB-CG1 4.13Å; F35-V66 HydrophobicContact CB-CG2 3.81Å; F35-V66 HydrophobicContact CD1-CG1 4.32Å; F35-V66 HydrophobicContact CD1-CG2 3.93Å; F35-V66 HydrophobicContact CD2-CG1 3.36Å; F35-V66 HydrophobicContact CD2-CG2 4.34Å; F35-V66 HydrophobicContact CE2-CG1 3.75Å; F35-V66 HydrophobicContact CG-CB 4.41Å; F35-V66 HydrophobicContact CG-CG1 3.68Å; F35-V66 HydrophobicContact CG-CG2 3.77Å; F35-V66 HydrophobicContact CZ-CG1 4.38Å; M44-V66 HydrophobicContact CE-CB 3.76Å; M44-V66 HydrophobicContact CE-CG1 3.96Å; M44-V66 HydrophobicContact CE-CG2 3.93Å; E62-V66 WeakPolarHBondContact O-CB 3.44Å; E62-V66 WeakPolarHBondContact O-CG1 3.33Å; E62-V66 PolarHBondContact O-N 2.94Å; T63-V66 WeakPolarHBondContact O-CG1 3.18Å; V66-H69 PolarHBondContact O-N 3.32Å; V66-S70 WeakPolarHBondContact O-CB 3.39Å; V66-S70 PolarHBondContact O-N 2.99Å
67K98.3Very high97.7Very high81 Ų8156 Ų5635%0.35229%0.287SS..Hα-helixtrans-66.6-43.1172-77.5-178.7178.1177.30111.9F35 Q42 T63 G64 K65 H69 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4.16Å; Q42-K67 WeakPolarHBondContact O-CE 3.48Å; Q42-K67 PolarHBondContact O-NZ 2.8Å; T63-K67 HydrophobicContact CG2-CD 4.1Å; T63-K67 WeakPolarHBondContact O-CB 3.35Å; T63-K67 VanDerWaalsContact O-CG 3.3Å; T63-K67 WeakPolarHBondContact O-CG 3.28Å; T63-K67 PolarHBondContact O-N 3.12Å; T63-K67 VanDerWaalsContact O-N 3.08Å; G64-K67 PolarHBondContact O-N 2.64Å; K65-K67 VanDerWaalsContact C-N 3.34Å; K65-K67 PolarHBondContact O-N 2.8Å; K67-H69 VanDerWaalsContact C-N 3.33Å; K67-H69 PolarHBondContact O-N 2.81Å; K67-S70 WeakPolarHBondContact O-CB 3.39Å; K67-S70 PolarHBondContact O-N 2.97Å; K67-Q71 WeakPolarHBondContact O-CG 3.22Å; K67-Q71 PolarHBondContact O-N 2.99Å; K67-Q71 VanDerWaalsContact O-N 3.1Å
68A98.2Very high97.6Very high57 Ų5753.7 Ų53.747%0.47127%0.271SS..Hα-helixtrans-61-43.6175.200000111.4G64 K65 S70 Q71 T72G64-A68 PolarHBondContact O-N 2.87Å; K65-A68 PolarHBondContact O-N 3Å; A68-S70 PolarHBondContact O-N 2.9Å; A68-Q71 PolarHBondContact O-N 2.88Å; A68-T72 PolarHBondContact O-N 2.93Å; A68-T72 PolarHBondContact O-OG1 2.03Å
69H97.5Very high97.6Very high38 Ų3854.7 Ų54.718%0.17628%0.278CS..Hα-helixtrans-59.4-47.1174-174.4174000111.4S8 F21 K65 V66 K67 Q71 T72 D73 M96S8-H69 PolarHBondContact OG-CE1 3.27Å; S8-H69 VanDerWaalsContact OG-CE1 3.28Å; S8-H69 PolarHBondContact OG-NE2 2.91Å; F21-H69 AromaticContact CE2-CD2 3.93Å; F21-H69 HydrophobicContact CZ-CB 4.35Å; F21-H69 AromaticContact CZ-CG 3.94Å; K65-H69 PolarHBondContact O-N 3.29Å; V66-H69 PolarHBondContact O-N 3.32Å; K67-H69 VanDerWaalsContact C-N 3.33Å; K67-H69 PolarHBondContact O-N 2.81Å; H69-Q71 PolarHBondContact O-N 2.85Å; H69-T72 WeakPolarHBondContact O-CB 3.12Å; H69-T72 PolarHBondContact O-N 3.28Å; H69-D73 IonicContact CD2-OD1 2.72Å; H69-D73 PolarHBondContact CD2-OD1 2.86Å; H69-D73 IonicContact NE2-OD1 3.91Å; H69-D73 PolarHBondContact NE2-OD1 2.91Å; H69-D73 IonicContact NE2-OD2 3.46Å; H69-D73 PolarHBondContact O-N 2.8Å; H69-M96 VanDerWaalsContact CE1-CE 3.44Å; H69-M96 WeakPolarHBondContact CE1-CE 3.3Å; H69-M96 PolarHBondContact CE1-SD 3.32Å; H69-M96 WeakPolarHBondContact NE2-CE 3.37Å
70S97.8Very high97.5Very high19 Ų1953.1 Ų53.113%0.13327%0.273CS..Hα-helixtrans-56-37.3176.3174.80000113.4F21 V66 K67 A68 R74F21-S70 WeakPolarHBondContact CB-OG 3.39Å; F21-S70 VanDerWaalsContact CD2-CA 3.45Å; V66-S70 WeakPolarHBondContact O-CB 3.39Å; V66-S70 PolarHBondContact O-N 2.99Å; K67-S70 WeakPolarHBondContact O-CB 3.39Å; K67-S70 PolarHBondContact O-N 2.97Å; A68-S70 PolarHBondContact O-N 2.9Å; S70-R74 PolarHBondContact O-N 3.44Å; S70-R74 VanDerWaalsContact O-N 3.12Å
71Q97.6Very high97.4Very high88 Ų8850 Ų5041%0.41126%0.256SS..Hα-helixtrans-68.6-43.9174.3-63.8-56.1-38.800112.4K67 A68 H69 D73 R74 E75K67-Q71 WeakPolarHBondContact O-CG 3.22Å; K67-Q71 PolarHBondContact O-N 2.99Å; K67-Q71 VanDerWaalsContact O-N 3.1Å; A68-Q71 PolarHBondContact O-N 2.88Å; H69-Q71 PolarHBondContact O-N 2.85Å; Q71-D73 VanDerWaalsContact C-N 3.32Å; Q71-D73 PolarHBondContact O-N 2.88Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.85Å; Q71-E75 PolarHBondContact O-N 3.32Å; Q71-E75 VanDerWaalsContact O-N 3.15Å
72T97.3Very high97.3Very high67 Ų6752.9 Ų52.941%0.41126%0.263SS..Hα-helixtrans-59.2-43.5175.1-60.50000111.5A68 H69 R74 E75 N76A68-T72 PolarHBondContact O-N 2.93Å; A68-T72 PolarHBondContact O-OG1 2.03Å; H69-T72 WeakPolarHBondContact O-CB 3.12Å; H69-T72 PolarHBondContact O-N 3.28Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-R74 PolarHBondContact O-N 2.96Å; T72-E75 PolarHBondContact O-N 2.62Å; T72-E75 VanDerWaalsContact O-N 3.16Å; T72-N76 WeakPolarHBondContact CG2-ND2 3.29Å; T72-N76 WeakPolarHBondContact O-CB 3.39Å; T72-N76 PolarHBondContact O-N 3.18Å; T72-N76 PolarHBondContact O-ND2 3.04Å
73D97.4Very high97.3Very high0 Ų054 Ų540%027%0.266CS..Hα-helixtrans-64.2-38.4178-9419.7000112.9S10 F21 H69 Q71 E75 N76 L77 L94S10-D73 VanDerWaalsContact OG-CB 3.23Å; S10-D73 WeakPolarHBondContact OG-CB 3.4Å; S10-D73 PolarHBondContact OG-OD2 3.33Å; F21-D73 HydrophobicContact CD2-CB 4.17Å; F21-D73 HydrophobicContact CE2-CB 4.2Å; F21-D73 WeakPolarHBondContact CE2-OD2 2.94Å; H69-D73 IonicContact CD2-OD1 2.72Å; H69-D73 PolarHBondContact CD2-OD1 2.86Å; H69-D73 IonicContact NE2-OD1 3.91Å; H69-D73 PolarHBondContact NE2-OD1 2.91Å; H69-D73 IonicContact NE2-OD2 3.46Å; H69-D73 PolarHBondContact O-N 2.8Å; Q71-D73 VanDerWaalsContact C-N 3.32Å; Q71-D73 PolarHBondContact O-N 2.88Å; D73-E75 VanDerWaalsContact C-N 3.3Å; D73-E75 PolarHBondContact O-N 2.99Å; D73-N76 PolarHBondContact O-N 3.2Å; D73-L77 WeakPolarHBondContact O-CG 3.18Å; D73-L77 PolarHBondContact O-N 3.31Å; D73-L94 HydrophobicContact CB-CD2 4.28Å
74R96.9Very high97.2Very high61 Ų6156.5 Ų56.523%0.2328%0.275CS..Hα-helixtrans-58.8-43.2172.8175.917869.4156.51.4111.6E18 P19 S70 Q71 T72 R78E18-R74 VanDerWaalsContact CD-NH1 3.3Å; E18-R74 IonicContact OE1-CZ 3.06Å; E18-R74 IonicContact OE1-NH1 2.82Å; E18-R74 PolarHBondContact OE1-NH1 2.85Å; E18-R74 WeakPolarHBondContact OE2-CD 3.34Å; E18-R74 IonicContact OE2-NE 2.59Å; E18-R74 IonicContact OE2-NH1 2.93Å; E18-R74 PolarHBondContact OE2-NH1 3.43Å; P19-R74 HydrophobicContact CG-CB 4.47Å; P19-R74 HydrophobicContact CG-CG 4.18Å; S70-R74 PolarHBondContact O-N 3.44Å; S70-R74 VanDerWaalsContact O-N 3.12Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.85Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-R74 PolarHBondContact O-N 2.96Å; R74-R78 PolarHBondContact O-N 2.87Å
75E96.8Very high97.1Very high107 Ų10761.9 Ų61.950%0.529%0.294SS..Hα-helixtrans-69.2-41.1176.4-68-177.4-177.400111.8Q71 T72 D73 L77 R78 I79Q71-E75 PolarHBondContact O-N 3.32Å; Q71-E75 VanDerWaalsContact O-N 3.15Å; T72-E75 PolarHBondContact O-N 2.62Å; T72-E75 VanDerWaalsContact O-N 3.16Å; D73-E75 VanDerWaalsContact C-N 3.3Å; D73-E75 PolarHBondContact O-N 2.99Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.4Å; E75-R78 WeakPolarHBondContact O-CB 3.49Å; E75-R78 PolarHBondContact O-N 2.88Å; E75-R78 VanDerWaalsContact O-N 3.1Å; E75-I79 WeakPolarHBondContact O-CG1 3.27Å; E75-I79 PolarHBondContact O-N 3.44Å
76N97.1Very high97Very high46 Ų4660.5 Ų60.525%0.24629%0.289CS..Hα-helixtrans-61.2-39.6177.5-72.8-24.6000112.1T72 D73 R78 I79 A80 L94T72-N76 WeakPolarHBondContact CG2-ND2 3.29Å; T72-N76 WeakPolarHBondContact O-CB 3.39Å; T72-N76 PolarHBondContact O-N 3.18Å; T72-N76 PolarHBondContact O-ND2 3.04Å; D73-N76 PolarHBondContact O-N 3.2Å; N76-R78 VanDerWaalsContact C-N 3.32Å; N76-R78 PolarHBondContact O-N 3.04Å; N76-I79 PolarHBondContact O-N 2.74Å; N76-A80 WeakPolarHBondContact O-CB 3.37Å; N76-A80 PolarHBondContact O-N 3.25Å; N76-L94 HydrophobicContact CB-CD2 3.57Å
77L97.5Very high96.8Very high5 Ų563.8 Ų63.83%0.02631%0.312CS..Hα-helixtrans-58.2-42.9172.7-78.5168.3000111.9P19 D73 E75 A80 L81 H92 L94 Y117P19-L77 HydrophobicContact CB-CD1 3.75Å; P19-L77 HydrophobicContact CG-CD1 3.83Å; D73-L77 WeakPolarHBondContact O-CG 3.18Å; D73-L77 PolarHBondContact O-N 3.31Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.4Å; L77-A80 PolarHBondContact O-N 2.69Å; L77-L81 WeakPolarHBondContact O-CG 3.04Å; L77-L81 PolarHBondContact O-N 2.98Å; L77-L81 VanDerWaalsContact O-N 3.07Å; L77-H92 HydrophobicContact CD2-CB 4.28Å; L77-L94 HydrophobicContact CD2-CB 3.74Å; L77-L94 HydrophobicContact CG-CB 4.1Å; L77-Y117 HydrophobicContact CD2-CE2 4.09Å
78R95.8Very high96.5Very high116 Ų11667.9 Ų67.944%0.43833%0.332SS..Hα-helixtrans-67.7-35.2176.3-63.7172.9-175.41530.1112.3E18 R74 E75 N76 R82E18-R78 IonicContact OE2-NH2 3.84Å; R74-R78 PolarHBondContact O-N 2.87Å; E75-R78 WeakPolarHBondContact O-CB 3.49Å; E75-R78 PolarHBondContact O-N 2.88Å; E75-R78 VanDerWaalsContact O-N 3.1Å; N76-R78 VanDerWaalsContact C-N 3.32Å; N76-R78 PolarHBondContact O-N 3.04Å; R78-R82 PolarHBondContact O-N 2.93Å
79I96.2Very high96.2Very high43 Ų4369 Ų6922%0.22134%0.342CS..Hα-helixtrans-68.2-46.5175.6-69.9165.8000110.5E75 N76 L81 R82 Y83E75-I79 WeakPolarHBondContact O-CG1 3.27Å; E75-I79 PolarHBondContact O-N 3.44Å; N76-I79 PolarHBondContact O-N 2.74Å; I79-L81 PolarHBondContact O-N 3.19Å; I79-R82 PolarHBondContact O-N 2.99Å; I79-R82 VanDerWaalsContact O-N 3.13Å; I79-Y83 HydrophobicContact CG2-CD1 4.3Å; I79-Y83 HydrophobicContact CG2-CD2 3.93Å; I79-Y83 HydrophobicContact CG2-CE1 3.84Å; I79-Y83 HydrophobicContact CG2-CE2 3.42Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.42Å; I79-Y83 HydrophobicContact CG2-CG 4.34Å; I79-Y83 PolarHBondContact O-N 2.91Å
80A96.4Very high95.9Very high6 Ų668.4 Ų68.45%0.0535%0.346CS..Hα-helixtrans-59.4-46.8179.500000111.3N76 L77 R82 Y83 Y84 Y117N76-A80 WeakPolarHBondContact O-CB 3.37Å; N76-A80 PolarHBondContact O-N 3.25Å; L77-A80 PolarHBondContact O-N 2.69Å; A80-R82 PolarHBondContact O-N 2.9Å; A80-R82 VanDerWaalsContact O-N 3.17Å; A80-Y83 PolarHBondContact O-N 2.8Å; A80-Y84 HydrophobicContact CB-CD2 4.47Å; A80-Y84 VanDerWaalsContact O-CD2 3.28Å; A80-Y84 WeakPolarHBondContact O-CD2 3.31Å; A80-Y84 PolarHBondContact O-N 3.36Å; A80-Y117 HydrophobicContact CB-CD1 4.37Å; A80-Y117 HydrophobicContact CB-CD2 4.01Å; A80-Y117 HydrophobicContact CB-CE1 4Å; A80-Y117 HydrophobicContact CB-CE2 3.63Å; A80-Y117 HydrophobicContact CB-CG 4.36Å
81L96.1Very high95.9Very high27 Ų2771.2 Ų71.214%0.14137%0.365CS..Hα-helixtrans-47.8-46.1173.1-82.8172.2000112.4L77 I79 N85 Q86 H92L77-L81 WeakPolarHBondContact O-CG 3.04Å; L77-L81 PolarHBondContact O-N 2.98Å; L77-L81 VanDerWaalsContact O-N 3.07Å; I79-L81 PolarHBondContact O-N 3.19Å; L81-N85 PolarHBondContact O-N 3.43Å; L81-N85 VanDerWaalsContact O-N 3.08Å; L81-Q86 HydrophobicContact CD2-CB 3.64Å; L81-Q86 PolarHBondContact O-N 3.17Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.49Å; L81-H92 VanDerWaalsContact CD2-NE2 3.34Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.38Å
82R96.3Very high95.9Very high170 Ų17067.7 Ų67.764%0.64235%0.349SS*.Hα-helixtrans-70.1-42.2178.8-68.4-174.4-64.8-141.7-0.7112.8R78 I79 A80 Y84 N85R78-R82 PolarHBondContact O-N 2.93Å; I79-R82 PolarHBondContact O-N 2.99Å; I79-R82 VanDerWaalsContact O-N 3.13Å; A80-R82 PolarHBondContact O-N 2.9Å; A80-R82 VanDerWaalsContact O-N 3.17Å; R82-Y84 VanDerWaalsContact C-N 3.27Å; R82-Y84 PolarHBondContact O-N 2.83Å; R82-N85 PolarHBondContact O-N 3.5Å; R82-N85 PolarHBondContact O-OD1 3.13Å
83Y97.1Very high96Very high50 Ų5066.3 Ų66.320%0.19634%0.341CS..Hα-helixtrans-64.8-33.9179.8-69.1-10.3000112.7I79 A80 I141 K145I79-Y83 HydrophobicContact CG2-CD1 4.3Å; I79-Y83 HydrophobicContact CG2-CD2 3.93Å; I79-Y83 HydrophobicContact CG2-CE1 3.84Å; I79-Y83 HydrophobicContact CG2-CE2 3.42Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.42Å; I79-Y83 HydrophobicContact CG2-CG 4.34Å; I79-Y83 PolarHBondContact O-N 2.91Å; A80-Y83 PolarHBondContact O-N 2.8Å; Y83-I141 HydrophobicContact CD1-CD1 4.05Å; Y83-I141 HydrophobicContact CD2-CD1 4.49Å; Y83-I141 HydrophobicContact CE1-CD1 4.23Å; Y83-I141 HydrophobicContact CE1-CG2 4Å; Y83-I141 HydrophobicContact CE2-CB 4.09Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.2Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.37Å; Y83-K145 PolarHBondContact OH-NZ 3.05Å
84Y97Very high96Very high64 Ų6466.7 Ų66.725%0.25134%0.342SS..THydrogen-bonded Turntrans-93.51.4178.8-70-73.1000113.9A80 R82 Q86 Y117 Y122 D136 A138A80-Y84 HydrophobicContact CB-CD2 4.47Å; A80-Y84 VanDerWaalsContact O-CD2 3.28Å; A80-Y84 WeakPolarHBondContact O-CD2 3.31Å; A80-Y84 PolarHBondContact O-N 3.36Å; R82-Y84 VanDerWaalsContact C-N 3.27Å; R82-Y84 PolarHBondContact O-N 2.83Å; Y84-Q86 PolarHBondContact O-N 2.94Å; Y84-Y117 AromaticContact CD2-CD1 3.76Å; Y84-Y117 HydrophobicContact CD2-CD1 3.76Å; Y84-Y117 AromaticContact CD2-CE1 3.54Å; Y84-Y117 HydrophobicContact CD2-CE1 3.54Å; Y84-Y117 AromaticContact CE2-CD1 3.52Å; Y84-Y117 HydrophobicContact CE2-CD1 3.52Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.45Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Y84-Y122 HydrophobicContact CE2-CD2 4.35Å; Y84-Y122 HydrophobicContact CE2-CE2 4.01Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.37Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.39Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 2.93Å; Y84-D136 PolarHBondContact OH-OD2 2.86Å; Y84-A138 HydrophobicContact CD1-CB 4.08Å; Y84-A138 HydrophobicContact CD2-CB 4.36Å; Y84-A138 HydrophobicContact CE1-CB 3.57Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å; Y84-A138 HydrophobicContact CG-CB 4.45Å; Y84-A138 VanDerWaalsContact CZ-CB 3.45Å
85N96Very high96.1Very high152 Ų15267.3 Ų67.381%0.81335%0.348SS*.THydrogen-bonded Turntrans5241.4-176-56.8-58.7000113L81 R82L81-N85 PolarHBondContact O-N 3.43Å; L81-N85 VanDerWaalsContact O-N 3.08Å; R82-N85 PolarHBondContact O-N 3.5Å; R82-N85 PolarHBondContact O-OD1 3.13Å
86Q96.1Very high96.2Very high64 Ų6462.9 Ų62.930%0.29933%0.328SS..  trans-89.9155.3-178.3-72.3165.6-38.800111.8L81 Y84 H92 Y117 D118L81-Q86 HydrophobicContact CD2-CB 3.64Å; L81-Q86 PolarHBondContact O-N 3.17Å; Y84-Q86 PolarHBondContact O-N 2.94Å; Q86-H92 PolarHBondContact NE2-CE1 3.49Å; Q86-Y117 PolarHBondContact OE1-OH 3.23Å; Q86-D118 PolarHBondContact NE2-OD2 3.27Å
87S93.5Very high96.3Very high79 Ų7961.8 Ų61.855%0.55232%0.321SS*.  trans-76143.7177.61730000111.9A89 G90S87-A89 PolarHBondContact O-N 2.89Å; S87-A89 PolarHBondContact OG-N 3.25Å; S87-G90 PolarHBondContact O-N 2.82Å
88E91.3Very high96.3Very high166 Ų16663.2 Ų63.278%0.77633%0.327SS*.THydrogen-bonded Turntrans-67.3-13.1174.1-61.9-172.6170.300113.6P14 G90P14-E88 VanDerWaalsContact CB-O 3.29Å; P14-E88 WeakPolarHBondContact CB-O 3.24Å; P14-E88 WeakPolarHBondContact CG-O 3.29Å; E88-G90 VanDerWaalsContact C-N 3.28Å
89A92.1Very high96.5Very high81 Ų8157.7 Ų57.767%0.66931%0.307SS*.THydrogen-bonded Turntrans-76-16.7176.800000113.1S87S87-A89 PolarHBondContact O-N 2.89Å; S87-A89 PolarHBondContact OG-N 3.25Å
90G92.7Very high96.6Very high25 Ų2555.7 Ų55.726%0.25830%0.296SS..SBendtrans-79.4139.7-179.200000113.2P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.43Å; S87-G90 PolarHBondContact O-N 2.82Å; E88-G90 VanDerWaalsContact C-N 3.28Å; G90-H92 PolarHBondContact O-CD2 2.94Å
91S96.9Very high96.7Very high78 Ų7856.6 Ų56.655%0.54530%0.3SS..  trans-81.3130.5164.7-176.50000108.6S12S12-S91 PolarHBondContact O-OG 2.89Å
92H98.1Very high96.8Very high15 Ų1555.4 Ų55.47%0.06929%0.294CS..  trans-130152.2-177.2-66-78.3000110.6V11 S12 L77 L81 Q86 G90 Y117 D118V11-H92 WeakPolarHBondContact CA-O 3.46Å; S12-H92 PolarHBondContact N-O 3.43Å; S12-H92 PolarHBondContact OG-N 3.35Å; S12-H92 PolarHBondContact OG-O 2.87Å; L77-H92 HydrophobicContact CD2-CB 4.28Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.49Å; L81-H92 VanDerWaalsContact CD2-NE2 3.34Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.38Å; Q86-H92 PolarHBondContact NE2-CE1 3.49Å; G90-H92 PolarHBondContact O-CD2 2.94Å; H92-Y117 HydrophobicContact CB-CE2 3.91Å; H92-Y117 WeakPolarHBondContact CB-OH 3.13Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.86Å; H92-Y117 PolarHBondContact ND1-OH 3.1Å; H92-D118 WeakPolarHBondContact CA-OD1 3.46Å; H92-D118 WeakPolarHBondContact CB-OD1 3.29Å; H92-D118 IonicContact CE1-OD2 3.27Å; H92-D118 IonicContact CG-OD1 3.76Å; H92-D118 IonicContact CG-OD2 3.14Å; H92-D118 IonicContact ND1-OD1 3.67Å; H92-D118 PolarHBondContact ND1-OD1 2.88Å; H92-D118 IonicContact ND1-OD2 3.83Å; H92-D118 PolarHBondContact ND1-OD2 3.18Å
93T98.6Very high96.8Very high38 Ų3847.7 Ų47.723%0.23327%0.268CS..EExtended strand (participates in β ladder)trans-123.4126.2-175.3-56.80000110T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.83Å; S10-T93 CarbonylContact O-C 3.6Å; S10-T93 WeakPolarHBondContact O-CA 3.46Å; V11-T93 HydrophobicContact CG2-CG2 4.26Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; T93-Y117 CarbonylContact O-C 3.54Å; T93-Y117 WeakPolarHBondContact O-CA 3.36Å; T93-Y117 WeakPolarHBondContact O-CD2 3.45Å; T93-D118 PolarHBondContact N-OD1 3.19Å; T93-D118 PolarHBondContact O-N 3.24Å
94L98.7Very high96.6Very high7 Ų751.1 Ų51.14%0.03730%0.299CS..EExtended strand (participates in β ladder)trans-110.5131.1168.5-17669.5000108.2T9 S10 D73 N76 L77 Y115 Y117T9-L94 WeakPolarHBondContact CA-O 3.45Å; S10-L94 PolarHBondContact N-O 3.26Å; S10-L94 PolarHBondContact O-N 2.81Å; D73-L94 HydrophobicContact CB-CD2 4.28Å; N76-L94 HydrophobicContact CB-CD2 3.57Å; L77-L94 HydrophobicContact CD2-CB 3.74Å; L77-L94 HydrophobicContact CG-CB 4.1Å; L94-Y115 HydrophobicContact CD1-CD1 3.99Å; L94-Y115 HydrophobicContact CD2-CD1 4.46Å; L94-Y115 HydrophobicContact CD2-CE1 4.46Å; L94-Y115 HydrophobicContact CG-CD1 4.23Å; L94-Y117 HydrophobicContact CD1-CD2 4.31Å
95Q98.8Very high96.4Very high75 Ų7552.1 Ų52.135%0.3531%0.309SS..EExtended strand (participates in β ladder)trans-125.1143178.3-61.5172.7-91.700109S8 T9 T93 Y115 A116S8-Q95 WeakPolarHBondContact O-CA 3.37Å; T9-Q95 HydrophobicContact CG2-CG 4.07Å; T93-Q95 HydrophobicContact CG2-CG 3.9Å; Q95-Y115 CarbonylContact O-C 3.53Å; Q95-Y115 WeakPolarHBondContact O-CA 3.41Å; Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3Å; Q95-A116 PolarHBondContact O-N 3.17Å
96M98.4Very high96.3Very high14 Ų1445.6 Ų45.67%0.06928%0.277CS..EExtended strand (participates in β ladder)trans-128.4141.3171.5-172.8-150.1-86.100109.2F7 S8 H69 F98 Q114 Y115F7-M96 WeakPolarHBondContact CA-O 3.3Å; S8-M96 PolarHBondContact N-O 3.12Å; S8-M96 PolarHBondContact O-N 2.71Å; S8-M96 VanDerWaalsContact O-N 3.09Å; S8-M96 WeakPolarHBondContact OG-CB 3.27Å; H69-M96 VanDerWaalsContact CE1-CE 3.44Å; H69-M96 WeakPolarHBondContact CE1-CE 3.3Å; H69-M96 PolarHBondContact CE1-SD 3.32Å; H69-M96 WeakPolarHBondContact NE2-CE 3.37Å; M96-F98 HydrophobicContact CG-CD1 4.39Å; M96-F98 HydrophobicContact SD-CD1 3.37Å; M96-F98 WeakPolarHBondContact SD-CD1 3.4Å; M96-F98 HydrophobicContact SD-CE1 3.87Å; M96-F98 HydrophobicContact SD-CG 4.29Å; M96-Q114 CarbonylContact C-O 3.44Å; M96-Q114 VanDerWaalsContact CA-O 3.32Å; M96-Q114 WeakPolarHBondContact CA-O 3.34Å; M96-Y115 HydrophobicContact CB-CD1 3.99Å; M96-Y115 HydrophobicContact CB-CE1 4Å; M96-Y115 HydrophobicContact CB-CG 4.42Å; M96-Y115 HydrophobicContact CE-CE1 3.65Å; M96-Y115 HydrophobicContact CE-CE2 3.68Å; M96-Y115 WeakPolarHBondContact CE-OH 3.14Å; M96-Y115 HydrophobicContact CG-CD1 4.24Å; M96-Y115 HydrophobicContact CG-CD2 4.14Å; M96-Y115 HydrophobicContact CG-CE1 4.06Å; M96-Y115 HydrophobicContact CG-CE2 3.91Å; M96-Y115 HydrophobicContact CG-CG 4.34Å
97M98.6Very high96.4Very high23 Ų2350.4 Ų50.411%0.11329%0.293CS..EExtended strand (participates in β ladder)trans-126.3132162.2-177.5-81.1-76.500109.3Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.48Å; F7-M97 HydrophobicContact CD1-CB 3.88Å; F7-M97 HydrophobicContact CD1-CG 3.65Å; F7-M97 HydrophobicContact CE1-CB 4.02Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CG-CG 4.45Å; F7-M97 HydrophobicContact CZ-CG 3.96Å; M97-Y112 HydrophobicContact CE-CD1 4.18Å; M97-Y112 HydrophobicContact CE-CG 4.14Å; M97-Y112 HydrophobicContact SD-CG 4.39Å; M97-H113 WeakPolarHBondContact O-CA 3.41Å; M97-Q114 HydrophobicContact CB-CG 4.08Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.97Å; M97-Q114 PolarHBondContact N-O 3.14Å; M97-Q114 PolarHBondContact O-N 2.7Å
98F98.4Very high96.6Very high35 Ų3549.5 Ų49.515%0.15428%0.279CS..EExtended strand (participates in β ladder)trans-143.8157.6170.871.6-81000111.1Y6 M96 Y112 H113 Y158Y6-F98 VanDerWaalsContact CB-CE1 3.42Å; Y6-F98 HydrophobicContact CD2-CD2 4.33Å; Y6-F98 HydrophobicContact CD2-CE1 4.45Å; Y6-F98 AromaticContact CD2-CE2 3.62Å; Y6-F98 HydrophobicContact CD2-CE2 3.62Å; Y6-F98 AromaticContact CD2-CZ 3.7Å; Y6-F98 HydrophobicContact CD2-CZ 3.7Å; Y6-F98 HydrophobicContact CE2-CE2 4.34Å; Y6-F98 HydrophobicContact CG-CE1 4.17Å; Y6-F98 HydrophobicContact CG-CE2 4.13Å; Y6-F98 AromaticContact CG-CZ 3.72Å; Y6-F98 HydrophobicContact CG-CZ 3.72Å; Y6-F98 PolarHBondContact N-O 3.35Å; Y6-F98 PolarHBondContact O-N 3.49Å; M96-F98 HydrophobicContact CG-CD1 4.39Å; M96-F98 HydrophobicContact SD-CD1 3.37Å; M96-F98 WeakPolarHBondContact SD-CD1 3.4Å; M96-F98 HydrophobicContact SD-CE1 3.87Å; M96-F98 HydrophobicContact SD-CG 4.29Å; F98-Y112 WeakPolarHBondContact CA-O 3.24Å; F98-Y112 WeakPolarHBondContact CB-O 3.47Å; F98-H113 HydrophobicContact CB-CB 4.41Å; F98-Y158 AromaticContact CD2-CE1 3.8Å; F98-Y158 HydrophobicContact CD2-CE1 3.8Å; F98-Y158 AromaticContact CE2-CE1 3.72Å; F98-Y158 HydrophobicContact CE2-CE1 3.72Å; F98-Y158 AromaticContact CE2-CZ 3.92Å
99G98.6Very high96.9Very high0 Ų046.8 Ų46.80%027%0.269CS..EExtended strand (participates in β ladder)trans158.8-178.3-179.300000113.8M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.6Å; M4-G99 WeakPolarHBondContact O-CA 3.48Å; G99-G111 CarbonylContact O-C 3.53Å; G99-G111 WeakPolarHBondContact O-CA 3.29Å; G99-Y112 PolarHBondContact N-O 3.29Å; G99-Y112 PolarHBondContact O-N 3.43Å; G99-L159 VanDerWaalsContact O-CD2 3.22Å; G99-L159 WeakPolarHBondContact O-CD2 3.25Å
100C98.8Very high97.2Very high0 Ų047.4 Ų47.40%025%0.254CS..EExtended strand (participates in β ladder)trans-135.4152.1-174.4560000111.6S3 M4 F108 R110 C163S3-C100 WeakPolarHBondContact CA-O 3.44Å; M4-C100 PolarHBondContact N-O 3.42Å; M4-C100 PolarHBondContact O-N 3.08Å; C100-F108 HydrophobicContact CB-CD2 4.39Å; C100-F108 HydrophobicContact CB-CE2 4.13Å; C100-R110 CarbonylContact C-O 3.57Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.04Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.32Å; C100-C163 PolarHBondContact N-SG 3.06Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 PolarHBondContact SG-O 3.11Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.08Å
101D98.6Very high97.5Very high26 Ų2646.5 Ų46.514%0.13925%0.245CC..EExtended strand (participates in β ladder)trans-113141.7172.9-59.3-15.2000109.3H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.33Å; S3-D101 WeakPolarHBondContact CB-OD1 3.35Å; R5-D101 IonicContact CZ-OD1 3.6Å; R5-D101 IonicContact NE-OD1 2.73Å; R5-D101 PolarHBondContact NE-OD1 2.89Å; R5-D101 VanDerWaalsContact NH2-CG 3.31Å; R5-D101 IonicContact NH2-OD1 3.64Å; R5-D101 PolarHBondContact NH2-OD1 3.28Å; R5-D101 IonicContact NH2-OD2 3.2Å; R5-D101 PolarHBondContact NH2-OD2 2.91Å; R5-D101 VanDerWaalsContact NH2-OD2 3.11Å; D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 3.12Å; D101-R110 HydrophobicContact CB-CB 4.3Å; D101-R110 PolarHBondContact N-O 3.2Å; D101-R110 PolarHBondContact O-N 2.73Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.47Å; D101-Y112 PolarHBondContact OD2-OH 2.96Å
102V98.4Very high97.5Very high1 Ų144.7 Ų44.71%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-125.4147.3175.7-60.40000111.9S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.38Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.34Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.37Å; H2-V102 PolarHBondContact O-N 3.07Å; V102-R107 CarbonylContact C-O 3.55Å; V102-R107 WeakPolarHBondContact CA-O 3.49Å; V102-R107 WeakPolarHBondContact CB-O 3.42Å; V102-V164 HydrophobicContact CG1-CB 4.43Å; V102-V164 HydrophobicContact CG1-CG1 3.96Å; V102-V164 HydrophobicContact CG1-CG2 4.07Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.59Å; V102-L167 HydrophobicContact CG2-CG 4.23Å
103G96.9Very high97.6Very high9 Ų944.4 Ų44.49%0.09323%0.225CC..  trans-67.7173.317400000112D105 G106 R107G103-D105 PolarHBondContact O-N 2.94Å; G103-G106 WeakPolarHBondContact O-CA 3.45Å; G103-G106 PolarHBondContact O-N 3.2Å; G103-R107 PolarHBondContact N-O 3.18Å
104S92.6Very high97.6Very high122 Ų12245.9 Ų45.985%0.85323%0.229SC*.THydrogen-bonded Turntrans-61.6-23.617147.80000112.8G106S104-G106 PolarHBondContact O-N 3.3Å
105D93.5Very high97.6Very high85 Ų8546.7 Ų46.746%0.45523%0.232SC..THydrogen-bonded Turntrans-83.44.5171.962.35.6000113.4G103 R107G103-D105 PolarHBondContact O-N 2.94Å; D105-R107 PolarHBondContact O-N 3.05Å; D105-R107 WeakPolarHBondContact OD1-CB 3.34Å; D105-R107 PolarHBondContact OD1-N 3.22Å; D105-R107 IonicContact OD1-NE 2.72Å; D105-R107 IonicContact OD2-CZ 3.61Å; D105-R107 IonicContact OD2-NE 3.66Å; D105-R107 PolarHBondContact OD2-NE 3.08Å; D105-R107 IonicContact OD2-NH2 3.14Å; D105-R107 PolarHBondContact OD2-NH2 3.19Å
106G93.5Very high97.6Very high15 Ų1544 Ų4416%0.15522%0.222CC..SBendtrans71.76.6-179.100000114.5G103 S104 R168G103-G106 WeakPolarHBondContact O-CA 3.45Å; G103-G106 PolarHBondContact O-N 3.2Å; S104-G106 PolarHBondContact O-N 3.3Å; G106-R168 VanDerWaalsContact O-CZ 3.24Å; G106-R168 PolarHBondContact O-NE 2.96Å; G106-R168 PolarHBondContact O-NH2 2.96Å
107R96.8Very high97.6Very high165 Ų16543.8 Ų43.862%0.62322%0.221SC*.  trans-80.1148.1177.8-67.8-170.4-69.2173.3-4.1111.4V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.55Å; V102-R107 WeakPolarHBondContact CA-O 3.49Å; V102-R107 WeakPolarHBondContact CB-O 3.42Å; G103-R107 PolarHBondContact N-O 3.18Å; D105-R107 PolarHBondContact O-N 3.05Å; D105-R107 WeakPolarHBondContact OD1-CB 3.34Å; D105-R107 PolarHBondContact OD1-N 3.22Å; D105-R107 IonicContact OD1-NE 2.72Å; D105-R107 IonicContact OD2-CZ 3.61Å; D105-R107 IonicContact OD2-NE 3.66Å; D105-R107 PolarHBondContact OD2-NE 3.08Å; D105-R107 IonicContact OD2-NH2 3.14Å; D105-R107 PolarHBondContact OD2-NH2 3.19Å; R107-L109 PolarHBondContact O-N 2.88Å
108F98.4Very high97.5Very high59 Ų5945.7 Ų45.726%0.25923%0.231SC..EExtended strand (participates in β ladder)trans-54.8131.1175.4-179.4-100000111.4C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.39Å; C100-F108 HydrophobicContact CB-CE2 4.13Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.09Å; F108-G111 VanDerWaalsContact CZ-N 3.3Å; F108-L129 HydrophobicContact CE1-CD1 3.91Å; F108-L129 HydrophobicContact CZ-CD1 3.64Å; F108-L159 HydrophobicContact CE2-CB 4.46Å; F108-L159 WeakPolarHBondContact CE2-O 3.44Å; F108-E160 HydrophobicContact CD1-CG 4.15Å; F108-E160 HydrophobicContact CD2-CG 4.49Å; F108-E160 HydrophobicContact CE1-CG 4Å; F108-E160 HydrophobicContact CE2-CG 4.35Å; F108-E160 HydrophobicContact CG-CG 4.39Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; F108-V164 HydrophobicContact CB-CG2 4.04Å; F108-V164 HydrophobicContact CD2-CG2 3.67Å; F108-V164 HydrophobicContact CG-CG2 4.34Å
109L97.9Very high97.5Very high110 Ų11046.8 Ų46.858%0.57625%0.253SS*.EExtended strand (participates in β ladder)trans-112.3-47.2174.1-67-179000111.9D101 R107D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 3.12Å; R107-L109 PolarHBondContact O-N 2.88Å
110R98Very high97.5Very high94 Ų9454.6 Ų54.636%0.35529%0.286SS..EExtended strand (participates in β ladder)trans-156148.9-172.1-172.3162.5171140.97.6111.3C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.57Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.04Å; D101-R110 HydrophobicContact CB-CB 4.3Å; D101-R110 PolarHBondContact N-O 3.2Å; D101-R110 PolarHBondContact O-N 2.73Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.09Å; R110-Y112 HydrophobicContact CB-CE2 4.22Å; R110-Y112 WeakPolarHBondContact CD-OH 3.28Å; R110-Y112 HydrophobicContact CG-CE1 4.15Å; R110-Y112 HydrophobicContact CG-CE2 3.8Å; R110-Y112 PolarHBondContact NE-OH 3.28Å; R110-E127 IonicContact CZ-OE1 3.13Å; R110-E127 IonicContact NH1-OE1 2.69Å; R110-E127 PolarHBondContact NH1-OE1 2.91Å; R110-E127 IonicContact NH1-OE2 3.87Å; R110-E127 IonicContact NH2-OE1 3.08Å; R110-E127 PolarHBondContact NH2-OE1 3.19Å
111G98.3Very high97.5Very high5 Ų560.6 Ų60.65%0.05232%0.319CS..EExtended strand (participates in β ladder)trans-126.2151.5175.300000110.6G99 F108G99-G111 CarbonylContact O-C 3.53Å; G99-G111 WeakPolarHBondContact O-CA 3.29Å; F108-G111 VanDerWaalsContact CZ-N 3.3Å
112Y98.6Very high97.5Very high40 Ų4060.2 Ų60.216%0.15732%0.316CS..EExtended strand (participates in β ladder)trans-133.4140.3-179-51.7-97.6000109.2R5 M97 F98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 3.41Å; M97-Y112 HydrophobicContact CE-CD1 4.18Å; M97-Y112 HydrophobicContact CE-CG 4.14Å; M97-Y112 HydrophobicContact SD-CG 4.39Å; F98-Y112 WeakPolarHBondContact CA-O 3.24Å; F98-Y112 WeakPolarHBondContact CB-O 3.47Å; G99-Y112 PolarHBondContact N-O 3.29Å; G99-Y112 PolarHBondContact O-N 3.43Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.47Å; D101-Y112 PolarHBondContact OD2-OH 2.96Å; R110-Y112 HydrophobicContact CB-CE2 4.22Å; R110-Y112 WeakPolarHBondContact CD-OH 3.28Å; R110-Y112 HydrophobicContact CG-CE1 4.15Å; R110-Y112 HydrophobicContact CG-CE2 3.8Å; R110-Y112 PolarHBondContact NE-OH 3.28Å
113H98.5Very high97.5Very high9 Ų960.3 Ų60.34%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-155.7105.1168.9-170103000107.8M97 F98 Y115 L125 W132 Q155M97-H113 WeakPolarHBondContact O-CA 3.41Å; F98-H113 HydrophobicContact CB-CB 4.41Å; H113-Y115 AromaticContact CD2-CE2 3.93Å; H113-Y115 AromaticContact NE2-CE2 3.38Å; H113-Y115 WeakPolarHBondContact NE2-CE2 3.19Å; H113-L125 HydrophobicContact CB-CB 3.97Å; H113-L125 HydrophobicContact CB-CD2 4.12Å; H113-L125 WeakPolarHBondContact O-CB 3.4Å; H113-L125 PolarHBondContact O-N 2.92Å; H113-W132 AromaticContact CD2-CH2 3.77Å; H113-W132 AromaticContact CD2-CZ3 3.91Å; H113-Q155 VanDerWaalsContact CE1-CD 3.45Å; H113-Q155 PolarHBondContact CE1-OE1 3.04Å; H113-Q155 VanDerWaalsContact CE1-OE1 3.23Å; H113-Q155 PolarHBondContact ND1-OE1 3.21Å
114Q98.6Very high97.6Very high70 Ų7061.4 Ų61.433%0.32732%0.324SS..EExtended strand (participates in β ladder)trans-144.2147.2-172.261.5-170.660.700111.8M96 M97 I123 A124M96-Q114 CarbonylContact C-O 3.44Å; M96-Q114 VanDerWaalsContact CA-O 3.32Å; M96-Q114 WeakPolarHBondContact CA-O 3.34Å; M97-Q114 HydrophobicContact CB-CG 4.08Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.97Å; M97-Q114 PolarHBondContact N-O 3.14Å; M97-Q114 PolarHBondContact O-N 2.7Å; Q114-I123 CarbonylContact C-O 3.52Å; Q114-I123 WeakPolarHBondContact CA-O 3.29Å; Q114-A124 HydrophobicContact CB-CB 3.84Å
115Y98.6Very high97.9Very high24 Ų2456.3 Ų56.39%0.09429%0.287CS..EExtended strand (participates in β ladder)trans-121.5147.6176-73.1-106.4000111L94 Q95 M96 H113 Y122 I123 W146L94-Y115 HydrophobicContact CD1-CD1 3.99Å; L94-Y115 HydrophobicContact CD2-CD1 4.46Å; L94-Y115 HydrophobicContact CD2-CE1 4.46Å; L94-Y115 HydrophobicContact CG-CD1 4.23Å; Q95-Y115 CarbonylContact O-C 3.53Å; Q95-Y115 WeakPolarHBondContact O-CA 3.41Å; M96-Y115 HydrophobicContact CB-CD1 3.99Å; M96-Y115 HydrophobicContact CB-CE1 4Å; M96-Y115 HydrophobicContact CB-CG 4.42Å; M96-Y115 HydrophobicContact CE-CE1 3.65Å; M96-Y115 HydrophobicContact CE-CE2 3.68Å; M96-Y115 WeakPolarHBondContact CE-OH 3.14Å; M96-Y115 HydrophobicContact CG-CD1 4.24Å; M96-Y115 HydrophobicContact CG-CD2 4.14Å; M96-Y115 HydrophobicContact CG-CE1 4.06Å; M96-Y115 HydrophobicContact CG-CE2 3.91Å; M96-Y115 HydrophobicContact CG-CG 4.34Å; H113-Y115 AromaticContact CD2-CE2 3.93Å; H113-Y115 AromaticContact NE2-CE2 3.38Å; H113-Y115 WeakPolarHBondContact NE2-CE2 3.19Å; Y115-Y122 WeakPolarHBondContact O-CB 3.34Å; Y115-Y122 PolarHBondContact O-N 3.4Å; Y115-I123 HydrophobicContact CD2-CG2 4.28Å; Y115-I123 PolarHBondContact N-O 3.15Å; Y115-I123 PolarHBondContact O-N 2.94Å; Y115-W146 AromaticContact CD2-CH2 3.9Å; Y115-W146 HydrophobicContact CD2-CH2 3.9Å; Y115-W146 AromaticContact CE2-CH2 3.47Å; Y115-W146 HydrophobicContact CE2-CH2 3.47Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.47Å; Y115-W146 HydrophobicContact CE2-CZ2 4.29Å; Y115-W146 HydrophobicContact CE2-CZ3 4.36Å
116A98.8Very high98.1Very high17 Ų1756.4 Ų56.414%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-125.7145.8167.800000110.1Q95 K120Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3Å; Q95-A116 PolarHBondContact O-N 3.17Å; A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.43Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å
117Y98.6Very high98.3Very high11 Ų1162.1 Ų62.14%0.04331%0.306CS..EExtended strand (participates in β ladder)trans-125.6128.1177-175.9-115.8000109.7L77 A80 Y84 Q86 H92 T93 L94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.09Å; A80-Y117 HydrophobicContact CB-CD1 4.37Å; A80-Y117 HydrophobicContact CB-CD2 4.01Å; A80-Y117 HydrophobicContact CB-CE1 4Å; A80-Y117 HydrophobicContact CB-CE2 3.63Å; A80-Y117 HydrophobicContact CB-CG 4.36Å; Y84-Y117 AromaticContact CD2-CD1 3.76Å; Y84-Y117 HydrophobicContact CD2-CD1 3.76Å; Y84-Y117 AromaticContact CD2-CE1 3.54Å; Y84-Y117 HydrophobicContact CD2-CE1 3.54Å; Y84-Y117 AromaticContact CE2-CD1 3.52Å; Y84-Y117 HydrophobicContact CE2-CD1 3.52Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.45Å; Y84-Y117 HydrophobicContact CG-CE1 4.36Å; Q86-Y117 PolarHBondContact OE1-OH 3.23Å; H92-Y117 HydrophobicContact CB-CE2 3.91Å; H92-Y117 WeakPolarHBondContact CB-OH 3.13Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.86Å; H92-Y117 PolarHBondContact ND1-OH 3.1Å; T93-Y117 CarbonylContact O-C 3.54Å; T93-Y117 WeakPolarHBondContact O-CA 3.36Å; T93-Y117 WeakPolarHBondContact O-CD2 3.45Å; L94-Y117 HydrophobicContact CD1-CD2 4.31Å; Y117-G119 PolarHBondContact O-N 3.22Å; Y117-K120 PolarHBondContact N-O 3.2Å; Y117-K120 PolarHBondContact O-N 3.18Å
118D98.1Very high98.3Very high62 Ų6257.9 Ų57.933%0.33230%0.296SS..THydrogen-bonded Turntrans49.141.1-174.4-66.7-21.3000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 3.27Å; H92-D118 WeakPolarHBondContact CA-OD1 3.46Å; H92-D118 WeakPolarHBondContact CB-OD1 3.29Å; H92-D118 IonicContact CE1-OD2 3.27Å; H92-D118 IonicContact CG-OD1 3.76Å; H92-D118 IonicContact CG-OD2 3.14Å; H92-D118 IonicContact ND1-OD1 3.67Å; H92-D118 PolarHBondContact ND1-OD1 2.88Å; H92-D118 IonicContact ND1-OD2 3.83Å; H92-D118 PolarHBondContact ND1-OD2 3.18Å; T93-D118 PolarHBondContact N-OD1 3.19Å; T93-D118 PolarHBondContact O-N 3.24Å; D118-K120 VanDerWaalsContact C-N 3.28Å; D118-K120 PolarHBondContact O-N 3.29Å
119G97.3Very high98.3Very high59 Ų5955.3 Ų55.361%0.60829%0.285SS*.THydrogen-bonded Turntrans75.79.2178.400000115.1Y117Y117-G119 PolarHBondContact O-N 3.22Å
120K98.4Very high98.3Very high163 Ų16358.2 Ų58.271%0.70929%0.288SS*.EExtended strand (participates in β ladder)trans-115.6145176.6-62178.8-176.8176.30110.6A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.43Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å; Y117-K120 PolarHBondContact N-O 3.2Å; Y117-K120 PolarHBondContact O-N 3.18Å; D118-K120 VanDerWaalsContact C-N 3.28Å; D118-K120 PolarHBondContact O-N 3.29Å; K120-Y122 PolarHBondContact O-N 3.24Å
121D98.6Very high98.3Very high127 Ų12754.9 Ų54.968%0.67928%0.279SS*.EExtended strand (participates in β ladder)trans-52.4137.1173.6-69-28.5000110.7A135D121-A135 HydrophobicContact CB-CB 4.2Å; D121-A135 WeakPolarHBondContact O-CB 2.85Å
122Y98.7Very high98.3Very high18 Ų1854.7 Ų54.77%0.07128%0.277CS..EExtended strand (participates in β ladder)trans-114.5-65.5179.3-179.1-112.1000110.5Y84 Y115 K120 A135 A139 T142Y84-Y122 HydrophobicContact CE2-CD2 4.35Å; Y84-Y122 HydrophobicContact CE2-CE2 4.01Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.37Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.41Å; Y115-Y122 WeakPolarHBondContact O-CB 3.34Å; Y115-Y122 PolarHBondContact O-N 3.4Å; K120-Y122 PolarHBondContact O-N 3.24Å; Y122-A135 WeakPolarHBondContact O-CB 3.36Å; Y122-A135 PolarHBondContact O-N 2.89Å; Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE2-CB 3.69Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 WeakPolarHBondContact O-CB 3.39Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å
123I98.7Very high98.3Very high3 Ų356.3 Ų56.32%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-148.2140.2178.7-162.8174.1000110.4Q114 Y115 W132 T133 T142 K143 W146Q114-I123 CarbonylContact C-O 3.52Å; Q114-I123 WeakPolarHBondContact CA-O 3.29Å; Y115-I123 HydrophobicContact CD2-CG2 4.28Å; Y115-I123 PolarHBondContact N-O 3.15Å; Y115-I123 PolarHBondContact O-N 2.94Å; I123-W132 HydrophobicContact CD1-CB 4.21Å; I123-W132 HydrophobicContact CD1-CD2 4.41Å; I123-W132 HydrophobicContact CD1-CE3 4.21Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.29Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; I123-T133 CarbonylContact C-O 3.55Å; I123-T133 WeakPolarHBondContact CA-O 3.34Å; I123-T133 WeakPolarHBondContact CG1-O 3.46Å; I123-T142 HydrophobicContact CD1-CG2 4.1Å; I123-K143 HydrophobicContact CD1-CB 3.89Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.3Å; I123-W146 HydrophobicContact CG2-CH2 4.07Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å
124A98.8Very high98.3Very high31 Ų3156.6 Ų56.626%0.25630%0.295SS..EExtended strand (participates in β ladder)trans-136.2137.2179.800000111.7Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.84Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 2.83Å
125L98.8Very high98.3Very high15 Ų1556 Ų568%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-69.4129.9169-173.863.7000108.5H113 L129 W132 A152 Q155 L159H113-L125 HydrophobicContact CB-CB 3.97Å; H113-L125 HydrophobicContact CB-CD2 4.12Å; H113-L125 WeakPolarHBondContact O-CB 3.4Å; H113-L125 PolarHBondContact O-N 2.92Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.73Å; L125-L129 HydrophobicContact CG-CD2 4.23Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4Å; L125-W132 HydrophobicContact CB-CZ3 3.59Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CH2 4.47Å; L125-W132 HydrophobicContact CG-CZ3 4.45Å; L125-A152 HydrophobicContact CD1-CB 4.01Å; L125-Q155 HydrophobicContact CD2-CB 4.09Å; L125-L159 HydrophobicContact CD2-CD1 3.93Å
126K98.5Very high98.3Very high87 Ų8757.7 Ų57.738%0.37831%0.313SS..  trans-73.7165.8178.1-64.4-162.9-156.5162.30111.4D128 L129 S131 T133K126-D128 PolarHBondContact O-N 3.26Å; K126-D128 VanDerWaalsContact O-N 3.1Å; K126-L129 PolarHBondContact O-N 3.44Å; K126-S131 WeakPolarHBondContact CB-O 3.49Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.46Å; K126-S131 WeakPolarHBondContact CE-OG 3.27Å; K126-S131 WeakPolarHBondContact CG-O 3.43Å; K126-S131 PolarHBondContact N-O 2.86Å; K126-S131 PolarHBondContact NZ-OG 2.83Å; K126-T133 WeakPolarHBondContact CE-OG1 3.34Å; K126-T133 WeakPolarHBondContact CG-OG1 3.35Å
127E97.5Very high98.2Very high135 Ų13564 Ų6463%0.63134%0.341SS*.THydrogen-bonded Turntrans-57.9-23.8177.2-63.5-179-173.300113.6R110 L129R110-E127 IonicContact CZ-OE1 3.13Å; R110-E127 IonicContact NH1-OE1 2.69Å; R110-E127 PolarHBondContact NH1-OE1 2.91Å; R110-E127 IonicContact NH1-OE2 3.87Å; R110-E127 IonicContact NH2-OE1 3.08Å; R110-E127 PolarHBondContact NH2-OE1 3.19Å; E127-L129 PolarHBondContact O-N 2.87Å
128D97.4Very high98.1Very high77 Ų7763.8 Ų63.841%0.41234%0.342SS..THydrogen-bonded Turntrans-71.1-10.1174.667.213.6000114K126 R130 S131K126-D128 PolarHBondContact O-N 3.26Å; K126-D128 VanDerWaalsContact O-N 3.1Å; D128-R130 WeakPolarHBondContact O-CG 3.24Å; D128-R130 PolarHBondContact O-N 3.41Å; D128-R130 VanDerWaalsContact O-N 3.12Å; D128-R130 PolarHBondContact OD1-N 2.85Å; D128-S131 PolarHBondContact OD1-N 3.4Å; D128-S131 PolarHBondContact OD1-OG 2.8Å; D128-S131 PolarHBondContact OD2-OG 3.11Å
129L98.1Very high98.1Very high5 Ų560.9 Ų60.93%0.02633%0.326CS..SBendtrans52.525.7-174.7-52177.9000114.1F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.91Å; F108-L129 HydrophobicContact CZ-CD1 3.64Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.73Å; L125-L129 HydrophobicContact CG-CD2 4.23Å; K126-L129 PolarHBondContact O-N 3.44Å; E127-L129 PolarHBondContact O-N 2.87Å; L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.89Å; L129-R156 HydrophobicContact CD1-CG 4.08Å; L129-L159 HydrophobicContact CD2-CD1 4.14Å; L129-E160 HydrophobicContact CD1-CG 4.07Å
130R97.5Very high98.2Very high170 Ų17060.8 Ų60.864%0.64231%0.31SS*.SBendtrans-130-29.4-175.6-70.8173.4-171.3-156.32.5112.3D128D128-R130 WeakPolarHBondContact O-CG 3.24Å; D128-R130 PolarHBondContact O-N 3.41Å; D128-R130 VanDerWaalsContact O-N 3.12Å; D128-R130 PolarHBondContact OD1-N 2.85Å
131S97.5Very high98.2Very high25 Ų2555.9 Ų55.918%0.17529%0.291CS..  trans-122.6158.9-176.172.60000112.5K126 D128K126-S131 WeakPolarHBondContact CB-O 3.49Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.46Å; K126-S131 WeakPolarHBondContact CE-OG 3.27Å; K126-S131 WeakPolarHBondContact CG-O 3.43Å; K126-S131 PolarHBondContact N-O 2.86Å; K126-S131 PolarHBondContact NZ-OG 2.83Å; D128-S131 PolarHBondContact OD1-N 3.4Å; D128-S131 PolarHBondContact OD1-OG 2.8Å; D128-S131 PolarHBondContact OD2-OG 3.11Å
132W98.7Very high98.2Very high1 Ų150.6 Ų50.60%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-114.3142.1-176.5-60.591.9000111.9H113 I123 A124 L125 K143 W146 V151 A152 Q155H113-W132 AromaticContact CD2-CH2 3.77Å; H113-W132 AromaticContact CD2-CZ3 3.91Å; I123-W132 HydrophobicContact CD1-CB 4.21Å; I123-W132 HydrophobicContact CD1-CD2 4.41Å; I123-W132 HydrophobicContact CD1-CE3 4.21Å; I123-W132 HydrophobicContact CD1-CG 4.43Å; I123-W132 HydrophobicContact CG1-CB 4.29Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; A124-W132 WeakPolarHBondContact O-CA 3.42Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4Å; L125-W132 HydrophobicContact CB-CZ3 3.59Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.26Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.2Å; L125-W132 HydrophobicContact CG-CH2 4.47Å; L125-W132 HydrophobicContact CG-CZ3 4.45Å; W132-K143 HydrophobicContact CB-CD 4.24Å; W132-K143 HydrophobicContact CB-CG 4.09Å; W132-K143 WeakPolarHBondContact O-CE 3.39Å; W132-K143 PolarHBondContact O-NZ 2.87Å; W132-W146 AromaticContact CD2-CE3 3.89Å; W132-W146 HydrophobicContact CD2-CE3 3.89Å; W132-W146 HydrophobicContact CD2-CZ3 4.4Å; W132-W146 AromaticContact CE2-CE3 3.71Å; W132-W146 AromaticContact CE3-CE3 3.8Å; W132-W146 HydrophobicContact CE3-CE3 3.8Å; W132-W146 AromaticContact CE3-CZ3 3.85Å; W132-W146 HydrophobicContact CE3-CZ3 3.85Å; W132-W146 AromaticContact CH2-CE3 3.41Å; W132-W146 HydrophobicContact CH2-CE3 3.41Å; W132-W146 VanDerWaalsContact CH2-CE3 3.41Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.47Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.59Å; W132-W146 HydrophobicContact CZ3-CE3 3.59Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 4.02Å; W132-A152 HydrophobicContact CZ2-CB 4.3Å; W132-Q155 HydrophobicContact CH2-CG 4.32Å
133T98.6Very high98.1Very high73 Ų7351.6 Ų51.645%0.44827%0.268SS..EExtended strand (participates in β ladder)trans-101.1121.3166-610000108.4I123 A124 K126I123-T133 CarbonylContact C-O 3.55Å; I123-T133 WeakPolarHBondContact CA-O 3.34Å; I123-T133 WeakPolarHBondContact CG1-O 3.46Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 2.83Å; K126-T133 WeakPolarHBondContact CE-OG1 3.34Å; K126-T133 WeakPolarHBondContact CG-OG1 3.35Å
134A98.6Very high98.1Very high16 Ų1658.7 Ų58.713%0.13230%0.295CS..EExtended strand (participates in β ladder)trans-105133.517500000109A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.72Å; A134-Q140 HydrophobicContact CB-CG 4.27Å; A134-K143 HydrophobicContact CB-CB 4.23Å; A134-K143 HydrophobicContact CB-CD 4.16Å
135A98.4Very high98.1Very high58 Ų5862.9 Ų62.948%0.47931%0.307SS..SBendtrans-76.3-31.7-173.800000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.2Å; D121-A135 WeakPolarHBondContact O-CB 2.85Å; Y122-A135 WeakPolarHBondContact O-CB 3.36Å; Y122-A135 PolarHBondContact O-N 2.89Å
136D98Very high98.1Very high59 Ų5964.5 Ų64.532%0.31631%0.312SS..SBendtrans-149-176.5-178.16729.4000112.9Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.39Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.32Å; Y84-D136 VanDerWaalsContact OH-CG 3.24Å; Y84-D136 PolarHBondContact OH-OD1 2.93Å; Y84-D136 PolarHBondContact OH-OD2 2.86Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 2.85Å; D136-A138 WeakPolarHBondContact OD1-CA 3.26Å; D136-A138 WeakPolarHBondContact OD1-CB 3.34Å; D136-A138 PolarHBondContact OD1-N 3Å; D136-A139 PolarHBondContact O-N 3.06Å; D136-A139 PolarHBondContact OD1-N 3.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.17Å; D136-Q140 PolarHBondContact O-N 2.82Å
137M97.5Very high98.1Very high148 Ų14864.4 Ų64.473%0.72931%0.313SS*.Hα-helixtrans-64.3-30-178.8-69.5-58.3-6300114.1
138A97.1Very high98.1Very high8 Ų861.9 Ų61.97%0.06632%0.315CS..Hα-helixtrans-72.1-42.6175.800000110.3Y84 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.08Å; Y84-A138 HydrophobicContact CD2-CB 4.36Å; Y84-A138 HydrophobicContact CE1-CB 3.57Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å; Y84-A138 HydrophobicContact CG-CB 4.45Å; Y84-A138 VanDerWaalsContact CZ-CB 3.45Å; D136-A138 VanDerWaalsContact C-N 3.31Å; D136-A138 PolarHBondContact O-N 2.85Å; D136-A138 WeakPolarHBondContact OD1-CA 3.26Å; D136-A138 WeakPolarHBondContact OD1-CB 3.34Å; D136-A138 PolarHBondContact OD1-N 3Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 2.83Å; A138-I141 WeakPolarHBondContact O-CB 3.35Å; A138-I141 PolarHBondContact O-N 2.8Å; A138-I141 VanDerWaalsContact O-N 3.12Å
139A98.2Very high98.1Very high0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-63.1-30174.200000113.1Y122 A134 D136 I141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.81Å; Y122-A139 HydrophobicContact CE2-CB 3.69Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 WeakPolarHBondContact O-CB 3.39Å; A134-A139 HydrophobicContact CB-CB 3.72Å; D136-A139 PolarHBondContact O-N 3.06Å; D136-A139 PolarHBondContact OD1-N 3.24Å; A139-I141 PolarHBondContact O-N 2.99Å; A139-T142 PolarHBondContact O-N 3.02Å; A139-T142 VanDerWaalsContact O-N 3.14Å; A139-K143 PolarHBondContact O-N 3.48Å
140Q98.5Very high98.1Very high57 Ų5765.8 Ų65.827%0.26634%0.341SS..Hα-helixtrans-59.5-30.7173.4-68.7-67.8-19.300112.6A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 4.27Å; D136-Q140 WeakPolarHBondContact O-CG 3.17Å; D136-Q140 PolarHBondContact O-N 2.82Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 2.83Å; Q140-R144 WeakPolarHBondContact O-CG 3.49Å; Q140-R144 PolarHBondContact O-N 3.2Å; Q140-R144 VanDerWaalsContact O-N 3.11Å
141I98.1Very high98.1Very high60 Ų6058.7 Ų58.731%0.30832%0.316SS..Hα-helixtrans-65.4-46.7176.2-56172.2000109.8Y83 A138 A139 R144 K145Y83-I141 HydrophobicContact CD1-CD1 4.05Å; Y83-I141 HydrophobicContact CD2-CD1 4.49Å; Y83-I141 HydrophobicContact CE1-CD1 4.23Å; Y83-I141 HydrophobicContact CE1-CG2 4Å; Y83-I141 HydrophobicContact CE2-CB 4.09Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.2Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.37Å; A138-I141 WeakPolarHBondContact O-CB 3.35Å; A138-I141 PolarHBondContact O-N 2.8Å; A138-I141 VanDerWaalsContact O-N 3.12Å; A139-I141 PolarHBondContact O-N 2.99Å; I141-R144 PolarHBondContact O-N 3.48Å; I141-K145 WeakPolarHBondContact O-CG 3.34Å; I141-K145 PolarHBondContact O-N 2.85Å
142T98.1Very high98.2Very high16 Ų1657.9 Ų57.910%0.09831%0.311CS..Hα-helixtrans-64.1-44.8176.9-64.40000111.3Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 2.89Å; I123-T142 HydrophobicContact CD1-CG2 4.1Å; A139-T142 PolarHBondContact O-N 3.02Å; A139-T142 VanDerWaalsContact O-N 3.14Å; T142-R144 PolarHBondContact O-N 2.97Å; T142-K145 WeakPolarHBondContact O-CB 3.22Å; T142-K145 PolarHBondContact O-N 3.47Å; T142-K145 VanDerWaalsContact O-N 3.12Å; T142-W146 HydrophobicContact CG2-CD2 3.95Å; T142-W146 HydrophobicContact CG2-CE3 4.5Å; T142-W146 HydrophobicContact CG2-CG 4.23Å; T142-W146 HydrophobicContact CG2-CZ2 4.03Å; T142-W146 PolarHBondContact O-N 2.77Å
143K98.6Very high98.2Very high40 Ų4063.8 Ų63.817%0.17434%0.339CS..Hα-helixtrans-51.5-52.2175.6173.3171.4176.31740112.1I123 W132 A134 A139 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.89Å; W132-K143 HydrophobicContact CB-CD 4.24Å; W132-K143 HydrophobicContact CB-CG 4.09Å; W132-K143 WeakPolarHBondContact O-CE 3.39Å; W132-K143 PolarHBondContact O-NZ 2.87Å; A134-K143 HydrophobicContact CB-CB 4.23Å; A134-K143 HydrophobicContact CB-CD 4.16Å; A139-K143 PolarHBondContact O-N 3.48Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 2.8Å; K143-W146 PolarHBondContact O-N 2.99Å; K143-E147 WeakPolarHBondContact CE-OE1 3.43Å; K143-E147 HydrophobicContact CG-CG 4.33Å; K143-E147 IonicContact NZ-OE1 3.69Å; K143-E147 WeakPolarHBondContact O-CB 3.33Å; K143-E147 WeakPolarHBondContact O-CG 3.27Å; K143-E147 PolarHBondContact O-N 2.72Å
144R98.6Very high98.1Very high152 Ų15266.4 Ų66.457%0.57435%0.346SS*.Hα-helixtrans-60.7-40.2179.8-68.9170.8-167.8160.24112.4Q140 I141 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.49Å; Q140-R144 PolarHBondContact O-N 3.2Å; Q140-R144 VanDerWaalsContact O-N 3.11Å; I141-R144 PolarHBondContact O-N 3.48Å; T142-R144 PolarHBondContact O-N 2.97Å; R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 3.14Å
145K98Very high98.1Very high119 Ų11967.5 Ų67.552%0.51735%0.348SS..Hα-helixtrans-63.9-44.2176.6-72.8178.7173.5-176.10111.5Y83 I141 T142 K143 A148 A149Y83-K145 PolarHBondContact OH-NZ 3.05Å; I141-K145 WeakPolarHBondContact O-CG 3.34Å; I141-K145 PolarHBondContact O-N 2.85Å; T142-K145 WeakPolarHBondContact O-CB 3.22Å; T142-K145 PolarHBondContact O-N 3.47Å; T142-K145 VanDerWaalsContact O-N 3.12Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 2.8Å; K145-A148 PolarHBondContact O-N 3.11Å; K145-A149 VanDerWaalsContact O-CB 3.3Å; K145-A149 WeakPolarHBondContact O-CB 3.35Å; K145-A149 PolarHBondContact O-N 3.18Å
146W98.2Very high98.1Very high49 Ų4968.5 Ų68.519%0.18634%0.34CS..Hα-helixtrans-71.3-36.2-179.2-76.611.9000113Y115 I123 W132 T142 K143 A149 H150 V151Y115-W146 AromaticContact CD2-CH2 3.9Å; Y115-W146 HydrophobicContact CD2-CH2 3.9Å; Y115-W146 AromaticContact CE2-CH2 3.47Å; Y115-W146 HydrophobicContact CE2-CH2 3.47Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.47Å; Y115-W146 HydrophobicContact CE2-CZ2 4.29Å; Y115-W146 HydrophobicContact CE2-CZ3 4.36Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.3Å; I123-W146 HydrophobicContact CG2-CH2 4.07Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å; W132-W146 AromaticContact CD2-CE3 3.89Å; W132-W146 HydrophobicContact CD2-CE3 3.89Å; W132-W146 HydrophobicContact CD2-CZ3 4.4Å; W132-W146 AromaticContact CE2-CE3 3.71Å; W132-W146 AromaticContact CE3-CE3 3.8Å; W132-W146 HydrophobicContact CE3-CE3 3.8Å; W132-W146 AromaticContact CE3-CZ3 3.85Å; W132-W146 HydrophobicContact CE3-CZ3 3.85Å; W132-W146 AromaticContact CH2-CE3 3.41Å; W132-W146 HydrophobicContact CH2-CE3 3.41Å; W132-W146 VanDerWaalsContact CH2-CE3 3.41Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.47Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 AromaticContact CZ2-CZ3 3.95Å; W132-W146 HydrophobicContact CZ2-CZ3 3.95Å; W132-W146 AromaticContact CZ3-CE3 3.59Å; W132-W146 HydrophobicContact CZ3-CE3 3.59Å; W132-W146 AromaticContact CZ3-CZ3 3.31Å; W132-W146 HydrophobicContact CZ3-CZ3 3.31Å; T142-W146 HydrophobicContact CG2-CD2 3.95Å; T142-W146 HydrophobicContact CG2-CE3 4.5Å; T142-W146 HydrophobicContact CG2-CG 4.23Å; T142-W146 HydrophobicContact CG2-CZ2 4.03Å; T142-W146 PolarHBondContact O-N 2.77Å; K143-W146 PolarHBondContact O-N 2.99Å; W146-A149 CarbonylContact O-C 3.52Å; W146-A149 PolarHBondContact O-N 3.15Å; W146-H150 PolarHBondContact O-N 3.35Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.89Å; W146-V151 HydrophobicContact CD2-CB 4.42Å; W146-V151 HydrophobicContact CD2-CG1 4.18Å; W146-V151 HydrophobicContact CD2-CG2 4.49Å; W146-V151 HydrophobicContact CE3-CG1 4.34Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.85Å; W146-V151 PolarHBondContact O-N 3.02Å
147E98.4Very high98.1Very high85 Ų8568.8 Ų68.840%0.39735%0.35SS..Hα-helixtrans-64.3-46.8172.2-73.6174.116000110.9K143 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.43Å; K143-E147 HydrophobicContact CG-CG 4.33Å; K143-E147 IonicContact NZ-OE1 3.69Å; K143-E147 WeakPolarHBondContact O-CB 3.33Å; K143-E147 WeakPolarHBondContact O-CG 3.27Å; K143-E147 PolarHBondContact O-N 2.72Å; E147-A149 PolarHBondContact O-N 3.37Å; E147-H150 PolarHBondContact O-N 3.38Å; E147-H150 VanDerWaalsContact O-N 3.15Å
148A98.3Very high98.1Very high81 Ų8164.8 Ų64.867%0.66933%0.328SS*.Hα-helixtrans-63.8-29.8176.800000113.3R144 K145R144-A148 WeakPolarHBondContact O-CB 3.48Å; R144-A148 PolarHBondContact O-N 3.14Å; K145-A148 PolarHBondContact O-N 3.11Å
149A98.1Very high98.2Very high59 Ų5964.4 Ų64.449%0.48833%0.325SS..THydrogen-bonded Turntrans-93.56.5177.900000113.7K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.3Å; K145-A149 WeakPolarHBondContact O-CB 3.35Å; K145-A149 PolarHBondContact O-N 3.18Å; W146-A149 CarbonylContact O-C 3.52Å; W146-A149 PolarHBondContact O-N 3.15Å; E147-A149 PolarHBondContact O-N 3.37Å; A149-V151 HydrophobicContact CB-CG2 4.02Å; A149-V151 PolarHBondContact O-N 3.36Å; A149-V151 VanDerWaalsContact O-N 3.16Å
150H97.5Very high98.2Very high106 Ų10668 Ų6849%0.49134%0.341SS..THydrogen-bonded Turntrans53.933.5179.6-62.7-92.9000114.2W146 E147 A152 E153W146-H150 PolarHBondContact O-N 3.35Å; E147-H150 PolarHBondContact O-N 3.38Å; E147-H150 VanDerWaalsContact O-N 3.15Å; H150-A152 PolarHBondContact O-N 3.38Å; H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 3.87Å; H150-E153 IonicContact CG-OE1 3.61Å; H150-E153 IonicContact ND1-OE1 2.87Å; H150-E153 PolarHBondContact ND1-OE1 2.85Å; H150-E153 WeakPolarHBondContact O-CB 3.41Å; H150-E153 PolarHBondContact O-N 3.15Å
151V98.2Very high98.2Very high21 Ų2166.5 Ų66.513%0.12734%0.341CS..Hα-helixtrans-60.4-32.7-175.7177.70000111.7W132 W146 A149 E153 Q154 Q155W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 4.02Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.89Å; W146-V151 HydrophobicContact CD2-CB 4.42Å; W146-V151 HydrophobicContact CD2-CG1 4.18Å; W146-V151 HydrophobicContact CD2-CG2 4.49Å; W146-V151 HydrophobicContact CE3-CG1 4.34Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.85Å; W146-V151 PolarHBondContact O-N 3.02Å; A149-V151 HydrophobicContact CB-CG2 4.02Å; A149-V151 PolarHBondContact O-N 3.36Å; A149-V151 VanDerWaalsContact O-N 3.16Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 3.16Å; V151-Q154 PolarHBondContact O-N 3.18Å; V151-Q155 HydrophobicContact CG1-CG 4.17Å; V151-Q155 WeakPolarHBondContact O-CG 3.48Å; V151-Q155 PolarHBondContact O-N 3.42Å
152A98.4Very high98.1Very high8 Ų867.6 Ų67.67%0.06635%0.35CS..Hα-helixtrans-59.3-36.1177.500000112.6L125 W132 H150 Q155 R156L125-A152 HydrophobicContact CD1-CB 4.01Å; W132-A152 HydrophobicContact CZ2-CB 4.3Å; H150-A152 PolarHBondContact O-N 3.38Å; A152-Q155 PolarHBondContact O-N 2.79Å; A152-R156 WeakPolarHBondContact O-CB 3.46Å; A152-R156 PolarHBondContact O-N 3.44Å
153E98.1Very high98.2Very high125 Ų12566.8 Ų66.858%0.58435%0.345SS*.Hα-helixtrans-67.1-40.4180-64.2174.5-155.400111.4H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 3.87Å; H150-E153 IonicContact CG-OE1 3.61Å; H150-E153 IonicContact ND1-OE1 2.87Å; H150-E153 PolarHBondContact ND1-OE1 2.85Å; H150-E153 WeakPolarHBondContact O-CB 3.41Å; H150-E153 PolarHBondContact O-N 3.15Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 3.16Å; E153-R156 PolarHBondContact O-N 2.86Å; E153-A157 WeakPolarHBondContact O-CB 3.21Å; E153-A157 PolarHBondContact O-N 3.41Å
154Q96.9Very high98.2Very high128 Ų12865.1 Ų65.160%0.59834%0.338SS*.Hα-helixtrans-65.2-46.2175.5-62.3177.2-0.600111.3V151 R156 A157 Y158V151-Q154 PolarHBondContact O-N 3.18Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.81Å; Q154-A157 PolarHBondContact O-N 3.47Å; Q154-Y158 PolarHBondContact O-N 3.19Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å
155Q98.1Very high98.1Very high38 Ų3862.3 Ų62.318%0.17834%0.335CS..Hα-helixtrans-63.8-41.9177.8-63.1-49.4-42.100111.3H113 L125 W132 V151 A152 A157 Y158 L159H113-Q155 VanDerWaalsContact CE1-CD 3.45Å; H113-Q155 PolarHBondContact CE1-OE1 3.04Å; H113-Q155 VanDerWaalsContact CE1-OE1 3.23Å; H113-Q155 PolarHBondContact ND1-OE1 3.21Å; L125-Q155 HydrophobicContact CD2-CB 4.09Å; W132-Q155 HydrophobicContact CH2-CG 4.32Å; V151-Q155 HydrophobicContact CG1-CG 4.17Å; V151-Q155 WeakPolarHBondContact O-CG 3.48Å; V151-Q155 PolarHBondContact O-N 3.42Å; A152-Q155 PolarHBondContact O-N 2.79Å; Q155-A157 PolarHBondContact O-N 2.78Å; Q155-Y158 PolarHBondContact O-N 2.8Å; Q155-L159 VanDerWaalsContact O-CB 3.32Å; Q155-L159 WeakPolarHBondContact O-CB 3.4Å; Q155-L159 WeakPolarHBondContact O-CG 3.25Å; Q155-L159 PolarHBondContact O-N 2.92Å
156R98.4Very high98.1Very high79 Ų7957.4 Ų57.430%0.29832%0.318SS..Hα-helixtrans-59.8-46.6175.8-176.8174.8179.4-137.3-18.2112.1L129 A152 E153 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.89Å; L129-R156 HydrophobicContact CD1-CG 4.08Å; A152-R156 WeakPolarHBondContact O-CB 3.46Å; A152-R156 PolarHBondContact O-N 3.44Å; E153-R156 PolarHBondContact O-N 2.86Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.81Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 2.82Å; R156-L159 PolarHBondContact O-N 3.5Å; R156-E160 HydrophobicContact CG-CG 4.15Å; R156-E160 IonicContact CZ-OE1 2.79Å; R156-E160 IonicContact CZ-OE2 3.34Å; R156-E160 IonicContact NE-OE1 3.67Å; R156-E160 PolarHBondContact NE-OE1 3.28Å; R156-E160 IonicContact NE-OE2 3.17Å; R156-E160 PolarHBondContact NE-OE2 3.28Å; R156-E160 IonicContact NH2-OE1 3.43Å; R156-E160 PolarHBondContact NH2-OE1 3.34Å; R156-E160 VanDerWaalsContact NH2-OE1 3.15Å; R156-E160 IonicContact NH2-OE2 3.15Å; R156-E160 PolarHBondContact NH2-OE2 2.94Å; R156-E160 WeakPolarHBondContact O-CB 3.36Å; R156-E160 PolarHBondContact O-N 2.86Å
157A98.3Very high98.1Very high66 Ų6655 Ų5555%0.54531%0.309SS..Hα-helixtrans-59.9-41.7178.200000112.2E153 Q154 Q155 G161E153-A157 WeakPolarHBondContact O-CB 3.21Å; E153-A157 PolarHBondContact O-N 3.41Å; Q154-A157 PolarHBondContact O-N 3.47Å; Q155-A157 PolarHBondContact O-N 2.78Å; A157-G161 PolarHBondContact O-N 2.65Å; A157-G161 VanDerWaalsContact O-N 3.14Å
158Y98.1Very high98.1Very high64 Ų6456.3 Ų56.325%0.25131%0.31SS..Iπ-helixtrans-65.1-48.1174.3173.5-94.5000112.1F98 Q154 Q155 R156 G161 T162 C163F98-Y158 AromaticContact CD2-CE1 3.8Å; F98-Y158 HydrophobicContact CD2-CE1 3.8Å; F98-Y158 AromaticContact CE2-CE1 3.72Å; F98-Y158 HydrophobicContact CE2-CE1 3.72Å; F98-Y158 AromaticContact CE2-CZ 3.92Å; Q154-Y158 PolarHBondContact O-N 3.19Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å; Q155-Y158 PolarHBondContact O-N 2.8Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 2.82Å; Y158-G161 CarbonylContact O-C 3.51Å; Y158-G161 PolarHBondContact O-N 3.09Å; Y158-T162 HydrophobicContact CD2-CG2 4.06Å; Y158-T162 HydrophobicContact CE2-CG2 3.82Å; Y158-T162 PolarHBondContact O-N 2.86Å; Y158-T162 VanDerWaalsContact O-N 3.12Å; Y158-C163 HydrophobicContact CD1-CB 4.3Å; Y158-C163 HydrophobicContact CE1-CB 3.87Å; Y158-C163 WeakPolarHBondContact O-CB 3.41Å; Y158-C163 PolarHBondContact O-N 3.06Å
159L98.6Very high98Very high0 Ų058.6 Ų58.60%030%0.301CS..Iπ-helixtrans-69.2-40.7-173.9-70.1171.1000112.9G99 F108 L125 L129 Q155 R156 V164G99-L159 VanDerWaalsContact O-CD2 3.22Å; G99-L159 WeakPolarHBondContact O-CD2 3.25Å; F108-L159 HydrophobicContact CE2-CB 4.46Å; F108-L159 WeakPolarHBondContact CE2-O 3.44Å; L125-L159 HydrophobicContact CD2-CD1 3.93Å; L129-L159 HydrophobicContact CD2-CD1 4.14Å; Q155-L159 VanDerWaalsContact O-CB 3.32Å; Q155-L159 WeakPolarHBondContact O-CB 3.4Å; Q155-L159 WeakPolarHBondContact O-CG 3.25Å; Q155-L159 PolarHBondContact O-N 2.92Å; R156-L159 PolarHBondContact O-N 3.5Å; L159-V164 WeakPolarHBondContact O-CG2 3.23Å
160E98.4Very high98Very high76 Ų7656.4 Ų56.436%0.35528%0.28SS..Iπ-helixtrans-79.7-22.2178.1-68-178.5176.400112.6F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.15Å; F108-E160 HydrophobicContact CD2-CG 4.49Å; F108-E160 HydrophobicContact CE1-CG 4Å; F108-E160 HydrophobicContact CE2-CG 4.35Å; F108-E160 HydrophobicContact CG-CG 4.39Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; L129-E160 HydrophobicContact CD1-CG 4.07Å; R156-E160 HydrophobicContact CG-CG 4.15Å; R156-E160 IonicContact CZ-OE1 2.79Å; R156-E160 IonicContact CZ-OE2 3.34Å; R156-E160 IonicContact NE-OE1 3.67Å; R156-E160 PolarHBondContact NE-OE1 3.28Å; R156-E160 IonicContact NE-OE2 3.17Å; R156-E160 PolarHBondContact NE-OE2 3.28Å; R156-E160 IonicContact NH2-OE1 3.43Å; R156-E160 PolarHBondContact NH2-OE1 3.34Å; R156-E160 VanDerWaalsContact NH2-OE1 3.15Å; R156-E160 IonicContact NH2-OE2 3.15Å; R156-E160 PolarHBondContact NH2-OE2 2.94Å; R156-E160 WeakPolarHBondContact O-CB 3.36Å; R156-E160 PolarHBondContact O-N 2.86Å
161G98.2Very high97.9Very high24 Ų2452 Ų5225%0.24726%0.261CS..Iπ-helixtrans-111-93.1-177.100000113A157 Y158 C163 V164 D165A157-G161 PolarHBondContact O-N 2.65Å; A157-G161 VanDerWaalsContact O-N 3.14Å; Y158-G161 CarbonylContact O-C 3.51Å; Y158-G161 PolarHBondContact O-N 3.09Å; G161-C163 VanDerWaalsContact C-N 3.25Å; G161-C163 PolarHBondContact O-N 3.35Å; G161-C163 VanDerWaalsContact O-N 3.12Å; G161-V164 WeakPolarHBondContact O-CB 3.41Å; G161-V164 PolarHBondContact O-N 3.4Å; G161-D165 PolarHBondContact O-N 3.46Å
162T97.8Very high97.9Very high83 Ų8357 Ų5751%0.50928%0.283SS..Iπ-helixtrans-51.9-39.5-171.8-52.30000113.9Y158 G166Y158-T162 HydrophobicContact CD2-CG2 4.06Å; Y158-T162 HydrophobicContact CE2-CG2 3.82Å; Y158-T162 PolarHBondContact O-N 2.86Å; Y158-T162 VanDerWaalsContact O-N 3.12Å; T162-G166 PolarHBondContact O-N 3.27Å
163C98.5Very high97.8Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-63.9-47177.2-175.10000111.6M4 C100 Y158 G161 G166 L167M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 WeakPolarHBondContact CE-O 3.12Å; M4-C163 WeakPolarHBondContact CE-SG 2.91Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.32Å; C100-C163 PolarHBondContact N-SG 3.06Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 PolarHBondContact SG-O 3.11Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.08Å; Y158-C163 HydrophobicContact CD1-CB 4.3Å; Y158-C163 HydrophobicContact CE1-CB 3.87Å; Y158-C163 WeakPolarHBondContact O-CB 3.41Å; Y158-C163 PolarHBondContact O-N 3.06Å; G161-C163 VanDerWaalsContact C-N 3.25Å; G161-C163 PolarHBondContact O-N 3.35Å; G161-C163 VanDerWaalsContact O-N 3.12Å; C163-G166 PolarHBondContact O-N 2.7Å; C163-L167 WeakPolarHBondContact O-CB 3.2Å; C163-L167 PolarHBondContact O-N 3.45Å
164V98.6Very high97.7Very high4 Ų453.2 Ų53.22%0.02427%0.266CS..Hα-helixtrans-64.9-43.9179.5173.20000110.9V102 F108 L159 G161 L167 R168V102-V164 HydrophobicContact CG1-CB 4.43Å; V102-V164 HydrophobicContact CG1-CG1 3.96Å; V102-V164 HydrophobicContact CG1-CG2 4.07Å; F108-V164 HydrophobicContact CB-CG2 4.04Å; F108-V164 HydrophobicContact CD2-CG2 3.67Å; F108-V164 HydrophobicContact CG-CG2 4.34Å; L159-V164 WeakPolarHBondContact O-CG2 3.23Å; G161-V164 WeakPolarHBondContact O-CB 3.41Å; G161-V164 PolarHBondContact O-N 3.4Å; V164-L167 PolarHBondContact O-N 3.01Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 3.1Å
165D98.1Very high97.6Very high94 Ų9452.2 Ų52.250%0.50326%0.259SS..Hα-helixtrans-64.8-43179-68.7-25.2000111.5G161 R168 R169G161-D165 PolarHBondContact O-N 3.46Å; D165-R168 PolarHBondContact O-N 2.89Å; D165-R168 IonicContact OD1-NH1 3.81Å; D165-R169 WeakPolarHBondContact O-CB 3.05Å; D165-R169 PolarHBondContact O-N 2.85Å
166G97.3Very high97.3Very high15 Ų1559.1 Ų59.116%0.15529%0.291CS..Hα-helixtrans-60.4-47.7173.500000112.3T162 C163 R168 R169 Y170T162-G166 PolarHBondContact O-N 3.27Å; C163-G166 PolarHBondContact O-N 2.7Å; G166-R168 PolarHBondContact O-N 3.42Å; G166-R169 WeakPolarHBondContact O-CB 3.32Å; G166-R169 PolarHBondContact O-N 2.9Å; G166-Y170 VanDerWaalsContact O-CD2 3.26Å; G166-Y170 WeakPolarHBondContact O-CD2 3.46Å; G166-Y170 PolarHBondContact O-N 2.82Å
167L98.4Very high97.1Very high0 Ų057.6 Ų57.60%029%0.291CS..Hα-helixtrans-60.5-44.5177.9175.453.7000111.8H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.39Å; H2-L167 HydrophobicContact CB-CD2 4.46Å; M4-L167 HydrophobicContact CB-CB 4.06Å; M4-L167 HydrophobicContact CB-CD1 4.03Å; M4-L167 HydrophobicContact CB-CD2 4.18Å; M4-L167 HydrophobicContact CB-CG 4.3Å; M4-L167 HydrophobicContact CE-CB 4.39Å; V27-L167 HydrophobicContact CB-CD1 4.5Å; V27-L167 HydrophobicContact CG1-CD1 3.57Å; V27-L167 HydrophobicContact CG2-CD1 4.23Å; V102-L167 HydrophobicContact CB-CD2 4.35Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.59Å; V102-L167 HydrophobicContact CG2-CG 4.23Å; C163-L167 WeakPolarHBondContact O-CB 3.2Å; C163-L167 PolarHBondContact O-N 3.45Å; V164-L167 PolarHBondContact O-N 3.01Å; L167-R169 PolarHBondContact O-N 3.4Å; L167-Y170 PolarHBondContact O-N 3.01Å; L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.86Å; L167-L171 HydrophobicContact CG-CD1 3.95Å; L167-L171 HydrophobicContact CG-CG 4.43Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.5Å; L167-L171 PolarHBondContact O-N 3.43Å
168R97.6Very high96.9Very high112 Ų11254.6 Ų54.642%0.42327%0.266SS..Hα-helixtrans-60.1-45175.9-73.6173.4-177.6170-0.8112G106 V164 D165 G166 Y170 L171 E172G106-R168 VanDerWaalsContact O-CZ 3.24Å; G106-R168 PolarHBondContact O-NE 2.96Å; G106-R168 PolarHBondContact O-NH2 2.96Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 3.1Å; D165-R168 PolarHBondContact O-N 2.89Å; D165-R168 IonicContact OD1-NH1 3.81Å; G166-R168 PolarHBondContact O-N 3.42Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.71Å; R168-L171 PolarHBondContact O-N 2.88Å; R168-E172 PolarHBondContact O-N 3.31Å; R168-E172 VanDerWaalsContact O-N 3.08Å
169R96.6Very high96.6Very high128 Ų12855.8 Ų55.848%0.48327%0.274SS..Hα-helixtrans-58.7-46.9175.9178-177.6177.9162.410.7111.1E54 D165 G166 L167 E172 N173E54-R169 VanDerWaalsContact CD-CZ 3.49Å; E54-R169 IonicContact OE1-CZ 2.7Å; E54-R169 IonicContact OE1-NE 3.06Å; E54-R169 PolarHBondContact OE1-NE 3.05Å; E54-R169 IonicContact OE1-NH2 3.73Å; E54-R169 PolarHBondContact OE1-NH2 2.75Å; E54-R169 IonicContact OE2-CZ 2.73Å; E54-R169 IonicContact OE2-NE 2.67Å; E54-R169 IonicContact OE2-NH1 2.78Å; E54-R169 IonicContact OE2-NH2 3.8Å; E54-R169 PolarHBondContact OE2-NH2 2.91Å; D165-R169 WeakPolarHBondContact O-CB 3.05Å; D165-R169 PolarHBondContact O-N 2.85Å; G166-R169 WeakPolarHBondContact O-CB 3.32Å; G166-R169 PolarHBondContact O-N 2.9Å; L167-R169 PolarHBondContact O-N 3.4Å; R169-E172 PolarHBondContact O-N 3.48Å; R169-N173 WeakPolarHBondContact O-CB 3.36Å; R169-N173 PolarHBondContact O-N 2.77Å; R169-N173 PolarHBondContact O-OD1 3.38Å
170Y97.6Very high96.4Very high13 Ų1359.5 Ų59.55%0.05129%0.288CS..Hα-helixtrans-68.1-36.1-179.5-59.5-25.9000112.8M4 V27 F32 W50 I51 Y58 G166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.71Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å; V27-Y170 HydrophobicContact CG2-CD2 4.04Å; F32-Y170 HydrophobicContact CE2-CD2 4.19Å; F32-Y170 AromaticContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CZ-CD2 4.25Å; F32-Y170 AromaticContact CZ-CE2 3.83Å; F32-Y170 HydrophobicContact CZ-CE2 3.83Å; W50-Y170 HydrophobicContact CH2-CG 4.4Å; W50-Y170 HydrophobicContact CZ3-CD1 4.06Å; W50-Y170 HydrophobicContact CZ3-CD2 4.48Å; W50-Y170 AromaticContact CZ3-CG 3.82Å; W50-Y170 HydrophobicContact CZ3-CG 3.82Å; I51-Y170 HydrophobicContact CD1-CD1 3.73Å; I51-Y170 HydrophobicContact CD1-CE1 3.41Å; I51-Y170 VanDerWaalsContact CD1-CE1 3.41Å; Y58-Y170 HydrophobicContact CE2-CE1 4.44Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.5Å; Y58-Y170 PolarHBondContact OH-OH 3.22Å; G166-Y170 VanDerWaalsContact O-CD2 3.26Å; G166-Y170 WeakPolarHBondContact O-CD2 3.46Å; G166-Y170 PolarHBondContact O-N 2.82Å; L167-Y170 PolarHBondContact O-N 3.01Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.71Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.46Å; Y170-N173 PolarHBondContact O-N 2.92Å; Y170-G174 PolarHBondContact O-N 3.19Å; Y170-L178 WeakPolarHBondContact O-CD1 3.07Å
171L97.1Very high96.3Very high15 Ų1559 Ų598%0.07929%0.29CS..Hα-helixtrans-65.1-33.4174.2-73.5168.7000112.9H2 V27 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.68Å; H2-L171 HydrophobicContact CB-CD2 4.03Å; H2-L171 HydrophobicContact CB-CG 4.42Å; V27-L171 HydrophobicContact CG1-CD2 4.1Å; L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.86Å; L167-L171 HydrophobicContact CG-CD1 3.95Å; L167-L171 HydrophobicContact CG-CG 4.43Å; L167-L171 WeakPolarHBondContact O-CB 3.34Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.5Å; L167-L171 PolarHBondContact O-N 3.43Å; R168-L171 PolarHBondContact O-N 2.88Å; L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.35Å; L171-K175 WeakPolarHBondContact O-CB 3.33Å; L171-K175 PolarHBondContact O-N 2.81Å; L171-K175 VanDerWaalsContact O-N 3.16Å; L171-L178 HydrophobicContact CD2-CB 4.13Å; L171-L178 HydrophobicContact CD2-CD1 4.31Å; L171-Q179 HydrophobicContact CD2-CG 4.49Å; L171-Q179 PolarHBondContact O-NE2 3.12Å
172E96.4Very high96.3Very high126 Ų12660.2 Ų60.259%0.58929%0.291SS*.Hα-helixtrans-73.2-48.3173.7-17259.5-153.200110.7R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.31Å; R168-E172 VanDerWaalsContact O-N 3.08Å; R169-E172 PolarHBondContact O-N 3.48Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.46Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.41Å; E172-K175 WeakPolarHBondContact O-CB 3.3Å; E172-K175 PolarHBondContact O-N 3.46Å
173N96.5Very high96.3Very high50 Ų5059.5 Ų59.527%0.26729%0.287SS..Hα-helixtrans-57.2-44177.6-73.40.8000112.7Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 2.91Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.11Å; Q53-N173 PolarHBondContact NE2-OD1 2.93Å; E54-N173 PolarHBondContact OE1-ND2 2.89Å; R169-N173 WeakPolarHBondContact O-CB 3.36Å; R169-N173 PolarHBondContact O-N 2.77Å; R169-N173 PolarHBondContact O-OD1 3.38Å; Y170-N173 PolarHBondContact O-N 2.92Å
174G96.1Very high96.3Very high2 Ų259.9 Ų59.92%0.02129%0.29CS..THydrogen-bonded Turntrans-101.419.6-175.600000113.9W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CB-CA 3.49Å; W50-G174 VanDerWaalsContact CG-CA 3.48Å; Y170-G174 PolarHBondContact O-N 3.19Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.41Å; G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 3.27Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 2.92Å; G174-L178 WeakPolarHBondContact O-CB 3.45Å; G174-L178 PolarHBondContact O-N 3.46Å
175K95Very high96.2Very high108 Ų10867.3 Ų67.347%0.4732%0.322SS..Hα-helixtrans-48.9-45.6-170.6-177.6172.8-176.7173.40114.1L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.35Å; L171-K175 WeakPolarHBondContact O-CB 3.33Å; L171-K175 PolarHBondContact O-N 2.81Å; L171-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.3Å; E172-K175 PolarHBondContact O-N 3.46Å; K175-T177 PolarHBondContact O-N 3.49Å; K175-Q179 WeakPolarHBondContact O-CB 3.15Å; K175-Q179 PolarHBondContact O-N 3.39Å; K175-Q179 VanDerWaalsContact O-N 3.14Å
176E92.9Very high96.2Very high182 Ų18264.7 Ų64.785%0.8531%0.309SS*.Hα-helixtrans-65.4-24.8-179.6-63.3-174.8167.600113.6G174G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 3.27Å; G174-E176 VanDerWaalsContact O-N 3.15Å
177T92.8Very high96.1Very high47 Ų4767.7 Ų67.729%0.28832%0.319SS..Hα-helixtrans-101.9-43-178.3-54.50000112.3G174 K175 R180G174-T177 PolarHBondContact O-N 2.92Å; K175-T177 PolarHBondContact O-N 3.49Å; T177-R180 WeakPolarHBondContact O-CD 3.34Å; T177-R180 VanDerWaalsContact O-CG 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.38Å; T177-R180 PolarHBondContact O-NE 3.21Å
178L94.2Very high96Very high3 Ų369.2 Ų69.22%0.01633%0.327CS..Hα-helixtrans-83.6-29.2-172.6-64172.4000112.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.25Å; V27-L178 HydrophobicContact CB-CD2 4.1Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å; T30-L178 HydrophobicContact CG2-CD2 4.11Å; W50-L178 HydrophobicContact CD2-CD1 4.4Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4Å; W50-L178 HydrophobicContact CZ2-CG 4.28Å; Y170-L178 WeakPolarHBondContact O-CD1 3.07Å; L171-L178 HydrophobicContact CD2-CB 4.13Å; L171-L178 HydrophobicContact CD2-CD1 4.31Å; G174-L178 WeakPolarHBondContact O-CB 3.45Å; G174-L178 PolarHBondContact O-N 3.46Å
179Q92.9Very high95.9Very high90 Ų9065.6 Ų65.642%0.42132%0.317SS..SBendtrans-104.114.3179.3-54.1-179.934.800112.2L171 K175L171-Q179 HydrophobicContact CD2-CG 4.49Å; L171-Q179 PolarHBondContact O-NE2 3.12Å; K175-Q179 WeakPolarHBondContact O-CB 3.15Å; K175-Q179 PolarHBondContact O-N 3.39Å; K175-Q179 VanDerWaalsContact O-N 3.14Å
180R94.6Very high95.8Very high77 Ų7762.3 Ų62.329%0.29131%0.307SS..  trans-78.5155.3171.781.2-171.3171.9177.34.2110.2T177 D182 Y208 G238T177-R180 WeakPolarHBondContact O-CD 3.34Å; T177-R180 VanDerWaalsContact O-CG 3.28Å; T177-R180 WeakPolarHBondContact O-CG 3.38Å; T177-R180 PolarHBondContact O-NE 3.21Å; R180-D182 IonicContact CZ-OD2 2.64Å; R180-D182 IonicContact NE-OD2 3.57Å; R180-D182 PolarHBondContact NE-OD2 2.59Å; R180-Y208 HydrophobicContact CG-CD1 3.8Å; R180-Y208 HydrophobicContact CG-CE1 4.25Å; R180-Y208 WeakPolarHBondContact O-CD1 3.41Å; R180-G238 PolarHBondContact NH2-O 3.05Å
181T95.6Very high95.6Very high66 Ų6665.4 Ų65.441%0.40532%0.322SS..  trans-130.7115.3168.547.70000108.7Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.28Å; T181-E263 HydrophobicContact CG2-CG 4.18Å
182D96.9Very high95.5Very high50 Ų5069.5 Ų69.527%0.26735%0.349SS..BIsolated β-bridgetrans-102.2114178.9-64.5-38.6000108R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 2.64Å; R180-D182 IonicContact NE-OD2 3.57Å; R180-D182 PolarHBondContact NE-OD2 2.59Å; D182-F207 VanDerWaalsContact O-CA 3.24Å; D182-F207 WeakPolarHBondContact O-CA 3.38Å; D182-F207 WeakPolarHBondContact O-CB 3.37Å; D182-Y208 PolarHBondContact N-O 3.27Å; D182-Y208 PolarHBondContact O-N 3.47Å; D182-Y208 VanDerWaalsContact O-N 3.13Å; D182-H262 PolarHBondContact O-CE1 2.93Å
183P98Very high95.3Very high67 Ų6768.1 Ų68.144%0.43535%0.345SS..  trans-68.1145.5-179.125.7-32.7000111.7K185 L265P183-K185 PolarHBondContact O-N 2.82Å; P183-L265 HydrophobicContact CB-CD2 3.93Å
184P98.3Very high95.1Very high9 Ų968.3 Ų68.36%0.05835%0.35CS..  trans-65.7130.9178.527.4-34.9000111.9T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.29Å; P184-T186 PolarHBondContact O-N 3.28Å; P184-A204 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.92Å; P184-F207 HydrophobicContact CB-CG 4.15Å; P184-I212 HydrophobicContact CB-CD1 4.04Å; P184-I212 HydrophobicContact CG-CD1 4.07Å; P184-V260 HydrophobicContact CG-CG1 3.96Å; P184-H262 HydrophobicContact CG-CB 4.14Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.41Å; P184-L265 HydrophobicContact CG-CG 4.2Å
185K98.2Very high94.8Very high159 Ų15975.5 Ų75.569%0.69139%0.388SS*.EExtended strand (participates in β ladder)trans-76.1110.8163.4-64.9174.2-173.9168.80107.7P183 L205P183-K185 PolarHBondContact O-N 2.82Å; K185-L205 PolarHBondContact N-O 3.18Å; K185-L205 PolarHBondContact O-N 2.94Å
186T97.6Very high94.7Very high39 Ų3977.2 Ų77.224%0.23940%0.397CS..EExtended strand (participates in β ladder)trans-106.1143.5-175.1550000111.9P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.29Å; P184-T186 PolarHBondContact O-N 3.28Å; T186-W203 WeakPolarHBondContact CA-O 3.26Å; T186-W203 WeakPolarHBondContact CB-O 3.27Å; T186-A204 HydrophobicContact CG2-CB 4.35Å; T186-V260 HydrophobicContact CG2-CG1 4.27Å; T186-V260 HydrophobicContact CG2-CG2 4.11Å; T186-L269 HydrophobicContact CG2-CD1 4.38Å; T186-L271 HydrophobicContact CG2-CD1 4.07Å
187H95.3Very high94.8Very high78 Ų7872.8 Ų72.836%0.36138%0.377SS..EExtended strand (participates in β ladder)trans-156.3164.1171.567.9-77.8000110.1W203H187-W203 AromaticContact CD2-CD1 3.92Å; H187-W203 WeakPolarHBondContact CE1-CB 3.22Å; H187-W203 AromaticContact CE1-CD1 3.82Å; H187-W203 AromaticContact CE1-CG 3.51Å; H187-W203 PolarHBondContact N-O 3.15Å; H187-W203 AromaticContact NE2-CD1 3.41Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.99Å; H187-W203 PolarHBondContact O-N 2.61Å
188M95.7Very high94.9Very high33 Ų3370.6 Ų70.616%0.16336%0.364CS..EExtended strand (participates in β ladder)trans-115.9144.1177.6-67.3-179.476.300110.7L200 R201 W216 L271 W273M188-L200 HydrophobicContact CE-CD1 4.45Å; M188-R201 WeakPolarHBondContact CA-O 3.38Å; M188-W216 HydrophobicContact CE-CH2 3.17Å; M188-W216 HydrophobicContact CE-CZ2 4.02Å; M188-W216 HydrophobicContact CE-CZ3 3.84Å; M188-L271 HydrophobicContact CG-CB 4.26Å; M188-L271 HydrophobicContact SD-CB 3.71Å; M188-W273 HydrophobicContact CE-CB 3.9Å; M188-W273 HydrophobicContact SD-CB 4.36Å; M188-W273 PolarHBondContact SD-N 2.93Å
189T95.1Very high95Very high35 Ų3571.5 Ų71.522%0.21537%0.369CS..EExtended strand (participates in β ladder)trans-124.4141.1175.1510000108.8H191 R201 W203T189-H191 VanDerWaalsContact CB-CE1 3.45Å; T189-H191 WeakPolarHBondContact CB-CE1 3.38Å; T189-H191 PolarHBondContact OG1-CE1 3.32Å; T189-H191 VanDerWaalsContact OG1-CE1 3.3Å; T189-R201 PolarHBondContact N-O 3.48Å; T189-R201 PolarHBondContact O-N 3.3Å; T189-R201 WeakPolarHBondContact OG1-CB 3.4Å; T189-R201 PolarHBondContact OG1-O 3.02Å; T189-W203 PolarHBondContact OG1-NE1 3.08Å
190H94.8Very high95.2Very high59 Ų5967.2 Ų67.227%0.27335%0.349SS..EExtended strand (participates in β ladder)trans-121123.8-178.5168.6-89.9000108.8A198 T199 L200 W273H190-A198 WeakPolarHBondContact NE2-CB 3.32Å; H190-T199 WeakPolarHBondContact CA-O 3.28Å; H190-L200 HydrophobicContact CB-CD2 3.96Å; H190-W273 HydrophobicContact CB-CZ2 4.18Å; H190-W273 VanDerWaalsContact CB-NE1 3.25Å; H190-W273 AromaticContact CG-CE2 3.95Å; H190-W273 AromaticContact CG-CZ2 3.96Å; H190-W273 AromaticContact CG-NE1 3.96Å
191H94.2Very high95.4Very high79 Ų7966 Ų6637%0.36635%0.345SS..EExtended strand (participates in β ladder)trans-124.8104.1-177.6-54.885.3000108.6T189 I193 A198 T199 R201T189-H191 VanDerWaalsContact CB-CE1 3.45Å; T189-H191 WeakPolarHBondContact CB-CE1 3.38Å; T189-H191 PolarHBondContact OG1-CE1 3.32Å; T189-H191 VanDerWaalsContact OG1-CE1 3.3Å; H191-I193 PolarHBondContact O-N 3.29Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 WeakPolarHBondContact O-CA 3.15Å; H191-T199 PolarHBondContact N-O 3.17Å; H191-T199 PolarHBondContact O-N 2.92Å; H191-R201 PolarHBondContact CE1-NH1 3.07Å; H191-R201 VanDerWaalsContact CE1-NH1 3.27Å
192P93.6Very high95.5Very high100 Ų10062.9 Ų62.965%0.64933%0.325SS*.EExtended strand (participates in β ladder)trans-56.9131.2173-2131.1000110.6
193I92.3Very high95.6Very high98 Ų9862.6 Ų62.650%0.50332%0.321SS..  trans-98.4-45.2172.5-61.5162.1000109.2H191 E197 T199 V247H191-I193 PolarHBondContact O-N 3.29Å; I193-E197 PolarHBondContact N-O 3.08Å; I193-T199 VanDerWaalsContact CD1-OG1 3.26Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.34Å; I193-V247 HydrophobicContact CD1-CG1 4.05Å; I193-V247 HydrophobicContact CD1-CG2 4.09Å
194S92.8Very high95.6Very high53 Ų5359.4 Ų59.437%0.37130%0.3SS..SBendtrans-148.7-177.6178.671.30000110.3H196 E197S194-H196 PolarHBondContact O-N 3.13Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 3.41Å; S194-E197 PolarHBondContact N-O 2.96Å; S194-E197 VanDerWaalsContact N-O 3.07Å; S194-E197 VanDerWaalsContact O-O 3.12Å; S194-E197 PolarHBondContact OG-N 3.49Å
195D89.9Confident95.6Very high153 Ų15361.6 Ų61.682%0.81831%0.311SS*.SBendtrans-66.3-9.7172.8-64.9-21.4000113.4S250D195-S250 PolarHBondContact O-OG 2.04Å
196H93.1Very high95.6Very high144 Ų14455.1 Ų55.167%0.66729%0.29SS*.SBendtrans-114.4-16.8-175.4-56.5-45000113.5S194 P249 S250S194-H196 PolarHBondContact O-N 3.13Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 3.41Å; H196-P249 CarbonylContact O-C 3.55Å; H196-P249 WeakPolarHBondContact O-CA 3.12Å; H196-S250 PolarHBondContact O-N 2.89Å; H196-S250 PolarHBondContact O-OG 3.49Å
197E94.9Very high95.6Very high90 Ų9053.3 Ų53.342%0.42128%0.278SS..EExtended strand (participates in β ladder)trans-147.5147.1-170.7-66.4180174.100112.3I193 S194 V247 V248 S250I193-E197 PolarHBondContact N-O 3.08Å; S194-E197 PolarHBondContact N-O 2.96Å; S194-E197 VanDerWaalsContact N-O 3.07Å; S194-E197 VanDerWaalsContact O-O 3.12Å; S194-E197 PolarHBondContact OG-N 3.49Å; E197-V247 HydrophobicContact CB-CG1 4.1Å; E197-V247 HydrophobicContact CG-CG1 4.33Å; E197-V248 WeakPolarHBondContact CA-O 3.49Å; E197-S250 PolarHBondContact N-OG 2.89Å
198A95.3Very high95.7Very high1 Ų149.8 Ų49.81%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-137155.1172.600000111H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.32Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 WeakPolarHBondContact O-CA 3.15Å; A198-V247 WeakPolarHBondContact O-CA 3.36Å; A198-V248 PolarHBondContact N-O 2.85Å; A198-V248 PolarHBondContact O-N 3.47Å
199T96.9Very high95.7Very high22 Ų2249.2 Ų49.214%0.13526%0.261CS..EExtended strand (participates in β ladder)trans-91.4121.2167.4-530000109.6H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.28Å; H191-T199 PolarHBondContact N-O 3.17Å; H191-T199 PolarHBondContact O-N 2.92Å; I193-T199 VanDerWaalsContact CD1-OG1 3.26Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.34Å; T199-A245 HydrophobicContact CG2-CB 3.85Å; T199-V246 WeakPolarHBondContact CA-O 3.22Å
200L97.3Very high95.8Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-92.7127162.1-64.9-179.4000109.2M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CD1 4.45Å; H190-L200 HydrophobicContact CB-CD2 3.96Å; L200-W216 HydrophobicContact CB-CH2 3.55Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CD1-CH2 4.01Å; L200-W216 HydrophobicContact CD1-CZ3 4.31Å; L200-W216 HydrophobicContact CG-CH2 4.44Å; L200-A245 CarbonylContact O-C 3.6Å; L200-A245 WeakPolarHBondContact O-CA 3.5Å; L200-V246 HydrophobicContact CB-CG2 4.27Å; L200-V246 PolarHBondContact N-O 3.3Å; L200-V246 PolarHBondContact O-N 2.92Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 3.96Å; L200-V248 HydrophobicContact CG-CG1 4.2Å; L200-V248 HydrophobicContact CG-CG2 3.81Å; L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.39Å; L200-E253 HydrophobicContact CD2-CG 4.38Å; L200-W273 HydrophobicContact CD1-CB 4.21Å; L200-W273 HydrophobicContact CD2-CB 3.87Å; L200-W273 HydrophobicContact CD2-CD2 4.3Å; L200-W273 HydrophobicContact CD2-CG 3.72Å
201R97.8Very high95.9Very high51 Ų5152.3 Ų52.319%0.19228%0.275CS..EExtended strand (participates in β ladder)trans-122.1122175.6180-176.5-61.5121.93.3110.4M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.38Å; T189-R201 PolarHBondContact N-O 3.48Å; T189-R201 PolarHBondContact O-N 3.3Å; T189-R201 WeakPolarHBondContact OG1-CB 3.4Å; T189-R201 PolarHBondContact OG1-O 3.02Å; H191-R201 PolarHBondContact CE1-NH1 3.07Å; H191-R201 VanDerWaalsContact CE1-NH1 3.27Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.88Å; R201-W243 HydrophobicContact CG-CG 4.25Å; R201-A244 WeakPolarHBondContact CA-O 3.37Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.1Å
202C97.9Very high96.1Very high0 Ų049.1 Ų49.10%026%0.261CS..EExtended strand (participates in β ladder)trans-94.2123175.9-176.60000109.5W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.8Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.03Å; C202-W243 VanDerWaalsContact O-CB 3.22Å; C202-W243 WeakPolarHBondContact O-CB 3.29Å; C202-A244 PolarHBondContact N-O 3.04Å; C202-A244 PolarHBondContact O-N 2.66Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 VanDerWaalsContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.44Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.9Å
203W98.3Very high96.3Very high44 Ų4447 Ų4717%0.16725%0.246CC..EExtended strand (participates in β ladder)trans-107142.1-179-68.689.1000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.26Å; T186-W203 WeakPolarHBondContact CB-O 3.27Å; H187-W203 AromaticContact CD2-CD1 3.92Å; H187-W203 WeakPolarHBondContact CE1-CB 3.22Å; H187-W203 AromaticContact CE1-CD1 3.82Å; H187-W203 AromaticContact CE1-CG 3.51Å; H187-W203 PolarHBondContact N-O 3.15Å; H187-W203 AromaticContact NE2-CD1 3.41Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.99Å; H187-W203 PolarHBondContact O-N 2.61Å; T189-W203 PolarHBondContact OG1-NE1 3.08Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; W203-L205 HydrophobicContact CE3-CD2 3.96Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.14Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.7Å; W203-W243 HydrophobicContact CH2-CG 4.29Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.07Å
204A98.6Very high96.6Very high0 Ų042.7 Ų42.70%022%0.224CC..EExtended strand (participates in β ladder)trans-125.4122.3163.900000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.85Å; T186-A204 HydrophobicContact CG2-CB 4.35Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.45Å; A204-I212 HydrophobicContact CB-CD1 3.72Å; A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.24Å; A204-Q241 CarbonylContact O-C 3.42Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.49Å; A204-K242 PolarHBondContact N-O 2.87Å; A204-K242 PolarHBondContact O-N 3.23Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L98.4Very high96.8Very high55 Ų5542.1 Ų42.129%0.28822%0.218SC..EExtended strand (participates in β ladder)trans-129.8149.5-175.1-58.8179.2000111.3K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 3.18Å; K185-L205 PolarHBondContact O-N 2.94Å; W203-L205 HydrophobicContact CE3-CD2 3.96Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 3.1Å; L205-Q241 HydrophobicContact CD2-CB 3.52Å
206G97.9Very high97.2Very high24 Ų2434.9 Ų34.925%0.24718%0.18CC..EExtended strand (participates in β ladder)trans67.632.3167.800000113.9F240G206-F240 PolarHBondContact N-O 3.22Å
207F98.1Very high97.4Very high0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-102.9157-179.959.7-90000112.5D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.24Å; D182-F207 WeakPolarHBondContact O-CA 3.38Å; D182-F207 WeakPolarHBondContact O-CB 3.37Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 3.92Å; P184-F207 HydrophobicContact CB-CG 4.15Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.45Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 3.1Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.2Å; F207-I212 HydrophobicContact CD1-CD1 3.92Å; F207-I212 HydrophobicContact CD2-CB 4.27Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.55Å; F207-I212 HydrophobicContact CG-CD1 4.01Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.85Å; F207-T239 WeakPolarHBondContact O-CA 3.37Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.35Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.25Å; F207-F240 WeakPolarHBondContact CE1-O 3.17Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.47Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.64Å; F207-F240 PolarHBondContact N-O 3.1Å; F207-F240 PolarHBondContact O-N 3.45Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.63Å
208Y97.1Very high97.5Very high4 Ų429.6 Ų29.62%0.01615%0.152CC..BIsolated β-bridgetrans-151.1135.6173.4-178.7-85000108.9D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.48Å; T30-Y208 PolarHBondContact OG1-OH 3.02Å; R180-Y208 HydrophobicContact CG-CD1 3.8Å; R180-Y208 HydrophobicContact CG-CE1 4.25Å; R180-Y208 WeakPolarHBondContact O-CD1 3.41Å; T181-Y208 WeakPolarHBondContact CA-O 3.28Å; D182-Y208 PolarHBondContact N-O 3.27Å; D182-Y208 PolarHBondContact O-N 3.47Å; D182-Y208 VanDerWaalsContact O-N 3.13Å; Y208-G238 WeakPolarHBondContact CD2-O 3.44Å; Y208-F240 HydrophobicContact CD2-CD2 4.37Å; Y208-F240 AromaticContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CE2-CE2 4.31Å; Y208-H262 PolarHBondContact O-CE1 3.42Å
209P96.2Very high97.5Very high22 Ų2234.3 Ų34.314%0.14318%0.177CC..SBendcis-73.9-177.14.531.9-37.5000114.2D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.44Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.2Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 3.46Å; P209-H262 PolarHBondContact O-NE2 3.36Å
210A97.3Very high97.2Very high14 Ų1435.6 Ų35.612%0.11619%0.194CC..SBendtrans-71-23.6-177.400000113.7D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.16Å; D29-A210 VanDerWaalsContact CG-CB 3.47Å; D29-A210 WeakPolarHBondContact OD2-CB 3.3Å; D29-A210 PolarHBondContact OD2-N 3.5Å; A210-I212 PolarHBondContact O-N 3.42Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.43Å; A210-F240 HydrophobicContact CB-CD1 3.7Å; A210-F240 HydrophobicContact CB-CD2 3.73Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.75Å; A210-F240 HydrophobicContact CB-CZ 3.74Å
211E97.1Very high97.1Very high145 Ų14541.8 Ų41.868%0.67822%0.223SC*.  trans-66.9113.9-179.1-172.259.6-148.100110.6P209 H262P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 3.46Å; E211-H262 PolarHBondContact O-CD2 3.12Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å
212I98.1Very high97Very high11 Ų1144 Ų446%0.05624%0.239CC..  trans-149.6143-179.5-164.3170.6000109.5P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.04Å; P184-I212 HydrophobicContact CG-CD1 4.07Å; A204-I212 HydrophobicContact CB-CD1 3.72Å; F207-I212 HydrophobicContact CD1-CD1 3.92Å; F207-I212 HydrophobicContact CD2-CB 4.27Å; F207-I212 HydrophobicContact CD2-CD1 3.99Å; F207-I212 HydrophobicContact CE1-CD1 3.82Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.93Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.55Å; F207-I212 HydrophobicContact CG-CD1 4.01Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.86Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; A210-I212 PolarHBondContact O-N 3.42Å; I212-L214 HydrophobicContact CB-CD1 4.48Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.65Å; I212-L214 HydrophobicContact CG2-CD1 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 2.99Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.05Å
213T98Very high96.9Very high56 Ų5644.8 Ų44.834%0.34424%0.243SC..EExtended strand (participates in β ladder)trans-113.6124.3173.9-620000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 3.97Å; T213-V260 WeakPolarHBondContact O-CA 3.41Å; T213-Q261 PolarHBondContact N-O 2.82Å; T213-Q261 PolarHBondContact O-N 2.88Å
214L98Very high96.3Very high7 Ų747.8 Ų47.84%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-118.3121.2172.4-86.861.4000108.3A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.24Å; I212-L214 HydrophobicContact CB-CD1 4.48Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.65Å; I212-L214 HydrophobicContact CG2-CD1 4.11Å; L214-L229 HydrophobicContact CB-CD1 4.1Å; L214-K242 HydrophobicContact CD1-CD 4.22Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CD 4.44Å; L214-K242 HydrophobicContact CD2-CG 4.33Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.27Å; L214-H259 WeakPolarHBondContact CA-O 3.44Å; L214-V260 HydrophobicContact CD1-CG1 4.06Å; L214-V260 HydrophobicContact CD1-CG2 4.49Å; L214-V260 HydrophobicContact CG-CG2 4.3Å
215T97.3Very high95.7Very high41 Ų4156.9 Ų56.925%0.25231%0.309SS..EExtended strand (participates in β ladder)trans-130.4152.6175.659.30000111.4T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 3.97Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.35Å; T215-H259 PolarHBondContact N-O 2.9Å; T215-H259 PolarHBondContact O-N 2.88Å
216W97.8Very high95.1Very high2 Ų259.9 Ų59.91%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-109.1137.8172.5-83.2102.2000110.3M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.17Å; M188-W216 HydrophobicContact CE-CZ2 4.02Å; M188-W216 HydrophobicContact CE-CZ3 3.84Å; L200-W216 HydrophobicContact CB-CH2 3.55Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CD1-CH2 4.01Å; L200-W216 HydrophobicContact CD1-CZ3 4.31Å; L200-W216 HydrophobicContact CG-CH2 4.44Å; C202-W216 HydrophobicContact CB-CZ2 3.8Å; W216-Q223 HydrophobicContact CB-CB 4.19Å; W216-Q223 PolarHBondContact O-N 3.33Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 2.99Å; W216-V246 HydrophobicContact CB-CG1 3.73Å; W216-V246 HydrophobicContact CD2-CB 4.5Å; W216-V246 HydrophobicContact CD2-CG1 4.08Å; W216-V246 HydrophobicContact CD2-CG2 3.6Å; W216-V246 HydrophobicContact CE3-CG2 3.83Å; W216-V246 HydrophobicContact CG-CB 4.44Å; W216-V246 HydrophobicContact CG-CG1 3.55Å; W216-V246 HydrophobicContact CG-CG2 4.02Å; W216-V246 HydrophobicContact CH2-CG2 4Å; W216-V246 HydrophobicContact CZ2-CG2 3.88Å; W216-V246 HydrophobicContact CZ3-CG2 4.05Å; W216-T257 WeakPolarHBondContact CA-O 2.99Å; W216-T257 VanDerWaalsContact CE3-C 3.46Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.17Å; W216-C258 HydrophobicContact CH2-CB 4.26Å; W216-C258 HydrophobicContact CZ2-CB 4.19Å; W216-C258 HydrophobicContact CZ3-CB 4.2Å
217Q97.7Very high94.9Very high44 Ų4459.9 Ų59.921%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-124.4146.7172.1-67.8-173.4-11.600110.2E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.39Å; Q217-D222 VanDerWaalsContact CG-OD1 3.29Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.4Å; Q217-D222 PolarHBondContact NE2-OD1 3.43Å; Q217-Y256 CarbonylContact O-C 3.57Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.28Å; Q217-T257 PolarHBondContact N-O 2.92Å; Q217-T257 PolarHBondContact O-N 3.25Å; Q217-H259 PolarHBondContact OE1-NE2 3.38Å
218R96.8Very high94.8Very high79 Ų7965.3 Ų65.330%0.29835%0.345SS..EExtended strand (participates in β ladder)trans-118118.1167.2-178.4-178.566.2-165-5.1108.2G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 2.84Å; R218-E221 PolarHBondContact N-O 3.27Å; R218-E221 PolarHBondContact O-N 3.15Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; R218-R255 WeakPolarHBondContact CA-O 3.42Å; R218-R255 HydrophobicContact CG-CB 4.27Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.97Å; R218-Y256 WeakPolarHBondContact CD-OH 3.47Å; R218-Y256 HydrophobicContact CG-CD2 4.4Å; R218-Y256 HydrophobicContact CG-CE1 4.24Å; R218-Y256 HydrophobicContact CG-CE2 4.08Å
219D94.8Very high94.8Very high99 Ų9969.3 Ų69.353%0.52937%0.367SS..THydrogen-bonded Turntrans50.329.7-175.4-55.7-43.9000114.2R255D219-R255 PolarHBondContact N-O 2.67Å; D219-R255 IonicContact OD1-NE 2.81Å; D219-R255 IonicContact OD2-CZ 3.12Å; D219-R255 IonicContact OD2-NE 3.98Å; D219-R255 PolarHBondContact OD2-NE 3.45Å; D219-R255 IonicContact OD2-NH2 3.56Å; D219-R255 PolarHBondContact OD2-NH2 2.94Å
220G91.9Very high94.8Very high49 Ų4969.9 Ų69.951%0.50537%0.369SS..THydrogen-bonded Turntrans90.8-2.2-177.500000115.6R218R218-G220 PolarHBondContact O-N 2.84Å
221E95.3Very high94.8Very high130 Ų13077.3 Ų77.361%0.60740%0.402SS*.EExtended strand (participates in β ladder)trans-95.8127.7175.7-63-174.8166.300111.8Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.39Å; R218-E221 PolarHBondContact N-O 3.27Å; R218-E221 PolarHBondContact O-N 3.15Å; E221-Q223 PolarHBondContact O-NE2 3.16Å
222D95.2Very high94.9Very high98 Ų9872.6 Ų72.652%0.52438%0.383SS..EExtended strand (participates in β ladder)trans-61.6136.2-179.7-69.1-24.4000112.6Q217Q217-D222 VanDerWaalsContact CG-OD1 3.29Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.4Å; Q217-D222 PolarHBondContact NE2-OD1 3.43Å
223Q94.3Very high94.8Very high16 Ų1676.4 Ų76.48%0.07540%0.397CS..  trans-10934.8-177.3-58.5-60.1-7100112.7W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.19Å; W216-Q223 PolarHBondContact O-N 3.33Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; E221-Q223 PolarHBondContact O-NE2 3.16Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.27Å; Q223-D226 PolarHBondContact O-N 3.12Å; Q223-T227 WeakPolarHBondContact O-CB 3.48Å; Q223-T227 PolarHBondContact O-N 3.44Å; Q223-T227 VanDerWaalsContact O-N 3.12Å; Q223-T227 PolarHBondContact O-OG1 3.33Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å
224T86.1Confident94.8Very high107 Ų10778.1 Ų78.166%0.65641%0.409SS*.THydrogen-bonded Turntrans-58.3-35.3-168.7-48.80000114.3
225Q86.8Confident94.7Very high192 Ų19280.1 Ų80.190%0.89743%0.426SS*.THydrogen-bonded Turntrans-76.4-30.8-179-66.7-1746.400113.2Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.27Å; Q225-T227 VanDerWaalsContact C-N 3.34Å
226D85.8Confident94.5Very high117 Ų11781.9 Ų81.963%0.62645%0.453SS*.THydrogen-bonded Turntrans-94.12.3-178-56.7-49.6000112.3Q223Q223-D226 PolarHBondContact O-N 3.12Å
227T93.6Very high94.3Very high24 Ų2487.2 Ų87.215%0.14748%0.481CS..EExtended strand (participates in β ladder)trans-95.5120.9-179.8-62.60000110.9Q223 Q225 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.48Å; Q223-T227 PolarHBondContact O-N 3.44Å; Q223-T227 VanDerWaalsContact O-N 3.12Å; Q223-T227 PolarHBondContact O-OG1 3.33Å; Q225-T227 VanDerWaalsContact C-N 3.34Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.46Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; T227-A245 CarbonylContact C-O 3.56Å; T227-A245 WeakPolarHBondContact CA-O 3.43Å; T227-V246 HydrophobicContact CG2-CG1 4.38Å; T227-V246 VanDerWaalsContact OG1-CG1 3.28Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.02Å
228E96.3Very high94Very high114 Ų11487 Ų8753%0.53349%0.491SS..EExtended strand (participates in β ladder)trans-77.5106.4163.1-172.9-174.5-170.300109W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact O-CZ3 3.43Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.42Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.38Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.44Å; E228-A245 HydrophobicContact CB-CB 4.4Å; E228-A245 PolarHBondContact N-O 3.5Å; E228-A245 PolarHBondContact O-N 3.26Å
229L96.6Very high94Very high89 Ų8984 Ų8447%0.46648%0.481SS..EExtended strand (participates in β ladder)trans-112.9121.1179.1-17568.3000110L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.1Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.46Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
230V96.9Very high94.2Very high33 Ų3380.3 Ų80.320%0.246%0.461CS..PPolyproline II helixtrans-85.3152.4174-65.20000112.1K242 W243V230-K242 HydrophobicContact CG2-CG 4.4Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.2Å; V230-K242 WeakPolarHBondContact O-CG 3.37Å; V230-K242 PolarHBondContact O-NZ 3.46Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 4.01Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.6Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.16Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.38Å; V230-W243 WeakPolarHBondContact CG2-O 3.22Å; V230-W243 PolarHBondContact N-O 3.33Å
231E96.9Very high94.5Very high171 Ų17180.1 Ų80.180%0.79945%0.446SS*.PPolyproline II helixtrans-57.6150.3166.7-67.1-174164.500111.1R233E231-R233 PolarHBondContact O-N 3.46Å
232T98Very high94.6Very high45 Ų4574.9 Ų74.928%0.27642%0.422SS..PPolyproline II helixtrans-68.1130.9174.5-56.40000108.6F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.85Å; A210-T232 HydrophobicContact CB-CG2 4.27Å; A210-T232 WeakPolarHBondContact O-CG2 3.43Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; T232-K242 PolarHBondContact OG1-NZ 3.06Å
233R97.2Very high94.8Very high92 Ų9271.2 Ų71.235%0.34740%0.401SS..EExtended strand (participates in β ladder)trans-126145.8-175.169-166.7-179.6-165.82.6111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 3.46Å; R233-F240 WeakPolarHBondContact O-CA 3.44Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 2.85Å; R233-Q241 VanDerWaalsContact NE-OE1 3.14Å; R233-Q241 WeakPolarHBondContact O-CG 3.17Å; R233-Q241 PolarHBondContact O-N 2.89Å
234P97.1Very high95Very high92 Ų9270.5 Ų70.560%0.59740%0.397SS*.EExtended strand (participates in β ladder)trans-67.9145.3177.328.3-34.4000111.1F240P234-F240 HydrophobicContact CB-CE1 4.33Å
235A96.6Very high95.5Very high49 Ų4965.5 Ų65.541%0.40537%0.367SS..  trans-88.5-17.7172.900000112.9T239 Q241A235-T239 WeakPolarHBondContact CB-O 2.86Å; A235-T239 PolarHBondContact N-O 2.88Å; A235-Q241 HydrophobicContact CB-CG 4.5Å
236G93.5Very high96Very high78 Ų7856.5 Ų56.580%0.80433%0.325SS*.SBendtrans97.6-7.3179.200000114.9
237D92.8Very high96.6Very high113 Ų11354.4 Ų54.460%0.60432%0.316SS*.SBendtrans-107.114.4177.262-1.1000112.9T239D237-T239 WeakPolarHBondContact OD1-CB 3.24Å; D237-T239 PolarHBondContact OD1-N 2.73Å; D237-T239 PolarHBondContact OD1-OG1 3.06Å
238G92Very high96.7Very high40 Ų4053.2 Ų53.241%0.41231%0.309SS..SBendtrans84.16.3-173.900000114.4R180 Y208R180-G238 PolarHBondContact NH2-O 3.05Å; Y208-G238 WeakPolarHBondContact CD2-O 3.44Å
239T96.9Very high96.7Very high15 Ų1550 Ų509%0.09230%0.298CS..  trans-109.5173.3171.473.80000112.2F207 A235 D237F207-T239 WeakPolarHBondContact O-CA 3.37Å; A235-T239 WeakPolarHBondContact CB-O 2.86Å; A235-T239 PolarHBondContact N-O 2.88Å; D237-T239 WeakPolarHBondContact OD1-CB 3.24Å; D237-T239 PolarHBondContact OD1-N 2.73Å; D237-T239 PolarHBondContact OD1-OG1 3.06Å
240F98.3Very high96.4Very high22 Ų2248.5 Ų48.510%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-120.8162.6-177.3-63-84.4000112.5D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.51Å; G206-F240 PolarHBondContact N-O 3.22Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.35Å; F207-F240 HydrophobicContact CD2-CB 3.92Å; F207-F240 HydrophobicContact CE1-CB 4.25Å; F207-F240 WeakPolarHBondContact CE1-O 3.17Å; F207-F240 HydrophobicContact CE2-CB 3.47Å; F207-F240 VanDerWaalsContact CE2-CB 3.47Å; F207-F240 HydrophobicContact CE2-CG 4.47Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.64Å; F207-F240 PolarHBondContact N-O 3.1Å; F207-F240 PolarHBondContact O-N 3.45Å; Y208-F240 HydrophobicContact CD2-CD2 4.37Å; Y208-F240 AromaticContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CD2-CE2 3.89Å; Y208-F240 HydrophobicContact CE2-CE2 4.31Å; A210-F240 HydrophobicContact CB-CD1 3.7Å; A210-F240 HydrophobicContact CB-CD2 3.73Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.75Å; A210-F240 HydrophobicContact CB-CZ 3.74Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.11Å; R233-F240 WeakPolarHBondContact O-CA 3.44Å; P234-F240 HydrophobicContact CB-CE1 4.33Å
241Q98.4Very high96.1Very high45 Ų4550.1 Ų50.121%0.2132%0.319CS..EExtended strand (participates in β ladder)trans-141.3147.1174.441.5165.2-22.400110.2A204 L205 R233 A235A204-Q241 CarbonylContact O-C 3.42Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.49Å; L205-Q241 HydrophobicContact CD2-CB 3.52Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 2.85Å; R233-Q241 VanDerWaalsContact NE-OE1 3.14Å; R233-Q241 WeakPolarHBondContact O-CG 3.17Å; R233-Q241 PolarHBondContact O-N 2.89Å; A235-Q241 HydrophobicContact CB-CG 4.5Å
242K98.6Very high96Very high20 Ų2044.9 Ų44.99%0.08729%0.294CS..EExtended strand (participates in β ladder)trans-151.7154.3176.8-162.2-176.4-172.570.50109.1A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 2.87Å; A204-K242 PolarHBondContact O-N 3.23Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; L214-K242 HydrophobicContact CD1-CD 4.22Å; L214-K242 HydrophobicContact CD2-CB 4.32Å; L214-K242 HydrophobicContact CD2-CD 4.44Å; L214-K242 HydrophobicContact CD2-CG 4.33Å; V230-K242 HydrophobicContact CG2-CG 4.4Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.2Å; V230-K242 WeakPolarHBondContact O-CG 3.37Å; V230-K242 PolarHBondContact O-NZ 3.46Å; T232-K242 PolarHBondContact OG1-NZ 3.06Å
243W98.3Very high95.8Very high22 Ų2243.7 Ų43.78%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-143.7157.3169.459.3-98.1000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.88Å; R201-W243 HydrophobicContact CG-CG 4.25Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.03Å; C202-W243 VanDerWaalsContact O-CB 3.22Å; C202-W243 WeakPolarHBondContact O-CB 3.29Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.85Å; W203-W243 HydrophobicContact CE3-CG 4.14Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.7Å; W203-W243 HydrophobicContact CH2-CG 4.29Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.4Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.4Å; W203-W243 HydrophobicContact CZ3-CG 4.07Å; E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact O-CZ3 3.43Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.42Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.38Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 4.01Å; V230-W243 HydrophobicContact CG1-CE3 4.35Å; V230-W243 HydrophobicContact CG1-CH2 3.6Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.16Å; V230-W243 HydrophobicContact CG2-CD2 3.77Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.38Å; V230-W243 WeakPolarHBondContact CG2-O 3.22Å; V230-W243 PolarHBondContact N-O 3.33Å; W243-A245 HydrophobicContact CE3-CB 3.99Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
244A98.1Very high95.6Very high0 Ų043.8 Ų43.80%029%0.29CS..EExtended strand (participates in β ladder)trans-131.5133.7174.100000108.7R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.37Å; C202-A244 PolarHBondContact N-O 3.04Å; C202-A244 PolarHBondContact O-N 2.66Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.27Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 2.99Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.44Å; L229-A244 HydrophobicContact CD1-CB 3.61Å
245A97.6Very high95.5Very high2 Ų244.3 Ų44.32%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-126.8146.7-179.300000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.85Å; L200-A245 CarbonylContact O-C 3.6Å; L200-A245 WeakPolarHBondContact O-CA 3.5Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.1Å; T227-A245 CarbonylContact C-O 3.56Å; T227-A245 WeakPolarHBondContact CA-O 3.43Å; E228-A245 HydrophobicContact CB-CB 4.4Å; E228-A245 PolarHBondContact N-O 3.5Å; E228-A245 PolarHBondContact O-N 3.26Å; W243-A245 HydrophobicContact CE3-CB 3.99Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
246V97.6Very high95.6Very high4 Ų442.4 Ų42.42%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-133.4145.5174.6-72.70000109.4T199 L200 W216 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.22Å; L200-V246 HydrophobicContact CB-CG2 4.27Å; L200-V246 PolarHBondContact N-O 3.3Å; L200-V246 PolarHBondContact O-N 2.92Å; W216-V246 HydrophobicContact CB-CG1 3.73Å; W216-V246 HydrophobicContact CD2-CB 4.5Å; W216-V246 HydrophobicContact CD2-CG1 4.08Å; W216-V246 HydrophobicContact CD2-CG2 3.6Å; W216-V246 HydrophobicContact CE3-CG2 3.83Å; W216-V246 HydrophobicContact CG-CB 4.44Å; W216-V246 HydrophobicContact CG-CG1 3.55Å; W216-V246 HydrophobicContact CG-CG2 4.02Å; W216-V246 HydrophobicContact CH2-CG2 4Å; W216-V246 HydrophobicContact CZ2-CG2 3.88Å; W216-V246 HydrophobicContact CZ3-CG2 4.05Å; T227-V246 HydrophobicContact CG2-CG1 4.38Å; T227-V246 VanDerWaalsContact OG1-CG1 3.28Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.02Å; V246-V248 HydrophobicContact CB-CG1 4.44Å; V246-V248 HydrophobicContact CG2-CG1 3.78Å; V246-Y256 HydrophobicContact CG2-CD1 4.05Å; V246-Y256 HydrophobicContact CG2-CE1 4.48Å
247V97Very high95.8Very high72 Ų7239.1 Ų39.144%0.43623%0.227SC..EExtended strand (participates in β ladder)trans-84.5128.9167.4-179.30000107.8I193 E197 A198I193-V247 HydrophobicContact CD1-CG1 4.05Å; I193-V247 HydrophobicContact CD1-CG2 4.09Å; E197-V247 HydrophobicContact CB-CG1 4.1Å; E197-V247 HydrophobicContact CG-CG1 4.33Å; A198-V247 WeakPolarHBondContact O-CA 3.36Å
248V96.1Very high96Very high0 Ų033.8 Ų33.80%020%0.198CC..EExtended strand (participates in β ladder)trans-126.5142.5-177.7-53.20000110.2E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.49Å; A198-V248 PolarHBondContact N-O 2.85Å; A198-V248 PolarHBondContact O-N 3.47Å; L200-V248 HydrophobicContact CD1-CG1 3.97Å; L200-V248 HydrophobicContact CD1-CG2 3.96Å; L200-V248 HydrophobicContact CG-CG1 4.2Å; L200-V248 HydrophobicContact CG-CG2 3.81Å; V246-V248 HydrophobicContact CB-CG1 4.44Å; V246-V248 HydrophobicContact CG2-CG1 3.78Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; V248-Y256 HydrophobicContact CB-CD2 4.03Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.6Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å
249P95.8Very high96.3Very high46 Ų4633.4 Ų33.430%0.29919%0.186SC..EExtended strand (participates in β ladder)trans-62.3142.6170-20.632.5000111.2H196 G251 E252H196-P249 CarbonylContact O-C 3.55Å; H196-P249 WeakPolarHBondContact O-CA 3.12Å; P249-G251 PolarHBondContact O-N 2.81Å; P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.49Å; P249-E252 WeakPolarHBondContact O-CB 3.05Å; P249-E252 PolarHBondContact O-N 2.92Å
250S91.1Very high96.3Very high57 Ų5732.7 Ų32.740%0.39918%0.181SC..THydrogen-bonded Turntrans-59.6128.8176.7-640000111.2D195 H196 E197 E252 E253D195-S250 PolarHBondContact O-OG 2.04Å; H196-S250 PolarHBondContact O-N 2.89Å; H196-S250 PolarHBondContact O-OG 3.49Å; E197-S250 PolarHBondContact N-OG 2.89Å; S250-E252 VanDerWaalsContact C-N 3.33Å; S250-E253 WeakPolarHBondContact CA-OE1 3.47Å
251G90.3Very high96.4Very high68 Ų6836.5 Ų36.570%0.70120%0.199SC*.THydrogen-bonded Turntrans88.9-8-176.600000114.6P249 E253P249-G251 PolarHBondContact O-N 2.81Å; G251-E253 WeakPolarHBondContact CA-OE2 3.44Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.87Å; G251-E253 PolarHBondContact N-OE2 2.94Å
252E94.5Very high96.3Very high61 Ų6135.1 Ų35.129%0.28519%0.193SC..  trans-98.42.6175.9-64.6-162.4-160.300113.4P249 S250 Q254 R255 Y256P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.49Å; P249-E252 WeakPolarHBondContact O-CB 3.05Å; P249-E252 PolarHBondContact O-N 2.92Å; S250-E252 VanDerWaalsContact C-N 3.33Å; E252-Q254 PolarHBondContact O-N 3.44Å; E252-R255 VanDerWaalsContact CD-NH1 3.34Å; E252-R255 WeakPolarHBondContact O-CB 3.19Å; E252-R255 PolarHBondContact O-N 2.9Å; E252-R255 IonicContact OE1-NH1 3.67Å; E252-R255 IonicContact OE2-CZ 3.6Å; E252-R255 IonicContact OE2-NE 2.79Å; E252-R255 IonicContact OE2-NH1 2.71Å; E252-R255 PolarHBondContact OE2-NH1 3.43Å; E252-Y256 HydrophobicContact CB-CE2 4.35Å; E252-Y256 WeakPolarHBondContact O-CD2 3.47Å
253E94.1Very high96.2Very high20 Ų2041.2 Ų41.29%0.09322%0.222CC..G310 helixtrans-55.1-34-172.5-58.880.9-178.800112.6L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.39Å; L200-E253 HydrophobicContact CD2-CG 4.38Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; S250-E253 WeakPolarHBondContact CA-OE1 3.47Å; G251-E253 WeakPolarHBondContact CA-OE2 3.44Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.87Å; G251-E253 PolarHBondContact N-OE2 2.94Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.26Å; E253-Y256 PolarHBondContact O-N 3.37Å; E253-W273 HydrophobicContact CB-CD2 4.25Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.99Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.04Å
254Q93.6Very high96Very high94 Ų9440.9 Ų40.944%0.43923%0.225SC..G310 helixtrans-70.6-19.3-179.8-64-57.2-4600114.2E252 Y256 W273E252-Q254 PolarHBondContact O-N 3.44Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å; Q254-W273 PolarHBondContact NE2-O 2.78Å
255R95.7Very high96Very high102 Ų10242.1 Ų42.139%0.38523%0.231SC..G310 helixtrans-76.4-18.1175.7-61.9174.867.4-176.16.3111.9R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.42Å; R218-R255 HydrophobicContact CG-CB 4.27Å; D219-R255 PolarHBondContact N-O 2.67Å; D219-R255 IonicContact OD1-NE 2.81Å; D219-R255 IonicContact OD2-CZ 3.12Å; D219-R255 IonicContact OD2-NE 3.98Å; D219-R255 PolarHBondContact OD2-NE 3.45Å; D219-R255 IonicContact OD2-NH2 3.56Å; D219-R255 PolarHBondContact OD2-NH2 2.94Å; E252-R255 VanDerWaalsContact CD-NH1 3.34Å; E252-R255 WeakPolarHBondContact O-CB 3.19Å; E252-R255 PolarHBondContact O-N 2.9Å; E252-R255 IonicContact OE1-NH1 3.67Å; E252-R255 IonicContact OE2-CZ 3.6Å; E252-R255 IonicContact OE2-NE 2.79Å; E252-R255 IonicContact OE2-NH1 2.71Å; E252-R255 PolarHBondContact OE2-NH1 3.43Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.26Å
256Y96.8Very high95.9Very high9 Ų948.3 Ų48.34%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-96.1131-177.5-69.6-102.1000111.3Q217 R218 Q223 V246 V248 E252 E253 Q254Q217-Y256 CarbonylContact O-C 3.57Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.28Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.97Å; R218-Y256 WeakPolarHBondContact CD-OH 3.47Å; R218-Y256 HydrophobicContact CG-CD2 4.4Å; R218-Y256 HydrophobicContact CG-CE1 4.24Å; R218-Y256 HydrophobicContact CG-CE2 4.08Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å; V246-Y256 HydrophobicContact CG2-CD1 4.05Å; V246-Y256 HydrophobicContact CG2-CE1 4.48Å; V248-Y256 HydrophobicContact CB-CD2 4.03Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.6Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å; E252-Y256 HydrophobicContact CB-CE2 4.35Å; E252-Y256 WeakPolarHBondContact O-CD2 3.47Å; E253-Y256 PolarHBondContact O-N 3.37Å; Q254-Y256 VanDerWaalsContact C-N 3.25Å
257T97.6Very high95.9Very high10 Ų1055.9 Ų55.96%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-124.3133.9176.446.70000110.9W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 2.99Å; W216-T257 VanDerWaalsContact CE3-C 3.46Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; Q217-T257 PolarHBondContact N-O 2.92Å; Q217-T257 PolarHBondContact O-N 3.25Å; T257-H259 PolarHBondContact OG1-NE2 3.02Å; T257-T270 HydrophobicContact CG2-CG2 3.88Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 WeakPolarHBondContact CA-O 3.34Å; T257-R272 HydrophobicContact CG2-CG 3.52Å; T257-R272 VanDerWaalsContact CG2-NE 3.3Å
258C97.9Very high95.9Very high0 Ų056.3 Ų56.30%031%0.308CS..EExtended strand (participates in β ladder)trans-94.8127.9169.5173.70000109.7C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 VanDerWaalsContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.44Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 2.9Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.35Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.17Å; W216-C258 HydrophobicContact CH2-CB 4.26Å; W216-C258 HydrophobicContact CZ2-CB 4.19Å; W216-C258 HydrophobicContact CZ3-CB 4.2Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; C258-L271 HydrophobicContact CB-CB 4.25Å; C258-L271 PolarHBondContact N-O 3.49Å; C258-L271 PolarHBondContact O-N 3.46Å
259H97.9Very high96Very high33 Ų3359.2 Ų59.215%0.15332%0.323CS..EExtended strand (participates in β ladder)trans-107.1129.3177.7-63-103.2000109.8L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.44Å; T215-H259 PolarHBondContact N-O 2.9Å; T215-H259 PolarHBondContact O-N 2.88Å; Q217-H259 PolarHBondContact OE1-NE2 3.38Å; T257-H259 PolarHBondContact OG1-NE2 3.02Å; H259-L269 WeakPolarHBondContact CA-O 3.37Å; H259-T270 PolarHBondContact ND1-OG1 2.7Å
260V98.3Very high96Very high0 Ų060.9 Ų60.90%033%0.333CS..EExtended strand (participates in β ladder)trans-122.1119.7-178.4-175.10000109P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.96Å; T186-V260 HydrophobicContact CG2-CG1 4.27Å; T186-V260 HydrophobicContact CG2-CG2 4.11Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; T213-V260 WeakPolarHBondContact O-CA 3.41Å; L214-V260 HydrophobicContact CD1-CG1 4.06Å; L214-V260 HydrophobicContact CD1-CG2 4.49Å; L214-V260 HydrophobicContact CG-CG2 4.3Å; V260-L265 HydrophobicContact CG1-CD1 4.19Å; V260-P268 WeakPolarHBondContact O-CA 3.41Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3Å; V260-L269 PolarHBondContact O-N 2.89Å; V260-L271 HydrophobicContact CG2-CD1 3.85Å
261Q98.4Very high96.3Very high102 Ų10259.7 Ų59.748%0.47732%0.322SS..EExtended strand (participates in β ladder)trans-115.7128.9173.9-50.3-177.622.200109.2I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.3Å; I212-Q261 WeakPolarHBondContact CG1-O 2.99Å; T213-Q261 PolarHBondContact N-O 2.82Å; T213-Q261 PolarHBondContact O-N 2.88Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
262H98.1Very high96.5Very high15 Ų1563.8 Ų63.87%0.06932%0.316CS..  trans-155145.2-179-176-100.5000108.6D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.93Å; P184-H262 HydrophobicContact CG-CB 4.14Å; F207-H262 AromaticContact CD2-CD2 3.81Å; F207-H262 AromaticContact CD2-NE2 3.63Å; Y208-H262 PolarHBondContact O-CE1 3.42Å; P209-H262 PolarHBondContact O-NE2 3.36Å; E211-H262 PolarHBondContact O-CD2 3.12Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.05Å; H262-G264 VanDerWaalsContact C-N 3.25Å; H262-G264 PolarHBondContact ND1-N 2.91Å; H262-G264 PolarHBondContact O-N 2.84Å; H262-L265 HydrophobicContact CB-CD1 3.94Å; H262-L265 HydrophobicContact CB-CG 4.13Å; H262-L265 WeakPolarHBondContact O-CB 3.33Å; H262-L265 PolarHBondContact O-N 3.28Å
263E95.5Very high96.4Very high149 Ų14963 Ų6370%0.69631%0.311SS*.THydrogen-bonded Turntrans-60.8-34.3-178.2-175.2175.7169.600112.9T181 L265T181-E263 HydrophobicContact CG2-CG 4.18Å; E263-L265 PolarHBondContact O-N 3.04Å
264G95.3Very high95.9Very high15 Ų1569.7 Ų69.716%0.15534%0.342CS..THydrogen-bonded Turntrans-69.1-6.5174.300000115.1H262H262-G264 VanDerWaalsContact C-N 3.25Å; H262-G264 PolarHBondContact ND1-N 2.91Å; H262-G264 PolarHBondContact O-N 2.84Å
265L97.6Very high95.2Very high25 Ų2569 Ų6913%0.13135%0.345CS..SBendtrans-97.8128175.8-65.7170.2000110.3P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.93Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.41Å; P184-L265 HydrophobicContact CG-CG 4.2Å; V260-L265 HydrophobicContact CG1-CD1 4.19Å; H262-L265 HydrophobicContact CB-CD1 3.94Å; H262-L265 HydrophobicContact CB-CG 4.13Å; H262-L265 WeakPolarHBondContact O-CB 3.33Å; H262-L265 PolarHBondContact O-N 3.28Å; E263-L265 PolarHBondContact O-N 3.04Å; L265-K267 WeakPolarHBondContact CB-O 3.22Å; L265-K267 PolarHBondContact O-N 2.71Å; L265-L269 HydrophobicContact CD1-CB 4.49Å; L265-L269 HydrophobicContact CD1-CD1 3.91Å; L265-L269 HydrophobicContact CD1-CG 3.84Å; L265-L269 HydrophobicContact CD2-CD1 3.65Å; L265-L269 HydrophobicContact CD2-CG 3.94Å; L265-L269 HydrophobicContact CG-CD1 4.45Å; L265-L269 HydrophobicContact CG-CG 4.48Å
266P95.9Very high93.6Very high132 Ų13269.1 Ų69.186%0.85736%0.362SS*.SBendtrans-66-24.8178.127.2-34.8000112.6
267K96.8Very high91.2Very high164 Ų16474.1 Ų74.171%0.71340%0.398SS*.SBendtrans-146.5151.3173.4-64.4-176-177.7177.90109.1L265 L269L265-K267 WeakPolarHBondContact CB-O 3.22Å; L265-K267 PolarHBondContact O-N 2.71Å; K267-L269 PolarHBondContact O-N 2.85Å
268P97.1Very high88.7Confident80 Ų8081.4 Ų81.452%0.51943%0.431SS..  trans-51137.1171.2-28.336.6000112.1V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.41Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.13Å
269L97.4Very high86.1Confident62 Ų6286.4 Ų86.433%0.32546%0.464SS..EExtended strand (participates in β ladder)trans-87.9144.4172.9-65.6176.8000109.8T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.38Å; H259-L269 WeakPolarHBondContact CA-O 3.37Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 3Å; V260-L269 PolarHBondContact O-N 2.89Å; L265-L269 HydrophobicContact CD1-CB 4.49Å; L265-L269 HydrophobicContact CD1-CD1 3.91Å; L265-L269 HydrophobicContact CD1-CG 3.84Å; L265-L269 HydrophobicContact CD2-CD1 3.65Å; L265-L269 HydrophobicContact CD2-CG 3.94Å; L265-L269 HydrophobicContact CG-CD1 4.45Å; L265-L269 HydrophobicContact CG-CG 4.48Å; K267-L269 PolarHBondContact O-N 2.85Å
270T97.3Very high83.8Confident80 Ų8091.2 Ų91.249%0.49150%0.496SS..EExtended strand (participates in β ladder)trans-123.6117.9170.9-56.80000107.9T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.88Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; H259-T270 PolarHBondContact ND1-OG1 2.7Å
271L96.1Very high81.6Confident32 Ų3295 Ų9517%0.16852%0.518CS..EExtended strand (participates in β ladder)trans-107.7137.3-177.3-63.5146.4000108.9T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.07Å; M188-L271 HydrophobicContact CG-CB 4.26Å; M188-L271 HydrophobicContact SD-CB 3.71Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 WeakPolarHBondContact CA-O 3.34Å; C258-L271 HydrophobicContact CB-CB 4.25Å; C258-L271 PolarHBondContact N-O 3.49Å; C258-L271 PolarHBondContact O-N 3.46Å; V260-L271 HydrophobicContact CG2-CD1 3.85Å
272R94.3Very high79.5Confident155 Ų15594.2 Ų94.259%0.58552%0.523SS*.EExtended strand (participates in β ladder)trans-118149.5167.5-73.6-175.7177.8158-0.5108.7T257 E274T257-R272 HydrophobicContact CG2-CG 3.52Å; T257-R272 VanDerWaalsContact CG2-NE 3.3Å; R272-E274 PolarHBondContact O-N 3.23Å
273W92.6Very high77.7Confident45 Ų4599 Ų9917%0.1755%0.548CS..  trans-68.3124.9175.6174.769.7000109M188 H190 L200 E253 Q254 P275M188-W273 HydrophobicContact CE-CB 3.9Å; M188-W273 HydrophobicContact SD-CB 4.36Å; M188-W273 PolarHBondContact SD-N 2.93Å; H190-W273 HydrophobicContact CB-CZ2 4.18Å; H190-W273 VanDerWaalsContact CB-NE1 3.25Å; H190-W273 AromaticContact CG-CE2 3.95Å; H190-W273 AromaticContact CG-CZ2 3.96Å; H190-W273 AromaticContact CG-NE1 3.96Å; L200-W273 HydrophobicContact CD1-CB 4.21Å; L200-W273 HydrophobicContact CD2-CB 3.87Å; L200-W273 HydrophobicContact CD2-CD2 4.3Å; L200-W273 HydrophobicContact CD2-CG 3.72Å; E253-W273 HydrophobicContact CB-CD2 4.25Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.99Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.04Å; Q254-W273 PolarHBondContact NE2-O 2.78Å; W273-P275 HydrophobicContact CE3-CG 4.34Å; W273-P275 HydrophobicContact CH2-CB 3.9Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.06Å; W273-P275 HydrophobicContact CZ2-CG 4.2Å; W273-P275 HydrophobicContact CZ3-CB 4.45Å; W273-P275 HydrophobicContact CZ3-CG 3.74Å
274E85Confident75.8Confident160 Ų16097.6 Ų97.675%0.74855%0.549SS*.  trans-108.5125.9170-71-177.2175.500108.3R272 S276R272-E274 PolarHBondContact O-N 3.23Å; E274-S276 PolarHBondContact O-N 2.99Å
275P77.9Confident74.1Confident78 Ų7899 Ų9951%0.50656%0.564SS.*  trans-56.8126171.8-15.124.1000108.5W273 S277W273-P275 HydrophobicContact CE3-CG 4.34Å; W273-P275 HydrophobicContact CH2-CB 3.9Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.06Å; W273-P275 HydrophobicContact CZ2-CG 4.2Å; W273-P275 HydrophobicContact CZ3-CB 4.45Å; W273-P275 HydrophobicContact CZ3-CG 3.74Å; P275-S277 PolarHBondContact O-N 3.23Å
276S61.8Low72.7Confident105 Ų105102.4 Ų102.473%0.73458%0.581SS**  trans-57.4111.3179.161.60000109.4E274 Q278E274-S276 PolarHBondContact O-N 2.99Å; S276-Q278 PolarHBondContact O-N 2.83Å
277S47.5Very low71.3Confident114 Ų114100.8 Ų100.880%0.79756%0.564SS**  trans-75.462.9167.150.20000108.7P275 P279P275-S277 PolarHBondContact O-N 3.23Å; S277-P279 WeakPolarHBondContact O-CD 3.38Å
278Q44.8Very low70Confident163 Ų16395.3 Ų95.376%0.76255%0.549SS*.  trans-67.4112.3155.9-77.1-166.4-17.900105.2S276 T280S276-Q278 PolarHBondContact O-N 2.83Å; Q278-T280 PolarHBondContact O-N 3.26Å
279P42.8Very low68.9Low105 Ų10592.9 Ų92.968%0.68254%0.539SS*.  trans-59117.8166.225-29.1000104.7S277 V281S277-P279 WeakPolarHBondContact O-CD 3.38Å; P279-V281 PolarHBondContact O-N 2.87Å
280T49.8Very low68Low135 Ų13595.3 Ų95.383%0.82855%0.551SS**  trans-61.183.7160.9-36.70000104.7Q278 P282Q278-T280 PolarHBondContact O-N 3.26Å; T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.14Å
281V52.4Low67Low78 Ų7896 Ų9647%0.47356%0.555SS.*  trans-52.1117.9167.3176.90000102.7P279 I283 I286P279-V281 PolarHBondContact O-N 2.87Å; V281-I283 PolarHBondContact O-N 3.12Å; V281-I286 HydrophobicContact CG1-CD1 3.65Å
282P54.4Low66Low87 Ų87100.1 Ų100.157%0.56558%0.577SS**  trans-71.986.7-175.228.3-31.4000105.7T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.14Å; P282-V284 PolarHBondContact O-N 2.72Å; P282-V284 VanDerWaalsContact O-N 3.09Å; P282-G285 WeakPolarHBondContact O-CA 3.45Å; P282-G285 PolarHBondContact O-N 3.41Å; P282-I286 PolarHBondContact O-N 2.86Å
283I58.7Low65Low116 Ų11697.9 Ų97.960%0.59558%0.576SS**Hα-helixtrans-53.3-32.9176.9-68.4167.5000108.5V281 G285 I286 I287V281-I283 PolarHBondContact O-N 3.12Å; I283-G285 PolarHBondContact O-N 3.12Å; I283-I286 PolarHBondContact O-N 3.46Å; I283-I287 HydrophobicContact CG2-CD1 3.71Å; I283-I287 HydrophobicContact CG2-CG1 4.36Å; I283-I287 WeakPolarHBondContact O-CB 3.3Å; I283-I287 VanDerWaalsContact O-CG1 3.22Å; I283-I287 WeakPolarHBondContact O-CG1 3.41Å; I283-I287 PolarHBondContact O-N 2.95Å
284V56.6Low64.1Low119 Ų11997.4 Ų97.472%0.72159%0.586SS**Hα-helixtrans-61.1-41.1172.4-175.50000113P282 A288P282-V284 PolarHBondContact O-N 2.72Å; P282-V284 VanDerWaalsContact O-N 3.09Å; V284-A288 VanDerWaalsContact O-CB 3.29Å; V284-A288 WeakPolarHBondContact O-CB 3.42Å; V284-A288 PolarHBondContact O-N 2.92Å
285G59.6Low63.6Low45 Ų4592.5 Ų92.546%0.46457%0.572SS.*Hα-helixtrans-69.3-37.1178.800000112.9P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.45Å; P282-G285 PolarHBondContact O-N 3.41Å; I283-G285 PolarHBondContact O-N 3.12Å; G285-G289 PolarHBondContact O-N 2.69Å
286I67.4Low63.7Low96 Ų9693.6 Ų93.649%0.49258%0.577SS.*Hα-helixtrans-69.7-43.3175.6-61.1175.6000110.5V281 P282 I283 G289 L290V281-I286 HydrophobicContact CG1-CD1 3.65Å; P282-I286 PolarHBondContact O-N 2.86Å; I283-I286 PolarHBondContact O-N 3.46Å; I286-G289 PolarHBondContact O-N 2.95Å; I286-L290 HydrophobicContact CG2-CD1 3.99Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 WeakPolarHBondContact O-CG 3.32Å; I286-L290 PolarHBondContact O-N 3.27Å
287I67.8Low64.3Low97 Ų9793.8 Ų93.850%0.49757%0.569SS.*Hα-helixtrans-63.8-46.1176.7-67.8168.9000110.7I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.71Å; I283-I287 HydrophobicContact CG2-CG1 4.36Å; I283-I287 WeakPolarHBondContact O-CB 3.3Å; I283-I287 VanDerWaalsContact O-CG1 3.22Å; I283-I287 WeakPolarHBondContact O-CG1 3.41Å; I283-I287 PolarHBondContact O-N 2.95Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 2.73Å; I287-L290 PolarHBondContact O-N 3.26Å; I287-V291 HydrophobicContact CG2-CG2 4.3Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.44Å; I287-V291 PolarHBondContact O-N 2.89Å
288A68.6Low65.4Low49 Ų4992.6 Ų92.641%0.40556%0.557SS.*Hα-helixtrans-60.7-42.2176.900000111.9V284 V291 L292V284-A288 VanDerWaalsContact O-CB 3.29Å; V284-A288 WeakPolarHBondContact O-CB 3.42Å; V284-A288 PolarHBondContact O-N 2.92Å; A288-V291 PolarHBondContact O-N 3.12Å; A288-L292 WeakPolarHBondContact O-CB 3.34Å; A288-L292 VanDerWaalsContact O-CG 3.3Å; A288-L292 WeakPolarHBondContact O-CG 3.47Å; A288-L292 PolarHBondContact O-N 3.14Å
289G73.6Confident66.8Low30 Ų3086.8 Ų86.831%0.30954%0.541SS..Hα-helixtrans-61.9-43.9175.400000113.2G285 I286 I287 L292 L293G285-G289 PolarHBondContact O-N 2.69Å; I286-G289 PolarHBondContact O-N 2.95Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 2.73Å; G289-L292 PolarHBondContact O-N 3.24Å; G289-L293 WeakPolarHBondContact O-CB 3.49Å; G289-L293 WeakPolarHBondContact O-CG 3.5Å; G289-L293 PolarHBondContact O-N 2.99Å
290L78.7Confident68.3Low112 Ų11284.6 Ų84.659%0.58653%0.531SS*.Hα-helixtrans-67.9-38.6178-73.3170.6000112.7I286 I287 L293 G294I286-L290 HydrophobicContact CG2-CD1 3.99Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 WeakPolarHBondContact O-CB 3.4Å; I286-L290 WeakPolarHBondContact O-CG 3.32Å; I286-L290 PolarHBondContact O-N 3.27Å; I287-L290 PolarHBondContact O-N 3.26Å; L290-L293 PolarHBondContact O-N 3.11Å; L290-G294 PolarHBondContact O-N 2.87Å
291V77.5Confident69.5Low95 Ų9582 Ų8258%0.57652%0.515SS*.Hα-helixtrans-65.5-42.5175.9171.50000110.8I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.3Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.44Å; I287-V291 PolarHBondContact O-N 2.89Å; A288-V291 PolarHBondContact O-N 3.12Å; V291-G294 PolarHBondContact O-N 3.36Å; V291-A295 WeakPolarHBondContact O-CB 3.34Å; V291-A295 PolarHBondContact O-N 2.89Å
292L73.6Confident70.6Confident118 Ų11882.3 Ų82.362%0.61852%0.517SS*.Hα-helixtrans-64.6-44.7176.4-74.3169.2000111.9A288 G289 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.34Å; A288-L292 VanDerWaalsContact O-CG 3.3Å; A288-L292 WeakPolarHBondContact O-CG 3.47Å; A288-L292 PolarHBondContact O-N 3.14Å; G289-L292 PolarHBondContact O-N 3.24Å; L292-A295 PolarHBondContact O-N 3.49Å; L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 2.83Å
293L73.8Confident71.3Confident108 Ų10880.8 Ų80.857%0.56551%0.512SS*.Hα-helixtrans-61.3-44.7175.1-83.3160.9000111.7G289 L290 A295 V296 I297G289-L293 WeakPolarHBondContact O-CB 3.49Å; G289-L293 WeakPolarHBondContact O-CG 3.5Å; G289-L293 PolarHBondContact O-N 2.99Å; L290-L293 PolarHBondContact O-N 3.11Å; L293-A295 PolarHBondContact O-N 2.92Å; L293-V296 PolarHBondContact O-N 3.47Å; L293-I297 VanDerWaalsContact O-CG1 3.26Å; L293-I297 WeakPolarHBondContact O-CG1 3.48Å; L293-I297 PolarHBondContact O-N 2.88Å
294G73.5Confident71.9Confident36 Ų3678 Ų7837%0.37151%0.507SS..Hα-helixtrans-56.6-50.7174.600000111.5L290 V291 V296 I297 T298L290-G294 PolarHBondContact O-N 2.87Å; V291-G294 PolarHBondContact O-N 3.36Å; G294-V296 PolarHBondContact O-N 3.31Å; G294-I297 PolarHBondContact O-N 2.86Å; G294-T298 PolarHBondContact O-N 2.83Å; G294-T298 PolarHBondContact O-OG1 3.41Å
295A75.4Confident72.6Confident56 Ų5676.7 Ų76.746%0.46350%0.498SS..Hα-helixtrans-58.5-44.9179.200000112.5V291 L292 L293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.34Å; V291-A295 PolarHBondContact O-N 2.89Å; L292-A295 PolarHBondContact O-N 3.49Å; L293-A295 PolarHBondContact O-N 2.92Å; A295-T298 WeakPolarHBondContact CA-OG1 2.84Å; A295-T298 PolarHBondContact O-N 2.91Å; A295-T298 PolarHBondContact O-OG1 3.18Å; A295-T298 VanDerWaalsContact O-OG1 3.07Å; A295-G299 PolarHBondContact O-N 3.31Å
296V79.1Confident73.2Confident102 Ų10280.7 Ų80.762%0.61851%0.507SS*.Hα-helixtrans-62.5-43.5177.41720000111.3L292 L293 G294 G299 A300L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 2.83Å; L293-V296 PolarHBondContact O-N 3.47Å; G294-V296 PolarHBondContact O-N 3.31Å; V296-G299 PolarHBondContact O-N 3.04Å; V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 2.7Å
297I74.6Confident73.3Confident109 Ų10986.1 Ų86.156%0.55952%0.521SS*.Hα-helixtrans-64.6-47.2178.6-66.6166.8000110.3L293 G294 G299 A300 V301L293-I297 VanDerWaalsContact O-CG1 3.26Å; L293-I297 WeakPolarHBondContact O-CG1 3.48Å; L293-I297 PolarHBondContact O-N 2.88Å; G294-I297 PolarHBondContact O-N 2.86Å; I297-G299 VanDerWaalsContact C-N 3.34Å; I297-G299 PolarHBondContact O-N 3.25Å; I297-A300 PolarHBondContact O-N 3.48Å; I297-V301 HydrophobicContact CG2-CG2 4.44Å; I297-V301 VanDerWaalsContact O-CG2 3.29Å; I297-V301 WeakPolarHBondContact O-CG2 3.41Å; I297-V301 PolarHBondContact O-N 3.35Å
298T71.8Confident73.1Confident88 Ų8891 Ų9154%0.5453%0.533SS..Hα-helixtrans-60.5-42.2174.723.10000112.3G294 A295 V301 V302G294-T298 PolarHBondContact O-N 2.83Å; G294-T298 PolarHBondContact O-OG1 3.41Å; A295-T298 WeakPolarHBondContact CA-OG1 2.84Å; A295-T298 PolarHBondContact O-N 2.91Å; A295-T298 PolarHBondContact O-OG1 3.18Å; A295-T298 VanDerWaalsContact O-OG1 3.07Å; T298-V301 PolarHBondContact O-N 3.1Å; T298-V302 WeakPolarHBondContact O-CB 3.42Å; T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.21Å; T298-V302 PolarHBondContact O-N 2.84Å
299G73.4Confident72.6Confident41 Ų4198 Ų9842%0.42355%0.549SS..Hα-helixtrans-61.2-44.5176.600000112.4A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 3.31Å; V296-G299 PolarHBondContact O-N 3.04Å; I297-G299 VanDerWaalsContact C-N 3.34Å; I297-G299 PolarHBondContact O-N 3.25Å; G299-V302 PolarHBondContact O-N 3.12Å; G299-A303 WeakPolarHBondContact O-CB 3.23Å; G299-A303 PolarHBondContact O-N 3.3Å
300A74.5Confident71.6Confident59 Ų59103.1 Ų103.149%0.48857%0.569SS.*Hα-helixtrans-64.8-41.2177.300000112.3V296 I297 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 2.7Å; I297-A300 PolarHBondContact O-N 3.48Å; A300-A303 PolarHBondContact O-N 2.98Å; A300-A304 VanDerWaalsContact O-CB 3.28Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 3.48Å
301V75.4Confident70.4Confident82 Ų82101.1 Ų101.150%0.49757%0.565SS.*Hα-helixtrans-65.5-45.2176.8172.50000111I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.44Å; I297-V301 VanDerWaalsContact O-CG2 3.29Å; I297-V301 WeakPolarHBondContact O-CG2 3.41Å; I297-V301 PolarHBondContact O-N 3.35Å; T298-V301 PolarHBondContact O-N 3.1Å; V301-A303 PolarHBondContact O-N 3.49Å; V301-A304 PolarHBondContact O-N 3.31Å; V301-V305 HydrophobicContact CG1-CG2 4.34Å; V301-V305 WeakPolarHBondContact O-CB 3.4Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.33Å; V301-V305 PolarHBondContact O-N 3.34Å
302V74.1Confident69.2Low83 Ų83100.9 Ų100.950%0.50357%0.567SS.*Hα-helixtrans-62.3-44.6177.1172.60000110.7T298 G299 A304 V305 M306T298-V302 WeakPolarHBondContact O-CB 3.42Å; T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.21Å; T298-V302 PolarHBondContact O-N 2.84Å; G299-V302 PolarHBondContact O-N 3.12Å; V302-A304 PolarHBondContact O-N 3.11Å; V302-V305 PolarHBondContact O-N 3.17Å; V302-M306 HydrophobicContact CG1-CG 4.46Å; V302-M306 HydrophobicContact CG1-SD 4.12Å; V302-M306 WeakPolarHBondContact O-CB 3.45Å; V302-M306 WeakPolarHBondContact O-CG 3.34Å; V302-M306 PolarHBondContact O-N 3.15Å
303A70.7Confident67.9Low55 Ų55102.5 Ų102.546%0.45558%0.576SS.*Hα-helixtrans-61.6-43.6176.200000112.1G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.23Å; G299-A303 PolarHBondContact O-N 3.3Å; A300-A303 PolarHBondContact O-N 2.98Å; V301-A303 PolarHBondContact O-N 3.49Å; A303-M306 PolarHBondContact O-N 2.79Å; A303-W307 WeakPolarHBondContact O-CB 3.34Å; A303-W307 PolarHBondContact O-N 2.86Å
304A71.4Confident66.5Low59 Ų59107.7 Ų107.749%0.48859%0.589SS.*Hα-helixtrans-64.8-41.317700000112.4A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.28Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 3.48Å; V301-A304 PolarHBondContact O-N 3.31Å; V302-A304 PolarHBondContact O-N 3.11Å; A304-W307 PolarHBondContact O-N 3.2Å; A304-R308 WeakPolarHBondContact O-CB 3.48Å; A304-R308 PolarHBondContact O-N 3.41Å
305V71.1Confident64.8Low90 Ų90115.7 Ų115.755%0.54561%0.613SS.*Hα-helixtrans-66.2-42.7176.3170.60000111.1V301 V302 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.34Å; V301-V305 WeakPolarHBondContact O-CB 3.4Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.33Å; V301-V305 PolarHBondContact O-N 3.34Å; V302-V305 PolarHBondContact O-N 3.17Å; V305-R308 PolarHBondContact O-N 2.88Å; V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 3.41Å
306M71.5Confident62.9Low130 Ų130116.8 Ų116.864%0.6463%0.63SS**Hα-helixtrans-62.9-41.7175.1-74.1-176.869.300111.7V302 A303 R308 R309 N310V302-M306 HydrophobicContact CG1-CG 4.46Å; V302-M306 HydrophobicContact CG1-SD 4.12Å; V302-M306 WeakPolarHBondContact O-CB 3.45Å; V302-M306 WeakPolarHBondContact O-CG 3.34Å; V302-M306 PolarHBondContact O-N 3.15Å; A303-M306 PolarHBondContact O-N 2.79Å; M306-R308 VanDerWaalsContact C-N 3.34Å; M306-R308 PolarHBondContact O-N 3.14Å; M306-R309 PolarHBondContact O-N 3.36Å; M306-N310 PolarHBondContact O-N 3.01Å
307W69.6Low60.8Low209 Ų209115.8 Ų115.879%0.79264%0.64SS**Hα-helixtrans-62.2-43.2174.8-158.5-46.8000111.3A303 A304 R309 N310 S311A303-W307 WeakPolarHBondContact O-CB 3.34Å; A303-W307 PolarHBondContact O-N 2.86Å; A304-W307 PolarHBondContact O-N 3.2Å; W307-R309 VanDerWaalsContact C-N 3.33Å; W307-R309 PolarHBondContact O-N 3.15Å; W307-N310 PolarHBondContact O-N 2.95Å; W307-S311 PolarHBondContact O-N 3.05Å; W307-S311 VanDerWaalsContact O-N 3.08Å; W307-S311 PolarHBondContact O-OG 3.32Å
308R63.3Low58.9Low200 Ų200116.5 Ų116.576%0.75566%0.655SS**Hα-helixtrans-67.6-32.7179.5-153.1174.9-168.2177.73.1112.6A304 V305 M306 S311 S312A304-R308 WeakPolarHBondContact O-CB 3.48Å; A304-R308 PolarHBondContact O-N 3.41Å; V305-R308 PolarHBondContact O-N 2.88Å; M306-R308 VanDerWaalsContact C-N 3.34Å; M306-R308 PolarHBondContact O-N 3.14Å; R308-S311 WeakPolarHBondContact CA-OG 3.3Å; R308-S311 PolarHBondContact O-OG 3.01Å; R308-S311 VanDerWaalsContact O-OG 3.12Å; R308-S312 PolarHBondContact O-N 3.48Å; R308-S312 PolarHBondContact O-OG 3.16Å
309R57.2Low57.2Low197 Ų197122.6 Ų122.674%0.74367%0.67SS**Hα-helixtrans-72.8-31.8175.3-165.5173.4173.4168.3-1.8112.3V305 M306 W307 S312V305-R309 WeakPolarHBondContact O-CB 3.46Å; V305-R309 PolarHBondContact O-N 3.41Å; M306-R309 PolarHBondContact O-N 3.36Å; W307-R309 VanDerWaalsContact C-N 3.33Å; W307-R309 PolarHBondContact O-N 3.15Å; R309-S312 PolarHBondContact O-OG 3.06Å; R309-S312 VanDerWaalsContact O-OG 3.07Å
310N53.7Low55.4Low137 Ų137126.7 Ų126.773%0.73369%0.692SS**Hα-helixtrans-80.3-18.8176.2-128.415.9000113.3M306 W307M306-N310 PolarHBondContact O-N 3.01Å; W307-N310 PolarHBondContact O-N 2.95Å
311S53.2Low53.6Low70 Ų70132.6 Ų132.649%0.4971%0.709SS.*Hα-helixtrans-91.5-17.4175.561.50000114W307 R308W307-S311 PolarHBondContact O-N 3.05Å; W307-S311 VanDerWaalsContact O-N 3.08Å; W307-S311 PolarHBondContact O-OG 3.32Å; R308-S311 WeakPolarHBondContact CA-OG 3.3Å; R308-S311 PolarHBondContact O-OG 3.01Å; R308-S311 VanDerWaalsContact O-OG 3.12Å
312S51.7Low51.7Low89 Ų89133.2 Ų133.262%0.62272%0.723SS**THydrogen-bonded Turntrans-80.5-14.2176.7530000114.8R308 R309 R314R308-S312 PolarHBondContact O-N 3.48Å; R308-S312 PolarHBondContact O-OG 3.16Å; R309-S312 PolarHBondContact O-OG 3.06Å; R309-S312 VanDerWaalsContact O-OG 3.07Å; S312-R314 PolarHBondContact O-N 2.87Å
313D46.2Very low49.8Very low152 Ų152133.6 Ų133.681%0.81374%0.735SS**THydrogen-bonded Turntrans-82.46.2175.3-101.9-10.3000113.8
314R45.2Very low48.1Very low218 Ų218136.6 Ų136.682%0.82375%0.753SS**SBendtrans-139.366.9-176.1-156.3176-178166.70.7112.9S312S312-R314 PolarHBondContact O-N 2.87Å
315K37.6Very low46.4Very low203 Ų203138.9 Ų138.988%0.88377%0.765SS**  trans-172.896.1142.1-105.6161.8-178.5-177.30111.3
316G35.6Very low44.8Very low79 Ų79141.9 Ų141.981%0.81478%0.778SS**  trans-62154.915400000110.5
317G36.2Very low43.4Very low82 Ų82141.3 Ų141.385%0.84579%0.787SS**  trans-79.8173.2-156.700000116.3
318S34.4Very low41.9Very low124 Ų124135.5 Ų135.587%0.86778%0.783SS**  trans-157125.7141.9-174.60000108.8
319Y36.2Very low40.9Very low215 Ų215134.9 Ų134.984%0.84379%0.789SS**  trans-66.9147.1170.2-94-107.5000111.2
320S35.4Very low39.9Very low128 Ų128128.9 Ų128.990%0.89579%0.788SS**  trans-161.1138.4131.642.70000111.5
321Q36.7Very low39.5Very low182 Ų182127.8 Ų127.885%0.8579%0.791SS**  trans-109145.2-164.2173.6-174.54.500109.7
322A34.5Very low38.7Very low96 Ų96131.6 Ų131.679%0.79381%0.806SS**  trans150.7143.3146.400000109.4
323A35.4Very low38.1Very low90 Ų90133 Ų13374%0.74481%0.811SS**  cis-175.9150-14.900000106.2
324S33.7Very low37.8Very low118 Ų118130.2 Ų130.283%0.82580%0.803SS**  trans64.1126.9153.1177.70000116.7
325S35.7Very low37.6Very low107 Ų107127.2 Ų127.275%0.74880%0.803SS**  -161153.25348.80000113.1
326D37.8Very low37.7Very low154 Ų154123.7 Ų123.782%0.82480%0.798SS**  trans-46.7145.2172.6-64.8-54.4000115.5
327S41.8Very low38Very low118 Ų118123.9 Ų123.983%0.82579%0.792SS**  -173.8129108.946.10000111.8
328A39.3Very low38.1Very low86 Ų86125.8 Ų125.871%0.71179%0.791SS**  trans-28.4160.7156.200000114.4
329Q42.2Very low38.3Very low188 Ų188129 Ų12988%0.87979%0.79SS**  cis178.5141.838.3-149.91643.200108.1
330G35.9Very low38.7Very low70 Ų70129 Ų12972%0.72281%0.811SS**  trans68.3150.5144.500000118.2
331S44.1Very low38.8Very low115 Ų115129.1 Ų129.180%0.80481%0.807SS**  cis-164.9121.82.2-34.70000101.7
332D38Very low38.9Very low149 Ų149126.3 Ų126.380%0.79781%0.805SS**  58.1141.272.1-125.9-8.6000116.7
333V38.7Very low39.2Very low119 Ų119127.9 Ų127.972%0.72181%0.806SS**  trans83.6102.3171.3-165.70000115.2
334S40.1Very low39.4Very low94 Ų94130.2 Ų130.266%0.65781%0.809SS**  cis77.8141.145.8-53.80000116
335L39.7Very low39.7Very low155 Ų155130.9 Ų130.981%0.81281%0.808SS**  trans82.7141.4161.4-53.9165.9000114.9
336T40.9Very low40Very low128 Ų128132.5 Ų132.579%0.78581%0.812SS**  cis-162.3159.119.3-23.10000110.2
337A41.9Very low40.2Very low83 Ų83131 Ų13169%0.68681%0.812SS**  trans-64.6156.1164.900000113.8
338C37.5Very low40.1Very low123 Ų123132 Ų13283%0.83181%0.81SS**  169.7135109-103.30000113.5
339K37.7Very low40.1Very low192 Ų192135.8 Ų135.884%0.83582%0.819SS**  trans24.8127.3137.1-101.8175.7173.4176.50120.1
340V44.7Very low39.9Very low214 Ų214131.1 Ų131.1100%1.29781%0.813SS**  -135.30105.8176.20000108

Retrieved 340 of 340 residues in 1392 ms (Link to these results)

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