A0A060VCZ3_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCZ3, 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
1S91.6Very high97.4Very high107 Ų10738.5 Ų38.575%0.74821%0.212SC*.  0162040.30000107.4V102S1-V102 WeakPolarHBondContact CA-O 3.33Å; S1-V102 VanDerWaalsContact CB-O 3.26Å; S1-V102 WeakPolarHBondContact CB-O 3.43Å
2H94.9Very high97.4Very high38 Ų3836.3 Ų36.318%0.17620%0.201CC..EExtended strand (participates in β ladder)trans-134.7160.6179-64.4-76000110.8D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.44Å; H2-D28 IonicContact CE1-OD2 3.41Å; H2-D28 IonicContact CG-OD2 2.64Å; H2-D28 IonicContact ND1-OD1 2.68Å; H2-D28 IonicContact ND1-OD2 3.45Å; H2-D28 PolarHBondContact ND1-OD2 2.95Å; H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.42Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 3.31Å; H2-V102 PolarHBondContact O-N 3.49Å; H2-L167 HydrophobicContact CB-CD1 4.43Å; H2-L167 HydrophobicContact CB-CD2 4.41Å; H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.21Å
3S97Very high97.3Very high22 Ų2238.7 Ų38.715%0.15421%0.205CC..EExtended strand (participates in β ladder)trans-137.8151.4178.365.50000111.7V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.43Å; S3-V27 WeakPolarHBondContact O-CA 3.32Å; S3-D28 PolarHBondContact N-OD1 2.89Å; S3-D28 PolarHBondContact O-N 3.36Å; S3-D28 PolarHBondContact OG-OD1 2.87Å; S3-C100 WeakPolarHBondContact CA-O 3.38Å; S3-D101 WeakPolarHBondContact CB-OD1 3.29Å
4M98Very high97Very high4 Ų439.6 Ų39.62%0.0222%0.215CC..EExtended strand (participates in β ladder)trans-125.2121.5166.5-17617061.100108.2Y6 Y26 V27 F32 G99 C100 C163 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.13Å; M4-Y6 HydrophobicContact CG-CE2 3.91Å; M4-Y6 HydrophobicContact SD-CE2 3.94Å; M4-Y26 CarbonylContact C-O 3.49Å; M4-Y26 WeakPolarHBondContact CA-O 3.46Å; M4-V27 HydrophobicContact CG-CG2 4.4Å; M4-F32 HydrophobicContact CG-CE1 4.49Å; M4-F32 HydrophobicContact SD-CZ 4.36Å; M4-G99 CarbonylContact O-C 3.52Å; M4-G99 WeakPolarHBondContact O-CA 3.34Å; M4-C100 PolarHBondContact N-O 3.04Å; M4-C100 PolarHBondContact O-N 3.06Å; M4-C163 HydrophobicContact CE-CB 4.18Å; M4-C163 WeakPolarHBondContact CE-O 3.45Å; M4-C163 VanDerWaalsContact CE-SG 3.54Å; M4-L167 HydrophobicContact CB-CB 4.08Å; M4-L167 HydrophobicContact CB-CD1 4.09Å; M4-L167 HydrophobicContact CB-CD2 4.12Å; M4-L167 HydrophobicContact CB-CG 4.32Å; M4-L167 HydrophobicContact CE-CB 4.38Å; M4-Y170 HydrophobicContact SD-CD2 3.99Å; M4-Y170 HydrophobicContact SD-CE2 3.69Å
5R98.4Very high96.6Very high47 Ų4743.1 Ų43.118%0.17726%0.263CS..EExtended strand (participates in β ladder)trans-130.1133.7-175.7-56.9-61.9-177.974.66.9110.6F7 G25 Y26 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.48Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 4.04Å; R5-G25 CarbonylContact O-C 3.54Å; R5-G25 WeakPolarHBondContact O-CA 3.28Å; R5-Y26 PolarHBondContact N-O 3.2Å; R5-Y26 PolarHBondContact O-N 3.22Å; R5-D101 IonicContact CZ-OD1 3.66Å; R5-D101 IonicContact NE-OD1 3.73Å; R5-D101 PolarHBondContact NE-OD1 2.9Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 2.78Å; R5-D101 PolarHBondContact NH2-OD1 3.19Å; R5-D101 IonicContact NH2-OD2 2.69Å; R5-D101 PolarHBondContact NH2-OD2 3.15Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.41Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.29Å; R5-Y112 PolarHBondContact NH2-OH 2.88Å
6Y98.6Very high96.3Very high25 Ų2553.7 Ų53.710%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-113138.2170.3-65.4-88.9000109.3M4 V24 F32 V33 M97 F98M4-Y6 HydrophobicContact CE-CE2 4.13Å; M4-Y6 HydrophobicContact CG-CE2 3.91Å; M4-Y6 HydrophobicContact SD-CE2 3.94Å; Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 WeakPolarHBondContact CA-O 3.26Å; Y6-F32 HydrophobicContact CE1-CE1 4.43Å; Y6-F32 AromaticContact CE1-CZ 3.8Å; Y6-F32 HydrophobicContact CE1-CZ 3.8Å; Y6-F32 AromaticContact CZ-CZ 3.73Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.46Å; Y6-V33 HydrophobicContact CE1-CG2 4Å; Y6-M97 WeakPolarHBondContact O-CA 3.38Å; Y6-F98 VanDerWaalsContact CB-CE1 3.42Å; Y6-F98 HydrophobicContact CD2-CD2 4.39Å; Y6-F98 HydrophobicContact CD2-CE1 4.48Å; Y6-F98 AromaticContact CD2-CE2 3.67Å; Y6-F98 HydrophobicContact CD2-CE2 3.67Å; Y6-F98 AromaticContact CD2-CZ 3.73Å; Y6-F98 HydrophobicContact CD2-CZ 3.73Å; Y6-F98 HydrophobicContact CE2-CE2 4.42Å; Y6-F98 HydrophobicContact CG-CE1 4.18Å; Y6-F98 HydrophobicContact CG-CE2 4.17Å; Y6-F98 AromaticContact CG-CZ 3.75Å; Y6-F98 HydrophobicContact CG-CZ 3.75Å; Y6-F98 PolarHBondContact N-O 3.12Å; Y6-F98 PolarHBondContact O-N 3.23Å
7F98.8Very high96Very high86 Ų8654.2 Ų54.238%0.37732%0.317SS..EExtended strand (participates in β ladder)trans-122.9136.3176.1-56.5-98.7000108.2R5 A23 V24 Y26 M96 M97R5-F7 HydrophobicContact CB-CD2 4.48Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 4.04Å; F7-A23 CarbonylContact O-C 3.59Å; F7-A23 VanDerWaalsContact O-CA 3.24Å; F7-A23 WeakPolarHBondContact O-CA 3.27Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 3.34Å; F7-V24 PolarHBondContact O-N 2.93Å; F7-Y26 HydrophobicContact CD2-CD2 4.16Å; F7-Y26 HydrophobicContact CE2-CD2 4.18Å; F7-M96 CarbonylContact C-O 3.59Å; F7-M96 WeakPolarHBondContact CA-O 3.31Å; F7-M97 HydrophobicContact CD1-CB 3.85Å; F7-M97 HydrophobicContact CD1-CG 3.64Å; F7-M97 HydrophobicContact CE1-CB 3.98Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.9Å
8S98.6Very high95.9Very high4 Ų456.4 Ų56.43%0.02832%0.324CS..EExtended strand (participates in β ladder)trans-128.3151.4168.162.20000111.6F21 I22 H69 Q95 M96S8-F21 VanDerWaalsContact CB-CZ 3.49Å; S8-I22 CarbonylContact C-O 3.58Å; S8-I22 VanDerWaalsContact CA-O 3.24Å; S8-I22 WeakPolarHBondContact CA-O 3.27Å; S8-H69 PolarHBondContact OG-NE2 3.15Å; S8-Q95 VanDerWaalsContact O-CA 3.32Å; S8-Q95 WeakPolarHBondContact O-CA 3.46Å; S8-M96 PolarHBondContact N-O 3.43Å; S8-M96 PolarHBondContact O-N 3.5Å
9T98.8Very high96Very high44 Ų4454.6 Ų54.627%0.2732%0.315SS..EExtended strand (participates in β ladder)trans-140.9124.4177.8-60.30000109.1V11 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 3.99Å; T9-I22 PolarHBondContact N-O 3.46Å; T9-I22 PolarHBondContact O-N 3.47Å; T9-T93 HydrophobicContact CG2-CG2 3.84Å; T9-L94 WeakPolarHBondContact CA-O 3.37Å; T9-Q95 HydrophobicContact CG2-CG 4.06Å
10S98.6Very high96.1Very high1 Ų156.3 Ų56.31%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-118.3115.9-178.7-64.40000109.1R20 F21 D73 T93 L94S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.3Å; S10-R20 WeakPolarHBondContact CA-O 3.44Å; S10-F21 WeakPolarHBondContact OG-CD2 3.45Å; S10-D73 WeakPolarHBondContact OG-CB 3.29Å; S10-D73 PolarHBondContact OG-OD2 2.88Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; S10-L94 PolarHBondContact N-O 2.83Å; S10-L94 PolarHBondContact O-N 3.44Å
11V98.4Very high96.2Very high45 Ų4553.7 Ų53.727%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-114.1113.8-177.1-173.30000109.1T9 P19 R20 H92 T93T9-V11 HydrophobicContact CG2-CG2 3.99Å; V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.29Å; V11-P19 WeakPolarHBondContact O-CB 3.44Å; V11-R20 PolarHBondContact N-O 3.44Å; V11-R20 PolarHBondContact O-N 3.33Å; V11-H92 CarbonylContact C-O 3.53Å; V11-H92 WeakPolarHBondContact CA-O 3.29Å; V11-T93 HydrophobicContact CG2-CG2 4.25Å
12S97.5Very high96.5Very high12 Ų1250.6 Ų50.68%0.08428%0.275CS..  trans-66.7145.2174.973.80000110.7S91 H92S12-S91 PolarHBondContact O-OG 3.33Å; S12-H92 PolarHBondContact N-O 2.72Å; S12-H92 PolarHBondContact OG-N 3.28Å; S12-H92 PolarHBondContact OG-O 2.91Å
13R95.8Very high96.7Very high68 Ų6849.4 Ų49.426%0.25727%0.272SS..  trans-13472.5-176.4-59.8-178.7-73.2-166.1-9110.7G15 R16 E18 D38R13-G15 PolarHBondContact O-N 3.43Å; R13-R16 HydrophobicContact CB-CB 4.08Å; R13-R16 PolarHBondContact O-N 3.24Å; R13-E18 PolarHBondContact NE-O 3.44Å; R13-E18 PolarHBondContact NH2-O 3.12Å; R13-D38 IonicContact CZ-OD1 3.57Å; R13-D38 IonicContact CZ-OD2 2.98Å; R13-D38 IonicContact NH1-OD1 3.63Å; R13-D38 PolarHBondContact NH1-OD1 2.88Å; R13-D38 IonicContact NH1-OD2 2.7Å; R13-D38 PolarHBondContact NH1-OD2 2.87Å; R13-D38 IonicContact NH2-OD1 3.53Å; R13-D38 PolarHBondContact NH2-OD1 3.26Å; R13-D38 IonicContact NH2-OD2 3.35Å
14P92.4Very high96.8Very high52 Ų5249.6 Ų49.634%0.33827%0.272SS..THydrogen-bonded Turntrans-50127.9-176.6-27.334.7000112.4R16 E88 G90P14-R16 PolarHBondContact O-N 3.02Å; P14-E88 VanDerWaalsContact CB-O 3.27Å; P14-E88 WeakPolarHBondContact CB-O 3.4Å; P14-E88 WeakPolarHBondContact CG-O 3.4Å; P14-G90 WeakPolarHBondContact CG-O 3.47Å
15G90.9Very high96.8Very high91 Ų9149.4 Ų49.494%0.93827%0.271SS*.THydrogen-bonded Turntrans71.74.4-178.600000115.9R13R13-G15 PolarHBondContact O-N 3.43Å
16R92.7Very high96.8Very high213 Ų21350.5 Ų50.580%0.80428%0.276SS*.SBendtrans-125.825.5-179.1-59-176.2-179.6-174.80.3113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.08Å; R13-R16 PolarHBondContact O-N 3.24Å; P14-R16 PolarHBondContact O-N 3.02Å
17G91.5Very high96.6Very high62 Ų6249.3 Ų49.364%0.63927%0.271SS*.SBendtrans95.3-158.7178.200000113.6
18E94.3Very high96.4Very high94 Ų9446.7 Ų46.744%0.43926%0.261SS..SBendtrans-71.4156.2-178.1-67.7-67.4-178.700112.2R13 R20 R74 R78R13-E18 PolarHBondContact NE-O 3.44Å; R13-E18 PolarHBondContact NH2-O 3.12Å; E18-R20 PolarHBondContact O-N 3.47Å; E18-R74 VanDerWaalsContact CD-NH1 3.31Å; E18-R74 IonicContact OE1-CZ 3.8Å; E18-R74 IonicContact OE1-NH1 2.69Å; E18-R74 PolarHBondContact OE1-NH1 2.88Å; E18-R74 WeakPolarHBondContact OE2-CD 3.42Å; E18-R74 IonicContact OE2-NE 3.36Å; E18-R74 IonicContact OE2-NH1 3.05Å; E18-R78 IonicContact OE2-NH2 3.19Å
19P96.9Very high96.1Very high23 Ų2349.6 Ų49.615%0.14928%0.276CS..PPolyproline II helixtrans-51.7136.6173-2635000111.7V11 F21 R74 L77V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.29Å; V11-P19 WeakPolarHBondContact O-CB 3.44Å; P19-F21 PolarHBondContact O-N 3.49Å; P19-R74 HydrophobicContact CG-CG 4.19Å; P19-L77 HydrophobicContact CB-CD1 3.74Å; P19-L77 HydrophobicContact CG-CD1 3.82Å
20R98.1Very high95.8Very high88 Ų8848.6 Ų48.633%0.33227%0.27SS..EExtended strand (participates in β ladder)trans-73.4129171.1-169.5174.7177.6-177.6-2.4108.1S10 V11 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.59Å; S10-R20 VanDerWaalsContact CA-O 3.3Å; S10-R20 WeakPolarHBondContact CA-O 3.44Å; V11-R20 PolarHBondContact N-O 3.44Å; V11-R20 PolarHBondContact O-N 3.33Å; E18-R20 PolarHBondContact O-N 3.47Å; R20-I22 HydrophobicContact CG-CG1 4.35Å; R20-D36 IonicContact CZ-OD1 3.12Å; R20-D36 IonicContact CZ-OD2 3.97Å; R20-D36 IonicContact NE-OD1 3.68Å; R20-D36 PolarHBondContact NE-OD1 2.93Å; R20-D36 VanDerWaalsContact NE-OD1 3.12Å; R20-D36 IonicContact NE-OD2 2.7Å; R20-D36 IonicContact NH2-OD1 2.81Å; R20-D36 PolarHBondContact NH2-OD1 2.88Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 3.39Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.27Å; R20-D38 IonicContact NE-OD2 3.76Å
21F98.6Very high95.6Very high2 Ų250.9 Ų50.91%0.00928%0.281CS..EExtended strand (participates in β ladder)trans-115.5125177.2179.5-82.9000109.7S8 S10 P19 A23 F35 S37 V66 H69 S70 D73S8-F21 VanDerWaalsContact CB-CZ 3.49Å; S10-F21 WeakPolarHBondContact OG-CD2 3.45Å; P19-F21 PolarHBondContact O-N 3.49Å; F21-A23 HydrophobicContact CE1-CB 3.58Å; F21-A23 HydrophobicContact CZ-CB 3.84Å; F21-F35 AromaticContact CD1-CD1 3.64Å; F21-F35 HydrophobicContact CD1-CD1 3.64Å; F21-F35 AromaticContact CD1-CE1 3.78Å; F21-F35 HydrophobicContact CD1-CE1 3.78Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.4Å; F21-S37 PolarHBondContact N-OG 3.3Å; F21-S37 PolarHBondContact O-N 3.38Å; F21-S37 PolarHBondContact O-OG 3.43Å; F21-V66 HydrophobicContact CE1-CG2 3.61Å; F21-V66 HydrophobicContact CZ-CG2 4.28Å; F21-H69 AromaticContact CE2-CD2 3.42Å; F21-H69 VanDerWaalsContact CE2-CD2 3.42Å; F21-H69 WeakPolarHBondContact CE2-CD2 3.34Å; F21-H69 AromaticContact CE2-NE2 3.89Å; F21-H69 AromaticContact CZ-CD2 3.4Å; F21-H69 VanDerWaalsContact CZ-CD2 3.4Å; F21-H69 WeakPolarHBondContact CZ-CD2 3.23Å; F21-S70 VanDerWaalsContact CB-OG 3.29Å; F21-S70 WeakPolarHBondContact CB-OG 3.32Å; F21-S70 VanDerWaalsContact CG-CB 3.5Å; F21-S70 WeakPolarHBondContact CG-OG 3.35Å; F21-D73 HydrophobicContact CD2-CB 4.29Å; F21-D73 HydrophobicContact CE2-CB 4.36Å
22I98.7Very high95.5Very high42 Ų4248.8 Ų48.822%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-123.9132.6174-57.7173.9000107.7S8 T9 R20 V24 F35S8-I22 CarbonylContact C-O 3.58Å; S8-I22 VanDerWaalsContact CA-O 3.24Å; S8-I22 WeakPolarHBondContact CA-O 3.27Å; T9-I22 PolarHBondContact N-O 3.46Å; T9-I22 PolarHBondContact O-N 3.47Å; R20-I22 HydrophobicContact CG-CG1 4.35Å; I22-V24 HydrophobicContact CG2-CG1 4.48Å; I22-F35 WeakPolarHBondContact CA-O 3.26Å
23A98.7Very high95.5Very high13 Ų1348.3 Ų48.311%0.10726%0.264CS..EExtended strand (participates in β ladder)trans-127.514616900000111F7 F21 R34 F35 V66F7-A23 CarbonylContact O-C 3.59Å; F7-A23 VanDerWaalsContact O-CA 3.24Å; F7-A23 WeakPolarHBondContact O-CA 3.27Å; F21-A23 HydrophobicContact CE1-CB 3.58Å; F21-A23 HydrophobicContact CZ-CB 3.84Å; A23-R34 CarbonylContact O-C 3.57Å; A23-R34 WeakPolarHBondContact O-CA 3.22Å; A23-F35 HydrophobicContact CB-CB 4.41Å; A23-F35 PolarHBondContact N-O 3.47Å; A23-F35 PolarHBondContact O-N 3.03Å; A23-V66 HydrophobicContact CB-CG2 3.81Å
24V98.8Very high95.6Very high25 Ų2548.2 Ų48.215%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-139.2143.4177.5-63.50000109.7Y6 F7 I22 Y26 V33 R34Y6-V24 CarbonylContact C-O 3.57Å; Y6-V24 WeakPolarHBondContact CA-O 3.26Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.3Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 3.34Å; F7-V24 PolarHBondContact O-N 2.93Å; I22-V24 HydrophobicContact CG2-CG1 4.48Å; V24-Y26 HydrophobicContact CB-CE2 4.05Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; V24-V33 WeakPolarHBondContact CA-O 3.27Å; V24-R34 HydrophobicContact CG1-CB 4.41Å; V24-R34 HydrophobicContact CG1-CG 4.16Å
25G98.3Very high95.9Very high0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-120.3139.3176.100000110.8R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.54Å; R5-G25 WeakPolarHBondContact O-CA 3.28Å; G25-Q31 WeakPolarHBondContact O-CA 3.24Å; G25-Q31 WeakPolarHBondContact O-CG 3.49Å; G25-F32 WeakPolarHBondContact O-CD1 3.48Å; G25-F32 PolarHBondContact O-N 2.65Å; G25-V33 PolarHBondContact N-O 3.38Å; G25-V33 PolarHBondContact O-N 3.31Å
26Y97Very high96.3Very high70 Ų7042.7 Ų42.728%0.27521%0.21SC..EExtended strand (participates in β ladder)trans-125.7140.3178.6-74-101.6000110.5M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.49Å; M4-Y26 WeakPolarHBondContact CA-O 3.46Å; R5-Y26 PolarHBondContact N-O 3.2Å; R5-Y26 PolarHBondContact O-N 3.22Å; F7-Y26 HydrophobicContact CD2-CD2 4.16Å; F7-Y26 HydrophobicContact CE2-CD2 4.18Å; V24-Y26 HydrophobicContact CB-CE2 4.05Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; Y26-T30 WeakPolarHBondContact CA-O 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.97Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.41Å; Y26-Q31 HydrophobicContact CE1-CB 3.47Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.47Å; Y26-Q31 HydrophobicContact CE1-CG 4.17Å; Y26-Q31 HydrophobicContact CE2-CB 4.16Å; Y26-Q31 HydrophobicContact CE2-CG 3.91Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V95.9Very high96.5Very high0 Ų033.4 Ų33.40%018%0.178CC..EExtended strand (participates in β ladder)trans-108.6119157.2176.10000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.43Å; S3-V27 WeakPolarHBondContact O-CA 3.32Å; M4-V27 HydrophobicContact CG-CG2 4.4Å; V27-D29 PolarHBondContact O-N 2.95Å; V27-T30 PolarHBondContact N-O 3.39Å; V27-T30 PolarHBondContact O-N 3.34Å; V27-F32 HydrophobicContact CG2-CD1 3.96Å; V27-F32 HydrophobicContact CG2-CE1 3.96Å; V27-W50 HydrophobicContact CG2-CH2 4.07Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.32Å; V27-Y170 HydrophobicContact CG2-CD2 4.04Å; V27-L171 HydrophobicContact CG1-CD2 4.35Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 4.07Å; V27-L178 HydrophobicContact CG1-CD2 4.03Å
28D93.7Very high96.8Very high31 Ų3134.1 Ų34.117%0.16617%0.167CC..THydrogen-bonded Turntrans48.4-122.4-166.3-55.9-38.5000110.7H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.44Å; H2-D28 IonicContact CE1-OD2 3.41Å; H2-D28 IonicContact CG-OD2 2.64Å; H2-D28 IonicContact ND1-OD1 2.68Å; H2-D28 IonicContact ND1-OD2 3.45Å; H2-D28 PolarHBondContact ND1-OD2 2.95Å; S3-D28 PolarHBondContact N-OD1 2.89Å; S3-D28 PolarHBondContact O-N 3.36Å; S3-D28 PolarHBondContact OG-OD1 2.87Å
29D92.7Very high96.9Very high65 Ų6531.1 Ų31.135%0.34816%0.158SC..THydrogen-bonded Turntrans-94.67.7-179.8-57.7-54.1000113.3V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 2.95Å; D29-Y208 HydrophobicContact CB-CE2 4.19Å; D29-P209 WeakPolarHBondContact OD2-CB 3.45Å; D29-A210 HydrophobicContact CB-CB 4.16Å; D29-A210 WeakPolarHBondContact OD2-CB 3.43Å; D29-A210 PolarHBondContact OD2-N 3.45Å; D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.64Å
30T92.1Very high96.9Very high23 Ų2335.5 Ų35.514%0.14120%0.196CC..EExtended strand (participates in β ladder)trans-104.2113.8-176.8-60.80000111.4Y26 V27 F32 A48 Y208Y26-T30 WeakPolarHBondContact CA-O 3.47Å; V27-T30 PolarHBondContact N-O 3.39Å; V27-T30 PolarHBondContact O-N 3.34Å; T30-F32 PolarHBondContact O-N 2.95Å; T30-A48 HydrophobicContact CG2-CB 4.38Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.13Å; T30-Y208 PolarHBondContact OG1-OH 2.99Å; T30-Y208 VanDerWaalsContact OG1-OH 3.06Å
31Q95.1Very high96.7Very high50 Ų5034 Ų3423%0.23420%0.199CC..EExtended strand (participates in β ladder)trans-67.6128.8172-166.4-179.50.600110G25 Y26 V33 R47G25-Q31 WeakPolarHBondContact O-CA 3.24Å; G25-Q31 WeakPolarHBondContact O-CG 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 3.97Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.41Å; Y26-Q31 HydrophobicContact CE1-CB 3.47Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.47Å; Y26-Q31 HydrophobicContact CE1-CG 4.17Å; Y26-Q31 HydrophobicContact CE2-CB 4.16Å; Y26-Q31 HydrophobicContact CE2-CG 3.91Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 3.34Å; Q31-R47 HydrophobicContact CB-CB 4.45Å; Q31-R47 HydrophobicContact CG-CB 4.04Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; Q31-R47 CarbonylContact O-C 3.6Å
32F95.4Very high96.5Very high0 Ų038.2 Ų38.20%022%0.219CC..EExtended strand (participates in β ladder)trans-119.6-24.1-179.974.6-82000113.9M4 Y6 G25 V27 T30 P46 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.49Å; M4-F32 HydrophobicContact SD-CZ 4.36Å; Y6-F32 HydrophobicContact CE1-CE1 4.43Å; Y6-F32 AromaticContact CE1-CZ 3.8Å; Y6-F32 HydrophobicContact CE1-CZ 3.8Å; Y6-F32 AromaticContact CZ-CZ 3.73Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.46Å; G25-F32 WeakPolarHBondContact O-CD1 3.48Å; G25-F32 PolarHBondContact O-N 2.65Å; V27-F32 HydrophobicContact CG2-CD1 3.96Å; V27-F32 HydrophobicContact CG2-CE1 3.96Å; T30-F32 PolarHBondContact O-N 2.95Å; F32-P46 CarbonylContact O-C 3.57Å; F32-R47 PolarHBondContact O-N 2.96Å; F32-A48 HydrophobicContact CB-CB 4.27Å; F32-W50 HydrophobicContact CB-CH2 3.3Å; F32-W50 HydrophobicContact CB-CZ2 3.19Å; F32-W50 HydrophobicContact CB-CZ3 4.21Å; F32-W50 HydrophobicContact CD1-CH2 4.19Å; F32-W50 HydrophobicContact CD1-CZ2 4.47Å; F32-W50 AromaticContact CD2-CH2 3.69Å; F32-W50 HydrophobicContact CD2-CH2 3.69Å; F32-W50 HydrophobicContact CD2-CZ2 4.47Å; F32-W50 HydrophobicContact CD2-CZ3 4.21Å; F32-W50 AromaticContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CH2 3.48Å; F32-W50 VanDerWaalsContact CG-CH2 3.48Å; F32-W50 AromaticContact CG-CZ2 3.86Å; F32-W50 HydrophobicContact CG-CZ2 3.86Å; F32-W50 HydrophobicContact CG-CZ3 4.4Å; F32-I51 HydrophobicContact CB-CG2 4.49Å; F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.08Å; F32-I51 HydrophobicContact CE2-CD1 4.46Å; F32-I51 WeakPolarHBondContact O-CG2 3.33Å; F32-Y170 AromaticContact CE2-CE2 3.98Å; F32-Y170 HydrophobicContact CE2-CE2 3.98Å; F32-Y170 HydrophobicContact CZ-CE2 4.12Å
33V97.8Very high96.5Very high2 Ų241.2 Ų41.21%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-137.3154.1176.1-72.20000112.8Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4Å; V24-V33 WeakPolarHBondContact CA-O 3.27Å; G25-V33 PolarHBondContact N-O 3.38Å; G25-V33 PolarHBondContact O-N 3.31Å; Q31-V33 PolarHBondContact NE2-O 3.34Å; V33-M44 HydrophobicContact CB-CG 4.08Å; V33-M44 HydrophobicContact CB-SD 3.73Å; V33-M44 HydrophobicContact CG1-CG 4.13Å; V33-M44 HydrophobicContact CG1-SD 4.43Å; V33-M44 HydrophobicContact CG2-SD 4.16Å; V33-E45 WeakPolarHBondContact CA-O 3.32Å; V33-I51 HydrophobicContact CG1-CG1 4.45Å; V33-W59 HydrophobicContact CG1-CH2 4.17Å; V33-W59 HydrophobicContact CG1-CZ3 3.95Å
34R98.4Very high96.5Very high66 Ų6641.3 Ų41.325%0.24923%0.226CC..EExtended strand (participates in β ladder)trans-145.8143.8172.5178.9172.8170.7100.15.8111.4A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.57Å; A23-R34 WeakPolarHBondContact O-CA 3.22Å; V24-R34 HydrophobicContact CG1-CB 4.41Å; V24-R34 HydrophobicContact CG1-CG 4.16Å; R34-D36 IonicContact NH2-OD2 3.68Å; R34-D36 PolarHBondContact NH2-OD2 3.48Å; R34-M44 VanDerWaalsContact C-SD 3.54Å; R34-E45 PolarHBondContact N-O 3Å; R34-E45 PolarHBondContact O-N 2.94Å; R34-R47 HydrophobicContact CB-CG 3.74Å
35F98.8Very high96.4Very high5 Ų543 Ų432%0.02223%0.233CC..EExtended strand (participates in β ladder)trans-128.4143.6166178.8-86.7000110F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.64Å; F21-F35 HydrophobicContact CD1-CD1 3.64Å; F21-F35 AromaticContact CD1-CE1 3.78Å; F21-F35 HydrophobicContact CD1-CE1 3.78Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.4Å; I22-F35 WeakPolarHBondContact CA-O 3.26Å; A23-F35 HydrophobicContact CB-CB 4.41Å; A23-F35 PolarHBondContact N-O 3.47Å; A23-F35 PolarHBondContact O-N 3.03Å; F35-Q42 HydrophobicContact CE2-CB 4.48Å; F35-Q42 WeakPolarHBondContact CE2-O 3.48Å; F35-Q42 HydrophobicContact CZ-CB 4.46Å; F35-R43 WeakPolarHBondContact CD2-O 3.36Å; F35-M44 HydrophobicContact CB-CE 4.3Å; F35-M44 HydrophobicContact CB-SD 3.96Å; F35-V66 HydrophobicContact CB-CG1 4.13Å; F35-V66 HydrophobicContact CB-CG2 3.8Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.96Å; 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 4.42Å; F35-V66 HydrophobicContact CG-CG1 3.69Å; F35-V66 HydrophobicContact CG-CG2 3.78Å; F35-V66 HydrophobicContact CZ-CG1 4.4Å; F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4.16Å
36D98.5Very high96.4Very high22 Ų2245 Ų4512%0.11825%0.245CC..EExtended strand (participates in β ladder)trans-139121.3173.1-162.6-32.2000109.2R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.12Å; R20-D36 IonicContact CZ-OD2 3.97Å; R20-D36 IonicContact NE-OD1 3.68Å; R20-D36 PolarHBondContact NE-OD1 2.93Å; R20-D36 VanDerWaalsContact NE-OD1 3.12Å; R20-D36 IonicContact NE-OD2 2.7Å; R20-D36 IonicContact NH2-OD1 2.81Å; R20-D36 PolarHBondContact NH2-OD1 2.88Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 3.39Å; R34-D36 IonicContact NH2-OD2 3.68Å; R34-D36 PolarHBondContact NH2-OD2 3.48Å; D36-D38 PolarHBondContact O-N 2.99Å; D36-D38 PolarHBondContact OD1-N 3.38Å; D36-A39 HydrophobicContact CB-CB 4.18Å; D36-A39 WeakPolarHBondContact O-CB 3.08Å; D36-A39 PolarHBondContact O-N 3.47Å; D36-A39 VanDerWaalsContact O-N 3.1Å
37S98Very high96.3Very high18 Ų1846.5 Ų46.513%0.12625%0.25CS..THydrogen-bonded Turntrans-64.4-23.2-178.664.70000113.3F21 Q42F21-S37 PolarHBondContact N-OG 3.3Å; F21-S37 PolarHBondContact O-N 3.38Å; F21-S37 PolarHBondContact O-OG 3.43Å; S37-Q42 PolarHBondContact O-NE2 2.93Å
38D97.1Very high96.1Very high78 Ų7846.7 Ų46.742%0.41725%0.252SS..THydrogen-bonded Turntrans-87.4-8179-70.31.2000112.2R13 R20 D36R13-D38 IonicContact CZ-OD1 3.57Å; R13-D38 IonicContact CZ-OD2 2.98Å; R13-D38 IonicContact NH1-OD1 3.63Å; R13-D38 PolarHBondContact NH1-OD1 2.88Å; R13-D38 IonicContact NH1-OD2 2.7Å; R13-D38 PolarHBondContact NH1-OD2 2.87Å; R13-D38 IonicContact NH2-OD1 3.53Å; R13-D38 PolarHBondContact NH2-OD1 3.26Å; R13-D38 IonicContact NH2-OD2 3.35Å; R20-D38 VanDerWaalsContact CD-OD2 3.3Å; R20-D38 WeakPolarHBondContact CD-OD2 3.27Å; R20-D38 IonicContact NE-OD2 3.76Å; D36-D38 PolarHBondContact O-N 2.99Å; D36-D38 PolarHBondContact OD1-N 3.38Å
39A97Very high95.9Very high30 Ų3049.9 Ų49.925%0.24828%0.275CS..SBendtrans-68.5144.9175.100000111D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.18Å; D36-A39 WeakPolarHBondContact O-CB 3.08Å; D36-A39 PolarHBondContact O-N 3.47Å; D36-A39 VanDerWaalsContact O-N 3.1Å; A39-S41 VanDerWaalsContact C-N 3.29Å; A39-S41 PolarHBondContact O-N 2.98Å; A39-Q42 WeakPolarHBondContact O-CG 3.49Å; A39-Q42 PolarHBondContact O-N 3.48Å
40A96.3Very high95.7Very high115 Ų11547.1 Ų47.195%0.9526%0.259SS*.SBendtrans-63-34-17900000113.3
41S93.5Very high95.7Very high57 Ų5746 Ų4640%0.39925%0.252SS..SBendtrans-70.3-37.4177.658.30000111.7A39 R43 E45A39-S41 VanDerWaalsContact C-N 3.29Å; A39-S41 PolarHBondContact O-N 2.98Å; S41-R43 WeakPolarHBondContact O-CG 3.39Å; S41-R43 PolarHBondContact O-N 2.91Å; S41-E45 PolarHBondContact OG-OE1 3.48Å; S41-E45 VanDerWaalsContact OG-OE1 3.05Å
42Q95.9Very high95.6Very high91 Ų9149.4 Ų49.443%0.42527%0.268SS..  trans4349.1-166.5-57.8-173.5-22.800111.4F35 S37 A39 K67F35-Q42 HydrophobicContact CE2-CB 4.48Å; F35-Q42 WeakPolarHBondContact CE2-O 3.48Å; F35-Q42 HydrophobicContact CZ-CB 4.46Å; S37-Q42 PolarHBondContact O-NE2 2.93Å; A39-Q42 WeakPolarHBondContact O-CG 3.49Å; A39-Q42 PolarHBondContact O-N 3.48Å; Q42-K67 WeakPolarHBondContact O-CE 3.48Å; Q42-K67 PolarHBondContact O-NZ 2.8Å
43R97.8Very high95.3Very high104 Ų10456 Ų5639%0.39230%0.299SS..SBendtrans-120.8157.4176.4-66.3-175.571.4104.22.3110.1F35 S41 E45 D60 T63F35-R43 WeakPolarHBondContact CD2-O 3.36Å; S41-R43 WeakPolarHBondContact O-CG 3.39Å; S41-R43 PolarHBondContact O-N 2.91Å; R43-E45 PolarHBondContact O-N 3.07Å; R43-D60 IonicContact CZ-OD1 2.74Å; R43-D60 IonicContact NH1-OD1 2.72Å; R43-D60 PolarHBondContact NH1-OD1 2.98Å; R43-D60 IonicContact NH2-OD1 2.66Å; R43-D60 PolarHBondContact NH2-OD1 2.96Å; R43-T63 HydrophobicContact CB-CG2 4.4Å; R43-T63 HydrophobicContact CG-CG2 4.28Å
44M98.3Very high95Very high15 Ų1557.5 Ų57.57%0.07431%0.306CS..  trans-66.7130.3165.4-171.164.980.900108.1V33 R34 F35 W59 E62 T63 V66V33-M44 HydrophobicContact CB-CG 4.08Å; V33-M44 HydrophobicContact CB-SD 3.73Å; V33-M44 HydrophobicContact CG1-CG 4.13Å; V33-M44 HydrophobicContact CG1-SD 4.43Å; V33-M44 HydrophobicContact CG2-SD 4.16Å; R34-M44 VanDerWaalsContact C-SD 3.54Å; F35-M44 HydrophobicContact CB-CE 4.3Å; F35-M44 HydrophobicContact CB-SD 3.96Å; M44-W59 HydrophobicContact CB-CE3 4.29Å; M44-W59 HydrophobicContact CG-CE3 4.26Å; M44-W59 HydrophobicContact CG-CZ3 4.04Å; M44-E62 HydrophobicContact CB-CB 4.22Å; M44-E62 HydrophobicContact CG-CB 4.18Å; M44-T63 PolarHBondContact N-OG1 3.4Å; M44-V66 HydrophobicContact CE-CB 3.77Å; M44-V66 HydrophobicContact CE-CG1 3.96Å; M44-V66 HydrophobicContact CE-CG2 3.98Å
45E97.8Very high94.9Very high62 Ų6256 Ų5629%0.2931%0.312SS..EExtended strand (participates in β ladder)trans-119.3142.6-175.6-62.8178.8172.600111.2V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.32Å; R34-E45 PolarHBondContact N-O 3Å; R34-E45 PolarHBondContact O-N 2.94Å; S41-E45 PolarHBondContact OG-OE1 3.48Å; S41-E45 VanDerWaalsContact OG-OE1 3.05Å; R43-E45 PolarHBondContact O-N 3.07Å; E45-R47 IonicContact OE2-CZ 3.41Å; E45-R47 IonicContact OE2-NH1 3.41Å; E45-R47 PolarHBondContact OE2-NH1 2.7Å; E45-R47 IonicContact OE2-NH2 3.3Å; E45-R47 PolarHBondContact OE2-NH2 3.29Å
46P97Very high94.8Very high41 Ų4160.4 Ų60.427%0.26634%0.34SS..EExtended strand (participates in β ladder)trans-66.9146.8174.228.8-34.9000111.2F32 I51 E52 W59F32-P46 CarbonylContact O-C 3.57Å; P46-I51 HydrophobicContact CB-CG2 3.58Å; P46-E52 HydrophobicContact CB-CG 3.65Å; P46-E52 HydrophobicContact CG-CG 3.86Å; P46-W59 HydrophobicContact CB-CH2 3.61Å; P46-W59 HydrophobicContact CB-CZ2 3.92Å; P46-W59 HydrophobicContact CG-CH2 4.2Å; P46-W59 HydrophobicContact CG-CZ2 4.31Å
47R95.3Very high94.7Very high101 Ų10167.2 Ų67.238%0.38137%0.372SS..  trans-129.61174-66.6-62.7-178.4-95.22.6113.6Q31 F32 R34 E45Q31-R47 HydrophobicContact CB-CB 4.45Å; Q31-R47 HydrophobicContact CG-CB 4.04Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; Q31-R47 CarbonylContact O-C 3.6Å; F32-R47 PolarHBondContact O-N 2.96Å; R34-R47 HydrophobicContact CB-CG 3.74Å; E45-R47 IonicContact OE2-CZ 3.41Å; E45-R47 IonicContact OE2-NH1 3.41Å; E45-R47 PolarHBondContact OE2-NH1 2.7Å; E45-R47 IonicContact OE2-NH2 3.3Å; E45-R47 PolarHBondContact OE2-NH2 3.29Å
48A90.9Very high94.6Very high4 Ų467.4 Ų67.43%0.03337%0.37CS..SBendtrans-135.7143.2170.700000110.3T30 F32 W50 I51T30-A48 HydrophobicContact CG2-CB 4.38Å; F32-A48 HydrophobicContact CB-CB 4.27Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.09Å; A48-W50 HydrophobicContact CB-CZ2 4.35Å; A48-W50 PolarHBondContact O-N 2.68Å; A48-W50 VanDerWaalsContact O-N 3.08Å; A48-I51 WeakPolarHBondContact O-CG2 3.18Å; A48-I51 PolarHBondContact O-N 3.19Å
49P90.1Very high94.6Very high99 Ų9965.1 Ų65.164%0.64336%0.355SS*.THydrogen-bonded Turntrans-57.1-30.3-176.9-26.834.6000113.8E52P49-E52 WeakPolarHBondContact O-CB 3.09Å; P49-E52 PolarHBondContact O-N 3.17Å
50W88.4Confident94.7Very high6 Ų667.8 Ų67.82%0.02337%0.366CS..THydrogen-bonded Turntrans-70.2-32.4-176.955.9-106000114V27 F32 A48 E52 Y170 W174 L178V27-W50 HydrophobicContact CG2-CH2 4.07Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; F32-W50 HydrophobicContact CB-CH2 3.3Å; F32-W50 HydrophobicContact CB-CZ2 3.19Å; F32-W50 HydrophobicContact CB-CZ3 4.21Å; F32-W50 HydrophobicContact CD1-CH2 4.19Å; F32-W50 HydrophobicContact CD1-CZ2 4.47Å; F32-W50 AromaticContact CD2-CH2 3.69Å; F32-W50 HydrophobicContact CD2-CH2 3.69Å; F32-W50 HydrophobicContact CD2-CZ2 4.47Å; F32-W50 HydrophobicContact CD2-CZ3 4.21Å; F32-W50 AromaticContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CH2 3.48Å; F32-W50 VanDerWaalsContact CG-CH2 3.48Å; F32-W50 AromaticContact CG-CZ2 3.86Å; F32-W50 HydrophobicContact CG-CZ2 3.86Å; F32-W50 HydrophobicContact CG-CZ3 4.4Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.09Å; A48-W50 HydrophobicContact CB-CZ2 4.35Å; A48-W50 PolarHBondContact O-N 2.68Å; A48-W50 VanDerWaalsContact O-N 3.08Å; W50-E52 VanDerWaalsContact C-N 3.3Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.24Å; W50-Y170 AromaticContact CZ3-CD1 3.91Å; W50-Y170 HydrophobicContact CZ3-CD1 3.91Å; W50-Y170 HydrophobicContact CZ3-CE1 4.48Å; W50-Y170 AromaticContact CZ3-CG 3.94Å; W50-Y170 HydrophobicContact CZ3-CG 3.94Å; W50-W174 HydrophobicContact CB-CB 3.99Å; W50-W174 HydrophobicContact CB-CD2 3.25Å; W50-W174 HydrophobicContact CB-CE3 3.51Å; W50-W174 HydrophobicContact CB-CG 3.41Å; W50-W174 VanDerWaalsContact CB-CG 3.41Å; W50-W174 HydrophobicContact CB-CZ2 4.45Å; W50-W174 HydrophobicContact CB-CZ3 4.29Å; W50-W174 HydrophobicContact CD2-CB 4.36Å; W50-W174 AromaticContact CD2-CD1 3.9Å; W50-W174 HydrophobicContact CD2-CG 4.06Å; W50-W174 AromaticContact CE3-CD1 3.32Å; W50-W174 AromaticContact CE3-CG 3.95Å; W50-W174 HydrophobicContact CE3-CG 3.95Å; W50-W174 AromaticContact CE3-NE1 3.74Å; W50-W174 HydrophobicContact CG-CB 4.16Å; W50-W174 HydrophobicContact CG-CD2 4.25Å; W50-W174 AromaticContact CG-CG 3.91Å; W50-W174 HydrophobicContact CG-CG 3.91Å; W50-W174 WeakPolarHBondContact O-CZ2 3.47Å; W50-W174 PolarHBondContact O-NE1 3.31Å; W50-L178 HydrophobicContact CZ2-CD1 4.23Å; W50-L178 HydrophobicContact CZ2-CD2 3.9Å
51I92.8Very high94.7Very high0 Ų067.6 Ų67.60%035%0.345CS..G310 helixtrans-78.7-19.1179.9-16373.9000111.5F32 V33 P46 A48 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CB-CG2 4.49Å; F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.08Å; F32-I51 HydrophobicContact CE2-CD1 4.46Å; F32-I51 WeakPolarHBondContact O-CG2 3.33Å; V33-I51 HydrophobicContact CG1-CG1 4.45Å; P46-I51 HydrophobicContact CB-CG2 3.58Å; A48-I51 WeakPolarHBondContact O-CG2 3.18Å; A48-I51 PolarHBondContact O-N 3.19Å; I51-Q53 PolarHBondContact O-N 2.86Å; I51-E54 HydrophobicContact CD1-CG 3.64Å; I51-E54 HydrophobicContact CG1-CG 4.06Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.48Å; I51-E54 PolarHBondContact O-N 3.44Å; I51-Y58 HydrophobicContact CD1-CE1 4.18Å; I51-Y58 HydrophobicContact CG1-CE1 4.14Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.82Å; I51-W59 HydrophobicContact CG1-CZ2 4.1Å; I51-W59 HydrophobicContact CG2-CH2 3.98Å; I51-W59 HydrophobicContact CG2-CZ2 4.39Å; I51-W59 VanDerWaalsContact O-CZ2 3.29Å; I51-W59 WeakPolarHBondContact O-CZ2 3.42Å; I51-Y170 HydrophobicContact CD1-CD1 4.22Å; I51-Y170 HydrophobicContact CD1-CE1 3.67Å
52E91.8Very high94.9Very high122 Ų12266 Ų6657%0.5733%0.331SS*.G310 helixtrans-60.3-19.3-179.5-64.4-178.9-174.700113.4P46 P49 W50 E54P46-E52 HydrophobicContact CB-CG 3.65Å; P46-E52 HydrophobicContact CG-CG 3.86Å; P49-E52 WeakPolarHBondContact O-CB 3.09Å; P49-E52 PolarHBondContact O-N 3.17Å; W50-E52 VanDerWaalsContact C-N 3.3Å; E52-E54 VanDerWaalsContact C-N 3.28Å; E52-E54 PolarHBondContact O-N 3.07Å
53Q89.8Confident95Very high138 Ų13862 Ų6265%0.64531%0.313SS*.G310 helixtrans-79.6-10.5-179.8-52.8-165.620.500113.5I51 W174I51-Q53 PolarHBondContact O-N 2.86Å; Q53-W174 HydrophobicContact CB-CZ2 4.07Å; Q53-W174 HydrophobicContact CG-CH2 4.05Å; Q53-W174 HydrophobicContact CG-CZ2 4.02Å
54E92.7Very high95Very high33 Ų3359.1 Ų59.115%0.15432%0.315CS..SBendtrans-63.6140174.2-66.5-66168.800111.2I51 E52 Y58 W59 R169I51-E54 HydrophobicContact CD1-CG 3.64Å; I51-E54 HydrophobicContact CG1-CG 4.06Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.48Å; I51-E54 PolarHBondContact O-N 3.44Å; E52-E54 VanDerWaalsContact C-N 3.28Å; E52-E54 PolarHBondContact O-N 3.07Å; E54-Y58 HydrophobicContact CB-CD1 3.51Å; E54-Y58 HydrophobicContact CB-CE1 4.13Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 3.88Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.07Å; E54-Y58 HydrophobicContact CG-CE2 4.5Å; E54-Y58 HydrophobicContact CG-CG 4.03Å; E54-W59 HydrophobicContact CB-CZ2 4.41Å; E54-W59 PolarHBondContact O-NE1 2.83Å; E54-R169 IonicContact OE1-CZ 3.62Å; E54-R169 IonicContact OE1-NE 2.79Å; E54-R169 IonicContact OE1-NH2 3.72Å; E54-R169 PolarHBondContact OE1-NH2 2.91Å; E54-R169 IonicContact OE2-CZ 3.12Å; E54-R169 IonicContact OE2-NH2 3.57Å; E54-R169 PolarHBondContact OE2-NH2 3.37Å
55G94.7Very high95Very high36 Ų3662.9 Ų62.937%0.37133%0.331SS..  trans-70.2168.4-177.600000113.7E57 Y58 W59G55-E57 PolarHBondContact O-N 2.94Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 3.24Å; G55-Y58 VanDerWaalsContact O-N 3.15Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; G55-W59 PolarHBondContact O-N 2.89Å
56P96.4Very high95Very high96 Ų9660.4 Ų60.462%0.62332%0.32SS*.Hα-helixtrans-58.2-33.6-179.423.6-33.7000113.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.34Å; P56-Y58 PolarHBondContact O-N 3.36Å; P56-W59 PolarHBondContact O-N 2.92Å; P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 2.93Å
57E97.1Very high95Very high166 Ų16662.4 Ų62.478%0.77633%0.325SS*.Hα-helixtrans-59.6-42.6178.1-65.1-179.2176.300112.2G55 D60 E61G55-E57 PolarHBondContact O-N 2.94Å; E57-D60 PolarHBondContact O-N 3.05Å; E57-E61 VanDerWaalsContact O-CB 3.29Å; E57-E61 WeakPolarHBondContact O-CB 3.33Å; E57-E61 PolarHBondContact O-N 3.04Å
58Y95.4Very high95.2Very high22 Ų2260.3 Ų60.39%0.08633%0.329CS..Hα-helixtrans-60-48.5175.1172.3-91.6000110.9I51 E54 G55 P56 D60 E61 E62 Y170I51-Y58 HydrophobicContact CD1-CE1 4.18Å; I51-Y58 HydrophobicContact CG1-CE1 4.14Å; E54-Y58 HydrophobicContact CB-CD1 3.51Å; E54-Y58 HydrophobicContact CB-CE1 4.13Å; E54-Y58 HydrophobicContact CB-CG 3.74Å; E54-Y58 HydrophobicContact CG-CD1 3.88Å; E54-Y58 HydrophobicContact CG-CD2 4.35Å; E54-Y58 HydrophobicContact CG-CE1 4.07Å; E54-Y58 HydrophobicContact CG-CE2 4.5Å; E54-Y58 HydrophobicContact CG-CG 4.03Å; G55-Y58 WeakPolarHBondContact O-CB 3.48Å; G55-Y58 PolarHBondContact O-N 3.24Å; G55-Y58 VanDerWaalsContact O-N 3.15Å; P56-Y58 VanDerWaalsContact C-N 3.34Å; P56-Y58 PolarHBondContact O-N 3.36Å; Y58-D60 PolarHBondContact O-N 3.33Å; Y58-E61 PolarHBondContact O-N 2.9Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.27Å; Y58-E62 HydrophobicContact CE1-CG 3.99Å; Y58-E62 HydrophobicContact CE2-CG 3.93Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CB 3.5Å; Y58-E62 WeakPolarHBondContact O-CG 3.18Å; Y58-E62 PolarHBondContact O-N 2.8Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.29Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 3.49Å
59W97.9Very high95.5Very high30 Ų3062 Ų6211%0.11434%0.337CS..Hα-helixtrans-67.5-36.5-178.1-65.5112.5000113V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.17Å; V33-W59 HydrophobicContact CG1-CZ3 3.95Å; M44-W59 HydrophobicContact CB-CE3 4.29Å; M44-W59 HydrophobicContact CG-CE3 4.26Å; M44-W59 HydrophobicContact CG-CZ3 4.04Å; P46-W59 HydrophobicContact CB-CH2 3.61Å; P46-W59 HydrophobicContact CB-CZ2 3.92Å; P46-W59 HydrophobicContact CG-CH2 4.2Å; P46-W59 HydrophobicContact CG-CZ2 4.31Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.82Å; I51-W59 HydrophobicContact CG1-CZ2 4.1Å; I51-W59 HydrophobicContact CG2-CH2 3.98Å; I51-W59 HydrophobicContact CG2-CZ2 4.39Å; I51-W59 VanDerWaalsContact O-CZ2 3.29Å; I51-W59 WeakPolarHBondContact O-CZ2 3.42Å; E54-W59 HydrophobicContact CB-CZ2 4.41Å; E54-W59 PolarHBondContact O-NE1 2.83Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; G55-W59 PolarHBondContact O-N 2.89Å; P56-W59 PolarHBondContact O-N 2.92Å; W59-T63 WeakPolarHBondContact O-CB 3.4Å; W59-T63 PolarHBondContact O-N 3.22Å; W59-T63 PolarHBondContact O-OG1 3.25Å
60D98Very high95.8Very high86 Ų8658.3 Ų58.346%0.4631%0.313SS..Hα-helixtrans-66.9-44.2174.1-78.3-30.4000111.2R43 P56 E57 Y58 T63 G64R43-D60 IonicContact CZ-OD1 2.74Å; R43-D60 IonicContact NH1-OD1 2.72Å; R43-D60 PolarHBondContact NH1-OD1 2.98Å; R43-D60 IonicContact NH2-OD1 2.66Å; R43-D60 PolarHBondContact NH2-OD1 2.96Å; P56-D60 WeakPolarHBondContact O-CB 3.36Å; P56-D60 PolarHBondContact O-N 2.93Å; E57-D60 PolarHBondContact O-N 3.05Å; Y58-D60 PolarHBondContact O-N 3.33Å; D60-T63 PolarHBondContact O-N 3.27Å; D60-G64 PolarHBondContact O-N 2.72Å
61E97.3Very high96.2Very high110 Ų11062.2 Ų62.251%0.51433%0.331SS..Hα-helixtrans-62.6-51.2177.6-172.4-175.8166.100111.5E57 Y58 T63 G64 K65E57-E61 VanDerWaalsContact O-CB 3.29Å; E57-E61 WeakPolarHBondContact O-CB 3.33Å; E57-E61 PolarHBondContact O-N 3.04Å; Y58-E61 PolarHBondContact O-N 2.9Å; E61-T63 VanDerWaalsContact C-N 3.32Å; E61-T63 PolarHBondContact O-N 2.73Å; E61-G64 PolarHBondContact O-N 2.64Å; E61-G64 VanDerWaalsContact O-N 3.1Å; E61-K65 HydrophobicContact CG-CD 4.42Å; E61-K65 WeakPolarHBondContact O-CG 3.45Å; E61-K65 PolarHBondContact O-N 2.81Å; E61-K65 WeakPolarHBondContact OE1-CE 3.45Å; E61-K65 IonicContact OE1-NZ 3.94Å; E61-K65 PolarHBondContact OE1-NZ 2.94Å
62E97.4Very high96.5Very high24 Ų2465.3 Ų65.311%0.11235%0.35CS..Hα-helixtrans-65-36.4179.5-69-54.112100111.8M44 Y58 G64 K65 V66M44-E62 HydrophobicContact CB-CB 4.22Å; M44-E62 HydrophobicContact CG-CB 4.18Å; Y58-E62 HydrophobicContact CD1-CG 4.35Å; Y58-E62 HydrophobicContact CD2-CG 4.27Å; Y58-E62 HydrophobicContact CE1-CG 3.99Å; Y58-E62 HydrophobicContact CE2-CG 3.93Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CB 3.5Å; Y58-E62 WeakPolarHBondContact O-CG 3.18Å; Y58-E62 PolarHBondContact O-N 2.8Å; E62-G64 VanDerWaalsContact C-N 3.35Å; E62-K65 PolarHBondContact O-N 2.95Å; E62-K65 IonicContact OE1-NZ 3.48Å; E62-K65 PolarHBondContact OE1-NZ 3.24Å; E62-V66 WeakPolarHBondContact O-CB 3.43Å; E62-V66 WeakPolarHBondContact O-CG1 3.28Å; E62-V66 PolarHBondContact O-N 2.91Å
63T98.4Very high96.7Very high8 Ų859.5 Ų59.55%0.04932%0.323CS..Hα-helixtrans-63.7-40.7172-63.50000111.5R43 M44 W59 D60 E61 V66 K67R43-T63 HydrophobicContact CB-CG2 4.4Å; R43-T63 HydrophobicContact CG-CG2 4.28Å; M44-T63 PolarHBondContact N-OG1 3.4Å; W59-T63 WeakPolarHBondContact O-CB 3.4Å; W59-T63 PolarHBondContact O-N 3.22Å; W59-T63 PolarHBondContact O-OG1 3.25Å; D60-T63 PolarHBondContact O-N 3.27Å; E61-T63 VanDerWaalsContact C-N 3.32Å; E61-T63 PolarHBondContact O-N 2.73Å; T63-V66 WeakPolarHBondContact O-CG1 3.33Å; T63-K67 HydrophobicContact CG2-CD 4.12Å; T63-K67 WeakPolarHBondContact O-CB 3.4Å; T63-K67 VanDerWaalsContact O-CG 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.28Å; T63-K67 PolarHBondContact O-N 3.37Å; T63-K67 VanDerWaalsContact O-N 3.09Å
64G98.3Very high97Very high42 Ų4255.9 Ų55.943%0.43330%0.304SS..Hα-helixtrans-62.3-49.5176.200000112D60 E61 E62 K67 A68D60-G64 PolarHBondContact O-N 2.72Å; E61-G64 PolarHBondContact O-N 2.64Å; E61-G64 VanDerWaalsContact O-N 3.1Å; E62-G64 VanDerWaalsContact C-N 3.35Å; G64-K67 PolarHBondContact O-N 3.04Å; G64-A68 PolarHBondContact O-N 3.01Å
65K96.8Very high97.2Very high94 Ų9459.3 Ų59.341%0.40932%0.32SS..Hα-helixtrans-58.9-49.6178.1-71.2172.8-173.81590112E61 E62 K67 A68 H69E61-K65 HydrophobicContact CG-CD 4.42Å; E61-K65 WeakPolarHBondContact O-CG 3.45Å; E61-K65 PolarHBondContact O-N 2.81Å; E61-K65 WeakPolarHBondContact OE1-CE 3.45Å; E61-K65 IonicContact OE1-NZ 3.94Å; E61-K65 PolarHBondContact OE1-NZ 2.94Å; E62-K65 PolarHBondContact O-N 2.95Å; E62-K65 IonicContact OE1-NZ 3.48Å; E62-K65 PolarHBondContact OE1-NZ 3.24Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 2.88Å; K65-A68 PolarHBondContact O-N 3.21Å; K65-H69 WeakPolarHBondContact O-CB 3.35Å; K65-H69 PolarHBondContact O-N 2.88Å
66V98.1Very high97.3Very high11 Ų1159.6 Ų59.67%0.06731%0.313CS..Hα-helixtrans-68.2-33-177.374.80000112.3F21 A23 F35 M44 E62 T63 H69 S70F21-V66 HydrophobicContact CE1-CG2 3.61Å; F21-V66 HydrophobicContact CZ-CG2 4.28Å; A23-V66 HydrophobicContact CB-CG2 3.81Å; F35-V66 HydrophobicContact CB-CG1 4.13Å; F35-V66 HydrophobicContact CB-CG2 3.8Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.96Å; 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 4.42Å; F35-V66 HydrophobicContact CG-CG1 3.69Å; F35-V66 HydrophobicContact CG-CG2 3.78Å; F35-V66 HydrophobicContact CZ-CG1 4.4Å; M44-V66 HydrophobicContact CE-CB 3.77Å; M44-V66 HydrophobicContact CE-CG1 3.96Å; M44-V66 HydrophobicContact CE-CG2 3.98Å; E62-V66 WeakPolarHBondContact O-CB 3.43Å; E62-V66 WeakPolarHBondContact O-CG1 3.28Å; E62-V66 PolarHBondContact O-N 2.91Å; T63-V66 WeakPolarHBondContact O-CG1 3.33Å; V66-H69 PolarHBondContact O-N 3.19Å; V66-S70 WeakPolarHBondContact O-CB 2.95Å; V66-S70 PolarHBondContact O-N 3.04Å
67K98.3Very high97.4Very high82 Ų8255.2 Ų55.236%0.35728%0.284SS..Hα-helixtrans-67.1-43.3172.6-77.8-177.8179179.40111.9F35 Q42 T63 G64 K65 H69 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.23Å; 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 4.12Å; T63-K67 WeakPolarHBondContact O-CB 3.4Å; T63-K67 VanDerWaalsContact O-CG 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.28Å; T63-K67 PolarHBondContact O-N 3.37Å; T63-K67 VanDerWaalsContact O-N 3.09Å; G64-K67 PolarHBondContact O-N 3.04Å; K65-K67 VanDerWaalsContact C-N 3.33Å; K65-K67 PolarHBondContact O-N 2.88Å; K67-H69 VanDerWaalsContact C-N 3.32Å; K67-H69 PolarHBondContact O-N 3.41Å; K67-S70 WeakPolarHBondContact O-CB 3.03Å; K67-S70 PolarHBondContact O-N 2.89Å; K67-Q71 WeakPolarHBondContact O-CG 3.3Å; K67-Q71 PolarHBondContact O-N 2.8Å; K67-Q71 VanDerWaalsContact O-N 3.12Å
68A97.9Very high97.3Very high58 Ų5852.7 Ų52.748%0.47927%0.267SS..Hα-helixtrans-60.8-43.8174.800000111.2G64 K65 S70 Q71 T72G64-A68 PolarHBondContact O-N 3.01Å; K65-A68 PolarHBondContact O-N 3.21Å; A68-S70 PolarHBondContact O-N 3.04Å; A68-Q71 PolarHBondContact O-N 3.29Å; A68-T72 PolarHBondContact O-N 2.87Å; A68-T72 VanDerWaalsContact O-N 3.07Å; A68-T72 PolarHBondContact O-OG1 2.98Å
69H97.1Very high97.3Very high40 Ų4053.8 Ų53.819%0.18527%0.274CS..Hα-helixtrans-61.6-42.9175.8-173.868.1000112.3S8 F21 K65 V66 K67 Q71 T72 D73 M96S8-H69 PolarHBondContact OG-NE2 3.15Å; F21-H69 AromaticContact CE2-CD2 3.42Å; F21-H69 VanDerWaalsContact CE2-CD2 3.42Å; F21-H69 WeakPolarHBondContact CE2-CD2 3.34Å; F21-H69 AromaticContact CE2-NE2 3.89Å; F21-H69 AromaticContact CZ-CD2 3.4Å; F21-H69 VanDerWaalsContact CZ-CD2 3.4Å; F21-H69 WeakPolarHBondContact CZ-CD2 3.23Å; K65-H69 WeakPolarHBondContact O-CB 3.35Å; K65-H69 PolarHBondContact O-N 2.88Å; V66-H69 PolarHBondContact O-N 3.19Å; K67-H69 VanDerWaalsContact C-N 3.32Å; K67-H69 PolarHBondContact O-N 3.41Å; H69-Q71 VanDerWaalsContact C-N 3.28Å; H69-Q71 PolarHBondContact O-N 3.02Å; H69-T72 WeakPolarHBondContact O-CB 3.18Å; H69-T72 PolarHBondContact O-N 2.86Å; H69-T72 VanDerWaalsContact O-N 3.16Å; H69-D73 IonicContact CE1-OD1 2.73Å; H69-D73 PolarHBondContact CE1-OD1 2.84Å; H69-D73 IonicContact NE2-OD1 3.06Å; H69-D73 PolarHBondContact NE2-OD1 2.89Å; H69-D73 IonicContact NE2-OD2 3.78Å; H69-D73 PolarHBondContact NE2-OD2 2.89Å; H69-D73 PolarHBondContact O-N 2.82Å; H69-M96 WeakPolarHBondContact CE1-CE 3.12Å
70S97.8Very high97.3Very high20 Ų2052.6 Ų52.614%0.1427%0.271CS..Hα-helixtrans-57.9-38.2174.5176.60000113F21 V66 K67 A68 R74F21-S70 VanDerWaalsContact CB-OG 3.29Å; F21-S70 WeakPolarHBondContact CB-OG 3.32Å; F21-S70 VanDerWaalsContact CG-CB 3.5Å; F21-S70 WeakPolarHBondContact CG-OG 3.35Å; V66-S70 WeakPolarHBondContact O-CB 2.95Å; V66-S70 PolarHBondContact O-N 3.04Å; K67-S70 WeakPolarHBondContact O-CB 3.03Å; K67-S70 PolarHBondContact O-N 2.89Å; A68-S70 PolarHBondContact O-N 3.04Å; S70-R74 PolarHBondContact O-N 2.04Å; S70-R74 VanDerWaalsContact O-N 3.09Å
71Q97.4Very high97.2Very high89 Ų8949.8 Ų49.842%0.41626%0.256SS..Hα-helixtrans-68-43.2175.4-64.7-56.4-29.900112.1K67 A68 H69 D73 R74 E75K67-Q71 WeakPolarHBondContact O-CG 3.3Å; K67-Q71 PolarHBondContact O-N 2.8Å; K67-Q71 VanDerWaalsContact O-N 3.12Å; A68-Q71 PolarHBondContact O-N 3.29Å; H69-Q71 VanDerWaalsContact C-N 3.28Å; H69-Q71 PolarHBondContact O-N 3.02Å; Q71-D73 VanDerWaalsContact C-N 3.33Å; Q71-D73 PolarHBondContact O-N 2.98Å; Q71-R74 WeakPolarHBondContact O-CB 3.47Å; Q71-R74 PolarHBondContact O-N 3.29Å; Q71-R74 VanDerWaalsContact OE1-NE 3.08Å; Q71-E75 PolarHBondContact O-N 2.7Å; Q71-E75 VanDerWaalsContact O-N 3.13Å
72T97Very high97.2Very high65 Ų6552.1 Ų52.140%0.39926%0.26SS..Hα-helixtrans-58.9-44.6174.9-61.20000111.3A68 H69 R74 E75 N76A68-T72 PolarHBondContact O-N 2.87Å; A68-T72 VanDerWaalsContact O-N 3.07Å; A68-T72 PolarHBondContact O-OG1 2.98Å; H69-T72 WeakPolarHBondContact O-CB 3.18Å; H69-T72 PolarHBondContact O-N 2.86Å; H69-T72 VanDerWaalsContact O-N 3.16Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-R74 PolarHBondContact O-N 3.17Å; T72-E75 PolarHBondContact O-N 3.12Å; T72-N76 WeakPolarHBondContact O-CB 3.43Å; T72-N76 VanDerWaalsContact O-CG 3.25Å; T72-N76 PolarHBondContact O-N 3.2Å; T72-N76 PolarHBondContact O-ND2 2.73Å
73D97.3Very high97.2Very high0 Ų053.1 Ų53.10%026%0.263CS..Hα-helixtrans-65-37.2178.1-91.116.2000112.9S10 F21 H69 Q71 E75 N76 L77 L94S10-D73 WeakPolarHBondContact OG-CB 3.29Å; S10-D73 PolarHBondContact OG-OD2 2.88Å; F21-D73 HydrophobicContact CD2-CB 4.29Å; F21-D73 HydrophobicContact CE2-CB 4.36Å; H69-D73 IonicContact CE1-OD1 2.73Å; H69-D73 PolarHBondContact CE1-OD1 2.84Å; H69-D73 IonicContact NE2-OD1 3.06Å; H69-D73 PolarHBondContact NE2-OD1 2.89Å; H69-D73 IonicContact NE2-OD2 3.78Å; H69-D73 PolarHBondContact NE2-OD2 2.89Å; H69-D73 PolarHBondContact O-N 2.82Å; Q71-D73 VanDerWaalsContact C-N 3.33Å; Q71-D73 PolarHBondContact O-N 2.98Å; D73-E75 VanDerWaalsContact C-N 3.31Å; D73-E75 PolarHBondContact O-N 2.88Å; D73-N76 PolarHBondContact O-N 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.44Å; D73-L77 PolarHBondContact O-N 2.98Å; D73-L94 HydrophobicContact CB-CD2 4.23Å
74R96.8Very high97.1Very high61 Ų6155.8 Ų55.823%0.2327%0.272CS..Hα-helixtrans-59.1-43.3172.6175.8178.368.71561.6111.5E18 P19 S70 Q71 T72 R78E18-R74 VanDerWaalsContact CD-NH1 3.31Å; E18-R74 IonicContact OE1-CZ 3.8Å; E18-R74 IonicContact OE1-NH1 2.69Å; E18-R74 PolarHBondContact OE1-NH1 2.88Å; E18-R74 WeakPolarHBondContact OE2-CD 3.42Å; E18-R74 IonicContact OE2-NE 3.36Å; E18-R74 IonicContact OE2-NH1 3.05Å; P19-R74 HydrophobicContact CG-CG 4.19Å; S70-R74 PolarHBondContact O-N 2.04Å; S70-R74 VanDerWaalsContact O-N 3.09Å; Q71-R74 WeakPolarHBondContact O-CB 3.47Å; Q71-R74 PolarHBondContact O-N 3.29Å; Q71-R74 VanDerWaalsContact OE1-NE 3.08Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-R74 PolarHBondContact O-N 3.17Å; R74-R78 PolarHBondContact O-N 2.79Å
75E96.6Very high97Very high106 Ų10661 Ų6150%0.49529%0.29SS..Hα-helixtrans-68.4-41.4176.2-68.6-177.8-177.300111.9Q71 T72 D73 L77 R78 I79Q71-E75 PolarHBondContact O-N 2.7Å; Q71-E75 VanDerWaalsContact O-N 3.13Å; T72-E75 PolarHBondContact O-N 3.12Å; D73-E75 VanDerWaalsContact C-N 3.31Å; D73-E75 PolarHBondContact O-N 2.88Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 2.88Å; E75-R78 WeakPolarHBondContact O-CB 3.24Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 VanDerWaalsContact O-N 3.1Å; E75-I79 WeakPolarHBondContact O-CG1 3.32Å; E75-I79 PolarHBondContact O-N 3.42Å
76N96.9Very high97Very high42 Ų4259.6 Ų59.623%0.22529%0.285CS..Hα-helixtrans-61.5-38.9177.5-73.6-26.9000112.3T72 D73 R78 I79 A80 L94T72-N76 WeakPolarHBondContact O-CB 3.43Å; T72-N76 VanDerWaalsContact O-CG 3.25Å; T72-N76 PolarHBondContact O-N 3.2Å; T72-N76 PolarHBondContact O-ND2 2.73Å; D73-N76 PolarHBondContact O-N 3.29Å; N76-R78 VanDerWaalsContact C-N 3.32Å; N76-R78 PolarHBondContact O-N 3.35Å; N76-I79 PolarHBondContact O-N 3.01Å; N76-A80 WeakPolarHBondContact O-CB 3.31Å; N76-A80 PolarHBondContact O-N 2.87Å; N76-L94 HydrophobicContact CB-CD2 3.56Å
77L97.3Very high96.7Very high4 Ų463 Ų632%0.02131%0.309CS..Hα-helixtrans-58.1-43.2172.7-79.2168.3000111.8P19 D73 E75 I79 A80 L81 H92 L94 Y117P19-L77 HydrophobicContact CB-CD1 3.74Å; P19-L77 HydrophobicContact CG-CD1 3.82Å; D73-L77 WeakPolarHBondContact O-CG 3.44Å; D73-L77 PolarHBondContact O-N 2.98Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 2.88Å; L77-I79 VanDerWaalsContact C-N 3.35Å; L77-A80 PolarHBondContact O-N 2.91Å; L77-L81 WeakPolarHBondContact O-CB 3.47Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 2.81Å; L77-H92 HydrophobicContact CD2-CB 4.3Å; L77-L94 HydrophobicContact CD2-CB 3.7Å; L77-L94 HydrophobicContact CG-CB 4.07Å; L77-Y117 HydrophobicContact CD2-CE2 4.09Å
78R95.7Very high96.4Very high112 Ų11267 Ų6742%0.42333%0.33SS..Hα-helixtrans-67.8-34.3176.6-63.6173.5-175.2154.70.7112.4E18 R74 E75 N76 R82E18-R78 IonicContact OE2-NH2 3.19Å; R74-R78 PolarHBondContact O-N 2.79Å; E75-R78 WeakPolarHBondContact O-CB 3.24Å; E75-R78 PolarHBondContact O-N 3Å; E75-R78 VanDerWaalsContact O-N 3.1Å; N76-R78 VanDerWaalsContact C-N 3.32Å; N76-R78 PolarHBondContact O-N 3.35Å; R78-R82 PolarHBondContact O-N 2.93Å
79I96.2Very high96.2Very high45 Ų4568.2 Ų68.223%0.23134%0.339CS..Hα-helixtrans-69-46.9175.7-69.6165.5000110.5E75 N76 L77 L81 R82 Y83E75-I79 WeakPolarHBondContact O-CG1 3.32Å; E75-I79 PolarHBondContact O-N 3.42Å; N76-I79 PolarHBondContact O-N 3.01Å; L77-I79 VanDerWaalsContact C-N 3.35Å; I79-L81 PolarHBondContact O-N 2.93Å; I79-R82 VanDerWaalsContact CG1-NH2 3.33Å; I79-R82 WeakPolarHBondContact O-CB 3.45Å; I79-R82 PolarHBondContact O-N 3.32Å; I79-R82 VanDerWaalsContact O-N 3.13Å; I79-Y83 HydrophobicContact CG2-CD1 4.28Å; I79-Y83 HydrophobicContact CG2-CD2 3.95Å; I79-Y83 HydrophobicContact CG2-CE1 3.83Å; I79-Y83 HydrophobicContact CG2-CE2 3.46Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.46Å; I79-Y83 HydrophobicContact CG2-CG 4.33Å; I79-Y83 PolarHBondContact O-N 3.35Å
80A96.4Very high96Very high5 Ų567.5 Ų67.54%0.04134%0.343CS..Hα-helixtrans-60-47.2179.800000111.1N76 L77 R82 Y83 Y84 Y117N76-A80 WeakPolarHBondContact O-CB 3.31Å; N76-A80 PolarHBondContact O-N 2.87Å; L77-A80 PolarHBondContact O-N 2.91Å; A80-R82 PolarHBondContact O-N 2.92Å; A80-R82 VanDerWaalsContact O-N 3.16Å; A80-Y83 PolarHBondContact O-N 2.62Å; A80-Y84 HydrophobicContact CB-CD2 4.49Å; A80-Y84 VanDerWaalsContact O-CD2 3.28Å; A80-Y84 WeakPolarHBondContact O-CD2 3.36Å; A80-Y84 PolarHBondContact O-N 2.86Å; A80-Y117 HydrophobicContact CB-CD1 4.32Å; A80-Y117 HydrophobicContact CB-CD2 3.98Å; A80-Y117 HydrophobicContact CB-CE1 3.99Å; A80-Y117 HydrophobicContact CB-CE2 3.64Å; A80-Y117 HydrophobicContact CB-CG 4.31Å
81L96.3Very high96Very high27 Ų2770.2 Ų70.214%0.14136%0.362CS..Hα-helixtrans-47.2-46.1172.5-84.8169.9000112.5L77 I79 N85 Q86 H92L77-L81 WeakPolarHBondContact O-CB 3.47Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 2.81Å; I79-L81 PolarHBondContact O-N 2.93Å; L81-N85 PolarHBondContact O-N 2.86Å; L81-N85 VanDerWaalsContact O-N 3.12Å; L81-Q86 HydrophobicContact CD2-CB 3.69Å; L81-Q86 PolarHBondContact O-N 2.83Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.38Å; L81-H92 VanDerWaalsContact CD2-NE2 3.33Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.31Å
82R96.6Very high96Very high159 Ų15966.7 Ų66.760%0.635%0.346SS*.Hα-helixtrans-70.2-43178.3-70.1-171.2-63.6-100.72.4112.8R78 I79 A80 Y84 N85R78-R82 PolarHBondContact O-N 2.93Å; I79-R82 VanDerWaalsContact CG1-NH2 3.33Å; I79-R82 WeakPolarHBondContact O-CB 3.45Å; I79-R82 PolarHBondContact O-N 3.32Å; I79-R82 VanDerWaalsContact O-N 3.13Å; A80-R82 PolarHBondContact O-N 2.92Å; A80-R82 VanDerWaalsContact O-N 3.16Å; R82-Y84 VanDerWaalsContact C-N 3.25Å; R82-Y84 PolarHBondContact O-N 2.96Å; R82-N85 PolarHBondContact O-N 3.42Å; R82-N85 PolarHBondContact O-OD1 3.41Å
83Y97.3Very high96.1Very high45 Ų4565.4 Ų65.418%0.17634%0.338CS..Hα-helixtrans-64.1-33.4-179.7-69.5-8.4000112.5I79 A80 I141 K145I79-Y83 HydrophobicContact CG2-CD1 4.28Å; I79-Y83 HydrophobicContact CG2-CD2 3.95Å; I79-Y83 HydrophobicContact CG2-CE1 3.83Å; I79-Y83 HydrophobicContact CG2-CE2 3.46Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.46Å; I79-Y83 HydrophobicContact CG2-CG 4.33Å; I79-Y83 PolarHBondContact O-N 3.35Å; A80-Y83 PolarHBondContact O-N 2.62Å; Y83-I141 HydrophobicContact CD1-CD1 4.1Å; Y83-I141 HydrophobicContact CD2-CB 4.42Å; Y83-I141 HydrophobicContact CD2-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.32Å; Y83-I141 HydrophobicContact CE1-CG2 3.96Å; Y83-I141 HydrophobicContact CE2-CB 3.98Å; Y83-I141 HydrophobicContact CE2-CG2 3.95Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.24Å; Y83-K145 PolarHBondContact OH-NZ 2.99Å
84Y97.2Very high96.1Very high64 Ų6465.7 Ų65.725%0.25134%0.339SS..THydrogen-bonded Turntrans-92.71.4178.1-70.5-73.7000114.1A80 R82 Q86 Y117 Y122 D136 A138A80-Y84 HydrophobicContact CB-CD2 4.49Å; A80-Y84 VanDerWaalsContact O-CD2 3.28Å; A80-Y84 WeakPolarHBondContact O-CD2 3.36Å; A80-Y84 PolarHBondContact O-N 2.86Å; R82-Y84 VanDerWaalsContact C-N 3.25Å; R82-Y84 PolarHBondContact O-N 2.96Å; Y84-Q86 PolarHBondContact O-N 3.25Å; Y84-Y117 AromaticContact CD2-CD1 3.75Å; Y84-Y117 HydrophobicContact CD2-CD1 3.75Å; Y84-Y117 AromaticContact CD2-CE1 3.54Å; Y84-Y117 HydrophobicContact CD2-CE1 3.54Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.46Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.27Å; Y84-Y122 AromaticContact CE2-CE2 3.93Å; Y84-Y122 HydrophobicContact CE2-CE2 3.93Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.38Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.33Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.08Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.22Å; Y84-D136 PolarHBondContact OH-OD1 3.42Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 3.04Å; Y84-A138 HydrophobicContact CD1-CB 4.03Å; Y84-A138 HydrophobicContact CD2-CB 4.3Å; Y84-A138 HydrophobicContact CE1-CB 3.55Å; Y84-A138 HydrophobicContact CE2-CB 3.84Å; Y84-A138 HydrophobicContact CG-CB 4.39Å; Y84-A138 VanDerWaalsContact CZ-CB 3.44Å
85N96.1Very high96.2Very high152 Ų15266.4 Ų66.481%0.81335%0.345SS*.THydrogen-bonded Turntrans5240.9-176-56.8-58.4000113.2L81 R82L81-N85 PolarHBondContact O-N 2.86Å; L81-N85 VanDerWaalsContact O-N 3.12Å; R82-N85 PolarHBondContact O-N 3.42Å; R82-N85 PolarHBondContact O-OD1 3.41Å
86Q96.2Very high96.3Very high64 Ų6461.9 Ų61.930%0.29932%0.324SS..  trans-89.3156.3-177.7-72.5166.5-36.800111.9L81 Y84 H92 Y117 D118L81-Q86 HydrophobicContact CD2-CB 3.69Å; L81-Q86 PolarHBondContact O-N 2.83Å; Y84-Q86 PolarHBondContact O-N 3.25Å; Q86-H92 PolarHBondContact NE2-CE1 3.26Å; Q86-H92 PolarHBondContact OE1-CE1 3.17Å; Q86-Y117 PolarHBondContact OE1-OH 2.94Å; Q86-D118 PolarHBondContact NE2-OD2 2.9Å
87S93.5Very high96.4Very high82 Ų8260.9 Ų60.957%0.57332%0.318SS*.  trans-75.6143.2177.4176.80000111.8A89 G90S87-A89 PolarHBondContact O-N 2.93Å; S87-A89 PolarHBondContact OG-N 2.89Å; S87-G90 PolarHBondContact O-N 2.7Å
88E91.4Very high96.4Very high168 Ų16862.6 Ų62.679%0.78533%0.326SS*.THydrogen-bonded Turntrans-67.1-12.6173.2-61.3-172.4168.200113.8P14 G90P14-E88 VanDerWaalsContact CB-O 3.27Å; P14-E88 WeakPolarHBondContact CB-O 3.4Å; P14-E88 WeakPolarHBondContact CG-O 3.4Å; E88-G90 VanDerWaalsContact C-N 3.29Å
89A92.4Very high96.5Very high82 Ų8257.3 Ų57.368%0.67831%0.306SS*.THydrogen-bonded Turntrans-76.7-17.3177.100000112.9S87S87-A89 PolarHBondContact O-N 2.93Å; S87-A89 PolarHBondContact OG-N 2.89Å
90G93.4Very high96.7Very high26 Ų2655.1 Ų55.127%0.26830%0.295SS..SBendtrans-79.3139.2-179.200000113.1P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.47Å; S87-G90 PolarHBondContact O-N 2.7Å; E88-G90 VanDerWaalsContact C-N 3.29Å; G90-H92 PolarHBondContact O-CD2 3.48Å
91S97.1Very high96.8Very high77 Ų7756.1 Ų56.154%0.53830%0.299SS..  trans-79.9131.5164.5-176.80000108.7S12S12-S91 PolarHBondContact O-OG 3.33Å
92H98.1Very high96.8Very high15 Ų1554.9 Ų54.97%0.06929%0.293CS..  trans-130.6152-177.6-66-79000110.6V11 S12 L77 L81 Q86 G90 Y117 D118V11-H92 CarbonylContact C-O 3.53Å; V11-H92 WeakPolarHBondContact CA-O 3.29Å; S12-H92 PolarHBondContact N-O 2.72Å; S12-H92 PolarHBondContact OG-N 3.28Å; S12-H92 PolarHBondContact OG-O 2.91Å; L77-H92 HydrophobicContact CD2-CB 4.3Å; L81-H92 WeakPolarHBondContact CD2-CD2 3.38Å; L81-H92 VanDerWaalsContact CD2-NE2 3.33Å; L81-H92 WeakPolarHBondContact CD2-NE2 3.31Å; Q86-H92 PolarHBondContact NE2-CE1 3.26Å; Q86-H92 PolarHBondContact OE1-CE1 3.17Å; G90-H92 PolarHBondContact O-CD2 3.48Å; H92-Y117 HydrophobicContact CB-CE2 3.9Å; H92-Y117 WeakPolarHBondContact CB-OH 3.32Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.85Å; H92-Y117 PolarHBondContact ND1-OH 3.29Å; H92-D118 WeakPolarHBondContact CA-OD1 3.34Å; H92-D118 WeakPolarHBondContact CB-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 3.51Å; H92-D118 IonicContact CG-OD1 2.73Å; H92-D118 IonicContact CG-OD2 3.94Å; H92-D118 IonicContact ND1-OD1 3.7Å; H92-D118 PolarHBondContact ND1-OD1 3.15Å; H92-D118 IonicContact ND1-OD2 2.76Å; H92-D118 PolarHBondContact ND1-OD2 3.22Å
93T98.6Very high96.8Very high38 Ų3847.7 Ų47.723%0.23327%0.268CS..EExtended strand (participates in β ladder)trans-123.5126.6-175.5-57.20000109.9T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.84Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 WeakPolarHBondContact O-CA 3.39Å; V11-T93 HydrophobicContact CG2-CG2 4.25Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.11Å; T93-Y117 WeakPolarHBondContact O-CD2 3.4Å; T93-D118 PolarHBondContact N-OD1 3.01Å; T93-D118 PolarHBondContact O-N 3.18Å
94L98.7Very high96.4Very high6 Ų651.2 Ų51.23%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-110.6130168.6-176.670.4000108.2T9 S10 D73 N76 L77 Y115 Y117T9-L94 WeakPolarHBondContact CA-O 3.37Å; S10-L94 PolarHBondContact N-O 2.83Å; S10-L94 PolarHBondContact O-N 3.44Å; D73-L94 HydrophobicContact CB-CD2 4.23Å; N76-L94 HydrophobicContact CB-CD2 3.56Å; L77-L94 HydrophobicContact CD2-CB 3.7Å; L77-L94 HydrophobicContact CG-CB 4.07Å; L94-Y115 HydrophobicContact CD1-CD1 3.94Å; L94-Y115 HydrophobicContact CD2-CD1 4.42Å; L94-Y115 HydrophobicContact CD2-CE1 4.35Å; L94-Y115 HydrophobicContact CG-CD1 4.18Å; L94-Y117 HydrophobicContact CD1-CD2 4.31Å
95Q98.8Very high96.2Very high75 Ų7552.1 Ų52.135%0.3531%0.309SS..EExtended strand (participates in β ladder)trans-123.8145177.8-60.6173.5-90.700109.2S8 T9 T93 Y115 A116S8-Q95 VanDerWaalsContact O-CA 3.32Å; S8-Q95 WeakPolarHBondContact O-CA 3.46Å; T9-Q95 HydrophobicContact CG2-CG 4.06Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; Q95-Y115 CarbonylContact O-C 3.59Å; Q95-Y115 WeakPolarHBondContact O-CA 3.3Å; Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3.12Å; Q95-A116 PolarHBondContact O-N 3.44Å
96M98.3Very high95.9Very high12 Ų1245.6 Ų45.66%0.05928%0.277CS..EExtended strand (participates in β ladder)trans-131.7141172.2176.9-150.5-96.100109.2F7 S8 H69 F98 Q114 Y115F7-M96 CarbonylContact C-O 3.59Å; F7-M96 WeakPolarHBondContact CA-O 3.31Å; S8-M96 PolarHBondContact N-O 3.43Å; S8-M96 PolarHBondContact O-N 3.5Å; H69-M96 WeakPolarHBondContact CE1-CE 3.12Å; M96-F98 HydrophobicContact CG-CD1 4.26Å; M96-F98 HydrophobicContact SD-CD1 3.37Å; M96-F98 WeakPolarHBondContact SD-CD1 3.41Å; M96-F98 HydrophobicContact SD-CE1 3.81Å; M96-F98 HydrophobicContact SD-CG 4.34Å; M96-Q114 CarbonylContact C-O 3.59Å; M96-Q114 VanDerWaalsContact CA-O 3.29Å; M96-Q114 WeakPolarHBondContact CA-O 3.36Å; M96-Y115 HydrophobicContact CB-CD1 3.95Å; M96-Y115 HydrophobicContact CB-CE1 3.96Å; M96-Y115 HydrophobicContact CB-CG 4.38Å; M96-Y115 HydrophobicContact CE-CE1 3.78Å; M96-Y115 HydrophobicContact CE-CE2 3.49Å; M96-Y115 VanDerWaalsContact CE-CE2 3.49Å; M96-Y115 WeakPolarHBondContact CE-OH 3.43Å; M96-Y115 HydrophobicContact CG-CD1 4.42Å; M96-Y115 HydrophobicContact CG-CD2 4.34Å; M96-Y115 HydrophobicContact CG-CE1 4.24Å; M96-Y115 HydrophobicContact CG-CE2 4.1Å
97M98.5Very high95.9Very high21 Ų2150.5 Ų50.510%0.10329%0.293CS..EExtended strand (participates in β ladder)trans-124.8132.6161.4-177-82-75.800109.5Y6 F7 Y112 H113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.38Å; F7-M97 HydrophobicContact CD1-CB 3.85Å; F7-M97 HydrophobicContact CD1-CG 3.64Å; F7-M97 HydrophobicContact CE1-CB 3.98Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.9Å; M97-Y112 HydrophobicContact CE-CD1 4.09Å; M97-Y112 HydrophobicContact CE-CG 4.05Å; M97-Y112 HydrophobicContact SD-CG 4.33Å; M97-H113 WeakPolarHBondContact O-CA 3.46Å; M97-Q114 HydrophobicContact CB-CG 4.08Å; M97-Q114 VanDerWaalsContact CE-CD 3.49Å; M97-Q114 HydrophobicContact CE-CG 4.02Å; M97-Q114 PolarHBondContact N-O 2.9Å; M97-Q114 PolarHBondContact O-N 3.36Å
98F98.2Very high96.1Very high40 Ų4049.4 Ų49.418%0.17528%0.278CS..EExtended strand (participates in β ladder)trans-14315817072.2-81000111.3Y6 M96 Y112 H113 Y158Y6-F98 VanDerWaalsContact CB-CE1 3.42Å; Y6-F98 HydrophobicContact CD2-CD2 4.39Å; Y6-F98 HydrophobicContact CD2-CE1 4.48Å; Y6-F98 AromaticContact CD2-CE2 3.67Å; Y6-F98 HydrophobicContact CD2-CE2 3.67Å; Y6-F98 AromaticContact CD2-CZ 3.73Å; Y6-F98 HydrophobicContact CD2-CZ 3.73Å; Y6-F98 HydrophobicContact CE2-CE2 4.42Å; Y6-F98 HydrophobicContact CG-CE1 4.18Å; Y6-F98 HydrophobicContact CG-CE2 4.17Å; Y6-F98 AromaticContact CG-CZ 3.75Å; Y6-F98 HydrophobicContact CG-CZ 3.75Å; Y6-F98 PolarHBondContact N-O 3.12Å; Y6-F98 PolarHBondContact O-N 3.23Å; M96-F98 HydrophobicContact CG-CD1 4.26Å; M96-F98 HydrophobicContact SD-CD1 3.37Å; M96-F98 WeakPolarHBondContact SD-CD1 3.41Å; M96-F98 HydrophobicContact SD-CE1 3.81Å; M96-F98 HydrophobicContact SD-CG 4.34Å; F98-Y112 CarbonylContact C-O 3.58Å; F98-Y112 WeakPolarHBondContact CA-O 3.3Å; F98-Y112 WeakPolarHBondContact CB-O 3.33Å; F98-H113 HydrophobicContact CB-CB 4.32Å; F98-Y158 AromaticContact CD2-CE1 3.77Å; F98-Y158 HydrophobicContact CD2-CE1 3.77Å; F98-Y158 AromaticContact CE2-CE1 3.67Å; F98-Y158 HydrophobicContact CE2-CE1 3.67Å; F98-Y158 AromaticContact CE2-CZ 3.89Å
99G98.4Very high96.4Very high0 Ų046.5 Ų46.50%027%0.267CS..EExtended strand (participates in β ladder)trans157.3-178.3179.400000113.7M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.52Å; M4-G99 WeakPolarHBondContact O-CA 3.34Å; G99-G111 CarbonylContact O-C 3.54Å; G99-G111 WeakPolarHBondContact O-CA 3.18Å; G99-Y112 PolarHBondContact N-O 2.86Å; G99-Y112 WeakPolarHBondContact O-CD2 3.32Å; G99-Y112 PolarHBondContact O-N 3.02Å; G99-L159 VanDerWaalsContact O-CD2 3.25Å; G99-L159 WeakPolarHBondContact O-CD2 3.39Å
100C98.6Very high96.7Very high0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-133.5151.3-173.956.30000111.5S3 M4 F108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.38Å; M4-C100 PolarHBondContact N-O 3.04Å; M4-C100 PolarHBondContact O-N 3.06Å; C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.17Å; C100-R110 CarbonylContact C-O 3.41Å; C100-R110 VanDerWaalsContact CA-O 3.32Å; C100-R110 WeakPolarHBondContact CA-O 3.24Å; C100-C163 HydrophobicContact CB-CB 3.88Å; C100-C163 WeakPolarHBondContact CB-SG 3.3Å; C100-C163 PolarHBondContact N-SG 3.5Å; C100-C163 WeakPolarHBondContact SG-CB 3.28Å; C100-C163 PolarHBondContact SG-O 3.2Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.05Å; C100-V164 HydrophobicContact CB-CG2 4.4Å
101D98.3Very high96.9Very high26 Ų2646 Ų4614%0.13924%0.241CC..EExtended strand (participates in β ladder)trans-112.5140.5171.8-60-14.2000109.3H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.53Å; H2-D101 WeakPolarHBondContact O-CA 3.42Å; S3-D101 WeakPolarHBondContact CB-OD1 3.29Å; R5-D101 IonicContact CZ-OD1 3.66Å; R5-D101 IonicContact NE-OD1 3.73Å; R5-D101 PolarHBondContact NE-OD1 2.9Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 2.78Å; R5-D101 PolarHBondContact NH2-OD1 3.19Å; R5-D101 IonicContact NH2-OD2 2.69Å; R5-D101 PolarHBondContact NH2-OD2 3.15Å; D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 3.43Å; D101-R110 HydrophobicContact CB-CB 4.3Å; D101-R110 PolarHBondContact N-O 2.84Å; D101-R110 PolarHBondContact O-N 2.91Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.42Å; D101-Y112 PolarHBondContact OD2-OH 3.39Å
102V97.6Very high97Very high0 Ų044.3 Ų44.30%022%0.223CC..EExtended strand (participates in β ladder)trans-125147.1176.2-59.80000111.7S1 H2 R107 V164 L167 L171S1-V102 WeakPolarHBondContact CA-O 3.33Å; S1-V102 VanDerWaalsContact CB-O 3.26Å; S1-V102 WeakPolarHBondContact CB-O 3.43Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 3.31Å; H2-V102 PolarHBondContact O-N 3.49Å; V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.47Å; V102-V164 HydrophobicContact CG1-CB 4.4Å; V102-V164 HydrophobicContact CG1-CG1 3.97Å; V102-V164 HydrophobicContact CG1-CG2 4.02Å; V102-L167 HydrophobicContact CB-CD2 4.39Å; V102-L167 HydrophobicContact CG1-CD2 4.01Å; V102-L167 HydrophobicContact CG2-CD2 3.6Å; V102-L167 HydrophobicContact CG2-CG 4.2Å; V102-L171 HydrophobicContact CG2-CD1 4.5Å
103G95.5Very high97Very high9 Ų943.9 Ų43.99%0.09322%0.222CC..  trans-67.5173.317400000112D105 G106 R107G103-D105 PolarHBondContact O-N 2.79Å; G103-G106 WeakPolarHBondContact O-CA 3.49Å; G103-G106 PolarHBondContact O-N 3.45Å; G103-R107 PolarHBondContact N-O 3.25Å
104S90.6Very high97Very high118 Ų11845.7 Ų45.783%0.82523%0.227SC*.THydrogen-bonded Turntrans-61.9-23.7171.247.20000112.9G106S104-G106 PolarHBondContact O-N 2.85Å
105D91.1Very high97Very high84 Ų8446.4 Ų46.445%0.44923%0.23SC..THydrogen-bonded Turntrans-84.15.2171.9625.7000113.3G103 R107G103-D105 PolarHBondContact O-N 2.79Å; D105-R107 PolarHBondContact O-N 3.4Å; D105-R107 WeakPolarHBondContact OD1-CB 3.44Å; D105-R107 PolarHBondContact OD1-N 3.25Å; D105-R107 IonicContact OD1-NE 3.87Å; D105-R107 IonicContact OD2-CZ 2.72Å; D105-R107 IonicContact OD2-NE 3.85Å; D105-R107 PolarHBondContact OD2-NE 3.2Å; D105-R107 IonicContact OD2-NH2 2.69Å; D105-R107 PolarHBondContact OD2-NH2 3.21Å
106G91.4Very high97Very high15 Ų1543.6 Ų43.616%0.15522%0.219CC..  trans72.52.8-178.400000114.5G103 S104 R168G103-G106 WeakPolarHBondContact O-CA 3.49Å; G103-G106 PolarHBondContact O-N 3.45Å; S104-G106 PolarHBondContact O-N 2.85Å; G106-R168 PolarHBondContact O-NE 2.88Å; G106-R168 PolarHBondContact O-NH2 2.86Å
107R96.1Very high97Very high166 Ų16643.6 Ų43.663%0.62622%0.219SC*.  trans-75.8147.4179.2-68.5-170.5-68.7174-4111.5V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.47Å; G103-R107 PolarHBondContact N-O 3.25Å; D105-R107 PolarHBondContact O-N 3.4Å; D105-R107 WeakPolarHBondContact OD1-CB 3.44Å; D105-R107 PolarHBondContact OD1-N 3.25Å; D105-R107 IonicContact OD1-NE 3.87Å; D105-R107 IonicContact OD2-CZ 2.72Å; D105-R107 IonicContact OD2-NE 3.85Å; D105-R107 PolarHBondContact OD2-NE 3.2Å; D105-R107 IonicContact OD2-NH2 2.69Å; D105-R107 PolarHBondContact OD2-NH2 3.21Å; R107-L109 PolarHBondContact O-N 2.82Å
108F98.1Very high97Very high59 Ų5945.5 Ų45.526%0.25923%0.229SC..EExtended strand (participates in β ladder)trans-55.5130.9175.3-180-100.4000111.1C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.17Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.27Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å; F108-L129 HydrophobicContact CE1-CD1 3.87Å; F108-L129 HydrophobicContact CZ-CD1 3.61Å; F108-L159 HydrophobicContact CE2-CB 4.49Å; F108-L159 WeakPolarHBondContact CE2-O 3.4Å; F108-E160 HydrophobicContact CD1-CG 4.14Å; F108-E160 HydrophobicContact CD2-CG 4.47Å; F108-E160 HydrophobicContact CE1-CG 4.01Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; F108-V164 HydrophobicContact CB-CG2 4.04Å; F108-V164 HydrophobicContact CD2-CG2 3.62Å; F108-V164 HydrophobicContact CG-CG2 4.31Å
109L97.6Very high96.9Very high107 Ų10746.4 Ų46.456%0.5625%0.25SC*.EExtended strand (participates in β ladder)trans-111.5-47.8174.4-66.4-179000111.7D101 R107D101-L109 HydrophobicContact CB-CB 4.35Å; D101-L109 PolarHBondContact O-N 3.43Å; R107-L109 PolarHBondContact O-N 2.82Å
110R97.8Very high96.9Very high92 Ų9254 Ų5435%0.34728%0.283SS..EExtended strand (participates in β ladder)trans-156.1148.2-172.1-171.9162.5171.5139.48.1111.5C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.41Å; C100-R110 VanDerWaalsContact CA-O 3.32Å; C100-R110 WeakPolarHBondContact CA-O 3.24Å; D101-R110 HydrophobicContact CB-CB 4.3Å; D101-R110 PolarHBondContact N-O 2.84Å; D101-R110 PolarHBondContact O-N 2.91Å; F108-R110 VanDerWaalsContact CE2-C 3.44Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.27Å; R110-Y112 HydrophobicContact CB-CE2 4.19Å; R110-Y112 WeakPolarHBondContact CD-OH 3.14Å; R110-Y112 HydrophobicContact CG-CE1 4.15Å; R110-Y112 HydrophobicContact CG-CE2 3.79Å; R110-Y112 VanDerWaalsContact NE-CE1 3.25Å; R110-Y112 PolarHBondContact NE-OH 2.91Å; R110-E127 VanDerWaalsContact CZ-CD 3.5Å; R110-E127 IonicContact CZ-OE1 3.56Å; R110-E127 IonicContact NH1-OE1 3.81Å; R110-E127 PolarHBondContact NH1-OE1 2.94Å; R110-E127 IonicContact NH1-OE2 3.75Å; R110-E127 VanDerWaalsContact NH2-CG 3.35Å; R110-E127 IonicContact NH2-OE1 3.82Å; R110-E127 PolarHBondContact NH2-OE1 2.93Å
111G98.1Very high96.9Very high5 Ų560 Ų605%0.05232%0.315CS..EExtended strand (participates in β ladder)trans-125.3150.1175.400000110.4G99 F108G99-G111 CarbonylContact O-C 3.54Å; G99-G111 WeakPolarHBondContact O-CA 3.18Å; F108-G111 VanDerWaalsContact CZ-N 3.27Å
112Y98.4Very high97Very high42 Ų4259.7 Ų59.717%0.16531%0.312CS..EExtended strand (participates in β ladder)trans-132.4139.8-179.4-51.8-97.8000109.1R5 M97 F98 G99 D101 R110R5-Y112 VanDerWaalsContact CZ-CE2 3.41Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.29Å; R5-Y112 PolarHBondContact NH2-OH 2.88Å; M97-Y112 HydrophobicContact CE-CD1 4.09Å; M97-Y112 HydrophobicContact CE-CG 4.05Å; M97-Y112 HydrophobicContact SD-CG 4.33Å; F98-Y112 CarbonylContact C-O 3.58Å; F98-Y112 WeakPolarHBondContact CA-O 3.3Å; F98-Y112 WeakPolarHBondContact CB-O 3.33Å; G99-Y112 PolarHBondContact N-O 2.86Å; G99-Y112 WeakPolarHBondContact O-CD2 3.32Å; G99-Y112 PolarHBondContact O-N 3.02Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.42Å; D101-Y112 PolarHBondContact OD2-OH 3.39Å; R110-Y112 HydrophobicContact CB-CE2 4.19Å; R110-Y112 WeakPolarHBondContact CD-OH 3.14Å; R110-Y112 HydrophobicContact CG-CE1 4.15Å; R110-Y112 HydrophobicContact CG-CE2 3.79Å; R110-Y112 VanDerWaalsContact NE-CE1 3.25Å; R110-Y112 PolarHBondContact NE-OH 2.91Å
113H98.4Very high97Very high7 Ų759.9 Ų59.93%0.03231%0.313CS..EExtended strand (participates in β ladder)trans-157.2102.6168.9-179.6-85.7000108.1M97 F98 Y115 L125 W132 W146 Q155 L159M97-H113 WeakPolarHBondContact O-CA 3.46Å; F98-H113 HydrophobicContact CB-CB 4.32Å; H113-Y115 AromaticContact CE1-CE2 3.52Å; H113-Y115 AromaticContact NE2-CE2 3.96Å; H113-L125 HydrophobicContact CB-CB 4.07Å; H113-L125 HydrophobicContact CB-CD2 4.2Å; H113-L125 WeakPolarHBondContact O-CB 3.21Å; H113-L125 PolarHBondContact O-N 3.2Å; H113-W132 AromaticContact CE1-CH2 3.88Å; H113-W132 AromaticContact ND1-CH2 3.4Å; H113-W132 WeakPolarHBondContact ND1-CH2 3.45Å; H113-W132 AromaticContact ND1-CZ3 3.52Å; H113-W146 AromaticContact CE1-CH2 3.9Å; H113-W146 AromaticContact CE1-CZ3 3.95Å; H113-Q155 PolarHBondContact CD2-OE1 2.84Å; H113-Q155 VanDerWaalsContact CD2-OE1 3.24Å; H113-L159 HydrophobicContact CB-CD1 4.5Å
114Q98.5Very high97.2Very high75 Ų7560.9 Ų60.935%0.3532%0.32SS..EExtended strand (participates in β ladder)trans-141.9147.1-17161.9-170.257.400111.7M96 M97 I123 A124M96-Q114 CarbonylContact C-O 3.59Å; M96-Q114 VanDerWaalsContact CA-O 3.29Å; M96-Q114 WeakPolarHBondContact CA-O 3.36Å; M97-Q114 HydrophobicContact CB-CG 4.08Å; M97-Q114 VanDerWaalsContact CE-CD 3.49Å; M97-Q114 HydrophobicContact CE-CG 4.02Å; M97-Q114 PolarHBondContact N-O 2.9Å; M97-Q114 PolarHBondContact O-N 3.36Å; Q114-I123 CarbonylContact C-O 3.56Å; Q114-I123 WeakPolarHBondContact CA-O 3.04Å; Q114-A124 HydrophobicContact CB-CB 3.84Å
115Y98.6Very high97.5Very high22 Ų2256 Ų569%0.08629%0.285CS..EExtended strand (participates in β ladder)trans-121.8147.1176.7-75.4-103.1000111.1L94 Q95 M96 H113 Y122 I123 W146L94-Y115 HydrophobicContact CD1-CD1 3.94Å; L94-Y115 HydrophobicContact CD2-CD1 4.42Å; L94-Y115 HydrophobicContact CD2-CE1 4.35Å; L94-Y115 HydrophobicContact CG-CD1 4.18Å; Q95-Y115 CarbonylContact O-C 3.59Å; Q95-Y115 WeakPolarHBondContact O-CA 3.3Å; M96-Y115 HydrophobicContact CB-CD1 3.95Å; M96-Y115 HydrophobicContact CB-CE1 3.96Å; M96-Y115 HydrophobicContact CB-CG 4.38Å; M96-Y115 HydrophobicContact CE-CE1 3.78Å; M96-Y115 HydrophobicContact CE-CE2 3.49Å; M96-Y115 VanDerWaalsContact CE-CE2 3.49Å; M96-Y115 WeakPolarHBondContact CE-OH 3.43Å; M96-Y115 HydrophobicContact CG-CD1 4.42Å; M96-Y115 HydrophobicContact CG-CD2 4.34Å; M96-Y115 HydrophobicContact CG-CE1 4.24Å; M96-Y115 HydrophobicContact CG-CE2 4.1Å; H113-Y115 AromaticContact CE1-CE2 3.52Å; H113-Y115 AromaticContact NE2-CE2 3.96Å; Y115-Y122 WeakPolarHBondContact O-CB 3.28Å; Y115-Y122 PolarHBondContact O-N 3.1Å; Y115-I123 HydrophobicContact CD2-CG2 4.32Å; Y115-I123 PolarHBondContact N-O 2.84Å; Y115-I123 PolarHBondContact O-N 3.23Å; Y115-W146 AromaticContact CD2-CH2 3.89Å; Y115-W146 HydrophobicContact CD2-CH2 3.89Å; Y115-W146 AromaticContact CE2-CH2 3.51Å; Y115-W146 HydrophobicContact CE2-CH2 3.51Å; Y115-W146 HydrophobicContact CE2-CZ2 4.31Å; Y115-W146 HydrophobicContact CE2-CZ3 4.44Å
116A98.8Very high97.9Very high16 Ų1656.1 Ų56.113%0.13228%0.282CS..EExtended strand (participates in β ladder)trans-125.9145.7168.400000110.1Q95 K120Q95-A116 HydrophobicContact CB-CB 4.34Å; Q95-A116 PolarHBondContact N-O 3.12Å; Q95-A116 PolarHBondContact O-N 3.44Å; A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.44Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.43Å
117Y98.6Very high98.2Very high11 Ų1162 Ų624%0.04331%0.305CS..EExtended strand (participates in β ladder)trans-125.7128.1177.2-175.4-116.6000109.7L77 A80 Y84 Q86 H92 T93 L94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.09Å; A80-Y117 HydrophobicContact CB-CD1 4.32Å; A80-Y117 HydrophobicContact CB-CD2 3.98Å; A80-Y117 HydrophobicContact CB-CE1 3.99Å; A80-Y117 HydrophobicContact CB-CE2 3.64Å; A80-Y117 HydrophobicContact CB-CG 4.31Å; Y84-Y117 AromaticContact CD2-CD1 3.75Å; Y84-Y117 HydrophobicContact CD2-CD1 3.75Å; Y84-Y117 AromaticContact CD2-CE1 3.54Å; Y84-Y117 HydrophobicContact CD2-CE1 3.54Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.46Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 2.94Å; H92-Y117 HydrophobicContact CB-CE2 3.9Å; H92-Y117 WeakPolarHBondContact CB-OH 3.32Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.85Å; H92-Y117 PolarHBondContact ND1-OH 3.29Å; T93-Y117 CarbonylContact O-C 3.59Å; T93-Y117 WeakPolarHBondContact O-CA 3.11Å; T93-Y117 WeakPolarHBondContact O-CD2 3.4Å; L94-Y117 HydrophobicContact CD1-CD2 4.31Å; Y117-G119 PolarHBondContact O-N 2.96Å; Y117-K120 PolarHBondContact N-O 2.84Å; Y117-K120 PolarHBondContact O-N 3.44Å
118D98.1Very high98.2Very high61 Ų6157.8 Ų57.833%0.32630%0.295SS..THydrogen-bonded Turntrans49.341.1-174.4-66.1-21.9000113.4Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.9Å; H92-D118 WeakPolarHBondContact CA-OD1 3.34Å; H92-D118 WeakPolarHBondContact CB-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 3.51Å; H92-D118 IonicContact CG-OD1 2.73Å; H92-D118 IonicContact CG-OD2 3.94Å; H92-D118 IonicContact ND1-OD1 3.7Å; H92-D118 PolarHBondContact ND1-OD1 3.15Å; H92-D118 IonicContact ND1-OD2 2.76Å; H92-D118 PolarHBondContact ND1-OD2 3.22Å; T93-D118 PolarHBondContact N-OD1 3.01Å; T93-D118 PolarHBondContact O-N 3.18Å; D118-K120 VanDerWaalsContact C-N 3.28Å; D118-K120 PolarHBondContact O-N 3.17Å
119G97.3Very high98.2Very high59 Ų5955.2 Ų55.261%0.60828%0.284SS*.THydrogen-bonded Turntrans75.88.6178.400000115.1Y117Y117-G119 PolarHBondContact O-N 2.96Å
120K98.4Very high98.2Very high161 Ų16158.3 Ų58.370%0.729%0.288SS*.EExtended strand (participates in β ladder)trans-115.3145.2176.5-61.4179.6-176.2176.60110.5A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.55Å; A116-K120 WeakPolarHBondContact CA-O 3.44Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 3.43Å; Y117-K120 PolarHBondContact N-O 2.84Å; Y117-K120 PolarHBondContact O-N 3.44Å; D118-K120 VanDerWaalsContact C-N 3.28Å; D118-K120 PolarHBondContact O-N 3.17Å; K120-Y122 PolarHBondContact O-N 3.29Å
121D98.6Very high98.2Very high126 Ų12655.1 Ų55.167%0.67428%0.28SS*.EExtended strand (participates in β ladder)trans-52.2136.9173.3-69-24.7000110.7A135D121-A135 HydrophobicContact CB-CB 4.21Å; D121-A135 WeakPolarHBondContact O-CB 3.43Å
122Y98.6Very high98.2Very high18 Ų1855 Ų557%0.07128%0.278CS..EExtended strand (participates in β ladder)trans-114.1-64.8178.8-179.1-109.2000110.5Y84 Y115 K120 A135 A139 T142Y84-Y122 HydrophobicContact CE2-CD2 4.27Å; Y84-Y122 AromaticContact CE2-CE2 3.93Å; Y84-Y122 HydrophobicContact CE2-CE2 3.93Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.38Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.33Å; Y115-Y122 WeakPolarHBondContact O-CB 3.28Å; Y115-Y122 PolarHBondContact O-N 3.1Å; K120-Y122 PolarHBondContact O-N 3.29Å; Y122-A135 WeakPolarHBondContact O-CB 3.32Å; Y122-A135 PolarHBondContact O-N 3.19Å; Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 HydrophobicContact CE2-CB 3.71Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.43Å; Y122-T142 HydrophobicContact CE1-CG2 4.22Å; Y122-T142 PolarHBondContact OH-OG1 3.49Å
123I98.7Very high98.2Very high4 Ų456.5 Ų56.52%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-148.5139.9178.7-162.1174.4000110.5Q114 Y115 W132 T133 T142 K143 W146Q114-I123 CarbonylContact C-O 3.56Å; Q114-I123 WeakPolarHBondContact CA-O 3.04Å; Y115-I123 HydrophobicContact CD2-CG2 4.32Å; Y115-I123 PolarHBondContact N-O 2.84Å; Y115-I123 PolarHBondContact O-N 3.23Å; I123-W132 HydrophobicContact CD1-CB 4.17Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.19Å; I123-W132 HydrophobicContact CD1-CG 4.38Å; I123-W132 HydrophobicContact CG1-CB 4.27Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.4Å; I123-T133 WeakPolarHBondContact CG1-O 3.23Å; I123-T142 HydrophobicContact CD1-CG2 3.98Å; I123-K143 HydrophobicContact CD1-CB 3.91Å; I123-W146 HydrophobicContact CD1-CE3 4.03Å; I123-W146 HydrophobicContact CD1-CZ3 4.28Å; I123-W146 HydrophobicContact CG2-CH2 4.09Å; I123-W146 HydrophobicContact CG2-CZ3 3.82Å
124A98.7Very high98.2Very high30 Ų3057 Ų5725%0.24830%0.297CS..EExtended strand (participates in β ladder)trans-135.5137.1179.600000111.5Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.84Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; A124-T133 PolarHBondContact N-O 2.79Å; A124-T133 PolarHBondContact O-N 2.98Å
125L98.8Very high98.2Very high16 Ų1656.2 Ų56.28%0.08430%0.304CS..EExtended strand (participates in β ladder)trans-69.1130.7168.7-173.163.6000108.5H113 L129 W132 A152 Q155 L159H113-L125 HydrophobicContact CB-CB 4.07Å; H113-L125 HydrophobicContact CB-CD2 4.2Å; H113-L125 WeakPolarHBondContact O-CB 3.21Å; H113-L125 PolarHBondContact O-N 3.2Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.73Å; L125-L129 HydrophobicContact CG-CD2 4.24Å; L125-W132 HydrophobicContact CB-CE3 3.98Å; L125-W132 HydrophobicContact CB-CH2 4.02Å; L125-W132 HydrophobicContact CB-CZ3 3.6Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.24Å; L125-W132 HydrophobicContact CD1-CH2 4Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CH2 4.46Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; L125-A152 HydrophobicContact CD1-CB 4.01Å; L125-Q155 HydrophobicContact CD2-CB 4.1Å; L125-L159 HydrophobicContact CD2-CD1 3.9Å
126K98.4Very high98.2Very high87 Ų8758 Ų5838%0.37831%0.314SS..  trans-74.3165.8177.9-64.6-162.9-156162.40111.4D128 L129 S131 T133K126-D128 PolarHBondContact O-N 3.18Å; K126-D128 VanDerWaalsContact O-N 3.11Å; K126-L129 PolarHBondContact O-N 3.32Å; K126-S131 WeakPolarHBondContact CB-O 3.48Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.3Å; K126-S131 WeakPolarHBondContact CE-OG 3.38Å; K126-S131 WeakPolarHBondContact CG-O 3.36Å; K126-S131 PolarHBondContact N-O 2.77Å; K126-S131 PolarHBondContact NZ-OG 3.06Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.43Å; K126-T133 WeakPolarHBondContact CG-OG1 3.11Å
127E97.4Very high98.2Very high138 Ų13864.2 Ų64.265%0.64534%0.342SS*.THydrogen-bonded Turntrans-57.9-24.1177.2-64-179.7-171.100113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.5Å; R110-E127 IonicContact CZ-OE1 3.56Å; R110-E127 IonicContact NH1-OE1 3.81Å; R110-E127 PolarHBondContact NH1-OE1 2.94Å; R110-E127 IonicContact NH1-OE2 3.75Å; R110-E127 VanDerWaalsContact NH2-CG 3.35Å; R110-E127 IonicContact NH2-OE1 3.82Å; R110-E127 PolarHBondContact NH2-OE1 2.93Å; E127-L129 PolarHBondContact O-N 3.2Å
128D97.3Very high98.1Very high78 Ų7864 Ų6442%0.41734%0.344SS..THydrogen-bonded Turntrans-70.8-10.2174.767.114.2000113.9K126 R130 S131K126-D128 PolarHBondContact O-N 3.18Å; K126-D128 VanDerWaalsContact O-N 3.11Å; D128-R130 WeakPolarHBondContact O-CG 3.48Å; D128-R130 PolarHBondContact O-N 2.7Å; D128-R130 VanDerWaalsContact O-N 3.12Å; D128-R130 PolarHBondContact OD1-N 3.05Å; D128-S131 PolarHBondContact OD1-N 3.06Å; D128-S131 PolarHBondContact OD1-OG 3.31Å; D128-S131 PolarHBondContact OD2-OG 2.94Å
129L97.9Very high98.1Very high5 Ų561.1 Ų61.13%0.02633%0.328CS..SBendtrans52.525.6-174.7-52.1178000114.2F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 3.87Å; F108-L129 HydrophobicContact CZ-CD1 3.61Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 HydrophobicContact CD2-CD2 3.73Å; L125-L129 HydrophobicContact CG-CD2 4.24Å; K126-L129 PolarHBondContact O-N 3.32Å; E127-L129 PolarHBondContact O-N 3.2Å; L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.88Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; L129-L159 HydrophobicContact CD2-CD1 4.13Å; L129-E160 HydrophobicContact CD1-CG 4.01Å
130R97.4Very high98.2Very high172 Ų17261 Ų6165%0.64931%0.312SS*.SBendtrans-129.6-28.9-175.5-70.7172.8-170.8-153.42.2112.3D128D128-R130 WeakPolarHBondContact O-CG 3.48Å; D128-R130 PolarHBondContact O-N 2.7Å; D128-R130 VanDerWaalsContact O-N 3.12Å; D128-R130 PolarHBondContact OD1-N 3.05Å
131S97.4Very high98.1Very high25 Ų2556.4 Ų56.418%0.17529%0.294CS..  trans-123.5158.6-175.972.60000112.6K126 D128K126-S131 WeakPolarHBondContact CB-O 3.48Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.3Å; K126-S131 WeakPolarHBondContact CE-OG 3.38Å; K126-S131 WeakPolarHBondContact CG-O 3.36Å; K126-S131 PolarHBondContact N-O 2.77Å; K126-S131 PolarHBondContact NZ-OG 3.06Å; D128-S131 PolarHBondContact OD1-N 3.06Å; D128-S131 PolarHBondContact OD1-OG 3.31Å; D128-S131 PolarHBondContact OD2-OG 2.94Å
132W98.6Very high98.1Very high1 Ų151.1 Ų51.10%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-113.3141.8-176.9-60.192.1000111.9H113 I123 A124 L125 K143 W146 V151 A152 Q155H113-W132 AromaticContact CE1-CH2 3.88Å; H113-W132 AromaticContact ND1-CH2 3.4Å; H113-W132 WeakPolarHBondContact ND1-CH2 3.45Å; H113-W132 AromaticContact ND1-CZ3 3.52Å; I123-W132 HydrophobicContact CD1-CB 4.17Å; I123-W132 HydrophobicContact CD1-CD2 4.37Å; I123-W132 HydrophobicContact CD1-CE3 4.19Å; I123-W132 HydrophobicContact CD1-CG 4.38Å; I123-W132 HydrophobicContact CG1-CB 4.27Å; I123-W132 HydrophobicContact CG1-CE3 4.06Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; L125-W132 HydrophobicContact CB-CE3 3.98Å; L125-W132 HydrophobicContact CB-CH2 4.02Å; L125-W132 HydrophobicContact CB-CZ3 3.6Å; L125-W132 HydrophobicContact CD1-CD2 4.11Å; L125-W132 HydrophobicContact CD1-CE3 4.24Å; L125-W132 HydrophobicContact CD1-CH2 4Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CH2 4.46Å; L125-W132 HydrophobicContact CG-CZ3 4.44Å; W132-K143 HydrophobicContact CB-CD 4.25Å; W132-K143 HydrophobicContact CB-CG 4.11Å; W132-K143 WeakPolarHBondContact O-CE 3.45Å; W132-K143 PolarHBondContact O-NZ 2.86Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.69Å; W132-W146 AromaticContact CE3-CE3 3.79Å; W132-W146 HydrophobicContact CE3-CE3 3.79Å; W132-W146 AromaticContact CE3-CZ3 3.83Å; W132-W146 HydrophobicContact CE3-CZ3 3.83Å; W132-W146 AromaticContact CH2-CE3 3.43Å; W132-W146 HydrophobicContact CH2-CE3 3.43Å; W132-W146 VanDerWaalsContact CH2-CE3 3.43Å; W132-W146 AromaticContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CZ2-CD2 4.45Å; 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 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 4.02Å; W132-A152 HydrophobicContact CZ2-CB 4.29Å; W132-Q155 HydrophobicContact CH2-CG 4.32Å
133T98.6Very high98.1Very high75 Ų7552.1 Ų52.146%0.4627%0.271SS..EExtended strand (participates in β ladder)trans-100.5121.2165.3-60.70000108.2I123 A124 K126I123-T133 CarbonylContact C-O 3.59Å; I123-T133 WeakPolarHBondContact CA-O 3.4Å; I123-T133 WeakPolarHBondContact CG1-O 3.23Å; A124-T133 PolarHBondContact N-O 2.79Å; A124-T133 PolarHBondContact O-N 2.98Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.43Å; K126-T133 WeakPolarHBondContact CG-OG1 3.11Å
134A98.6Very high98.1Very high16 Ų1659.7 Ų59.713%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-104.7134174.600000108.9A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.73Å; A134-Q140 HydrophobicContact CB-CG 4.34Å; A134-K143 HydrophobicContact CB-CB 4.23Å; A134-K143 HydrophobicContact CB-CD 4.16Å
135A98.3Very high98.1Very high60 Ų6064 Ų6450%0.49631%0.312SS..SBendtrans-76.8-31-173.400000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.21Å; D121-A135 WeakPolarHBondContact O-CB 3.43Å; Y122-A135 WeakPolarHBondContact O-CB 3.32Å; Y122-A135 PolarHBondContact O-N 3.19Å
136D98Very high98Very high58 Ų5865.7 Ų65.731%0.3132%0.318SS..SBendtrans-149.6-175.7-178.666.730000112.9Y84 A138 A139 Q140Y84-D136 WeakPolarHBondContact CE1-OD2 3.08Å; Y84-D136 VanDerWaalsContact CZ-OD2 3.31Å; Y84-D136 VanDerWaalsContact OH-CG 3.22Å; Y84-D136 PolarHBondContact OH-OD1 3.42Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 3.04Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.81Å; D136-A138 WeakPolarHBondContact OD1-CA 2.93Å; D136-A138 WeakPolarHBondContact OD1-CB 3.24Å; D136-A138 PolarHBondContact OD1-N 3.4Å; D136-A139 PolarHBondContact O-N 3.41Å; D136-A139 PolarHBondContact OD1-N 2.8Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.46Å
137M97.6Very high98Very high147 Ų14765.6 Ų65.672%0.72432%0.319SS*.Hα-helixtrans-65.1-29.8-178.5-69.2-58.2-63.100114.2Q140M137-Q140 WeakPolarHBondContact O-CB 3.2Å
138A97.4Very high98.1Very high8 Ų863 Ų637%0.06632%0.32CS..Hα-helixtrans-71.1-45.2175.300000109.9Y84 D136 Q140 I141Y84-A138 HydrophobicContact CD1-CB 4.03Å; Y84-A138 HydrophobicContact CD2-CB 4.3Å; Y84-A138 HydrophobicContact CE1-CB 3.55Å; Y84-A138 HydrophobicContact CE2-CB 3.84Å; Y84-A138 HydrophobicContact CG-CB 4.39Å; Y84-A138 VanDerWaalsContact CZ-CB 3.44Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.81Å; D136-A138 WeakPolarHBondContact OD1-CA 2.93Å; D136-A138 WeakPolarHBondContact OD1-CB 3.24Å; D136-A138 PolarHBondContact OD1-N 3.4Å; A138-Q140 PolarHBondContact O-N 2.91Å; A138-I141 VanDerWaalsContact O-CB 3.29Å; A138-I141 WeakPolarHBondContact O-CB 3.29Å; A138-I141 PolarHBondContact O-N 2.85Å
139A98.1Very high98.1Very high0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-61.6-29.2175.200000113.3Y122 A134 D136 I141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 HydrophobicContact CE1-CB 4.47Å; Y122-A139 HydrophobicContact CE2-CB 3.71Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.43Å; A134-A139 HydrophobicContact CB-CB 3.73Å; D136-A139 PolarHBondContact O-N 3.41Å; D136-A139 PolarHBondContact OD1-N 2.8Å; A139-I141 PolarHBondContact O-N 2.8Å; A139-T142 PolarHBondContact O-N 2.85Å; A139-T142 VanDerWaalsContact O-N 3.16Å; A139-K143 PolarHBondContact O-N 2.74Å
140Q98.5Very high98.1Very high57 Ų5767 Ų6727%0.26635%0.346SS..Hα-helixtrans-59.1-30.7172.5-68.7-65.5-22.400112.5A134 D136 M137 A138 K143 R144A134-Q140 HydrophobicContact CB-CG 4.34Å; D136-Q140 WeakPolarHBondContact O-CG 3.37Å; D136-Q140 PolarHBondContact O-N 3.46Å; M137-Q140 WeakPolarHBondContact O-CB 3.2Å; A138-Q140 PolarHBondContact O-N 2.91Å; Q140-K143 PolarHBondContact O-N 2.83Å; Q140-R144 WeakPolarHBondContact O-CG 3.38Å; Q140-R144 PolarHBondContact O-N 3.24Å; Q140-R144 VanDerWaalsContact O-N 3.09Å
141I98.1Very high98.1Very high64 Ų6459.7 Ų59.733%0.32832%0.321SS..Hα-helixtrans-67-46.5176.5-54.7172.4000109.8Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 4.1Å; Y83-I141 HydrophobicContact CD2-CB 4.42Å; Y83-I141 HydrophobicContact CD2-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.32Å; Y83-I141 HydrophobicContact CE1-CG2 3.96Å; Y83-I141 HydrophobicContact CE2-CB 3.98Å; Y83-I141 HydrophobicContact CE2-CG2 3.95Å; Y83-I141 HydrophobicContact CG-CD1 4.18Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.24Å; A138-I141 VanDerWaalsContact O-CB 3.29Å; A138-I141 WeakPolarHBondContact O-CB 3.29Å; A138-I141 PolarHBondContact O-N 2.85Å; A139-I141 PolarHBondContact O-N 2.8Å; I141-K145 WeakPolarHBondContact O-CG 3.41Å; I141-K145 PolarHBondContact O-N 3.04Å
142T98Very high98.1Very high15 Ų1558.9 Ų58.99%0.09232%0.315CS..Hα-helixtrans-61.7-45.9174.6-68.70000111.1Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.22Å; Y122-T142 PolarHBondContact OH-OG1 3.49Å; I123-T142 HydrophobicContact CD1-CG2 3.98Å; A139-T142 PolarHBondContact O-N 2.85Å; A139-T142 VanDerWaalsContact O-N 3.16Å; T142-R144 PolarHBondContact O-N 2.83Å; T142-K145 WeakPolarHBondContact O-CB 3.34Å; T142-K145 PolarHBondContact O-N 2.92Å; T142-K145 VanDerWaalsContact O-N 3.12Å; T142-W146 HydrophobicContact CG2-CD2 3.82Å; T142-W146 HydrophobicContact CG2-CE3 4.34Å; T142-W146 HydrophobicContact CG2-CG 4.12Å; T142-W146 HydrophobicContact CG2-CH2 4.49Å; T142-W146 HydrophobicContact CG2-CZ2 4.02Å; T142-W146 PolarHBondContact O-N 2.76Å
143K98.6Very high98.1Very high39 Ų3964.8 Ų64.817%0.1734%0.343CS..Hα-helixtrans-52.1-52.2178173.2171.6176.8173.80112I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.91Å; W132-K143 HydrophobicContact CB-CD 4.25Å; W132-K143 HydrophobicContact CB-CG 4.11Å; W132-K143 WeakPolarHBondContact O-CE 3.45Å; W132-K143 PolarHBondContact O-NZ 2.86Å; A134-K143 HydrophobicContact CB-CB 4.23Å; A134-K143 HydrophobicContact CB-CD 4.16Å; A139-K143 PolarHBondContact O-N 2.74Å; Q140-K143 PolarHBondContact O-N 2.83Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.02Å; K143-W146 PolarHBondContact O-N 2.87Å; K143-E147 WeakPolarHBondContact CE-OE1 3.33Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 IonicContact NZ-OE1 3.87Å; K143-E147 WeakPolarHBondContact O-CB 3.35Å; K143-E147 WeakPolarHBondContact O-CG 3.46Å; K143-E147 PolarHBondContact O-N 2.86Å
144R98.5Very high98Very high163 Ų16367.4 Ų67.462%0.61535%0.35SS*.Hα-helixtrans-59.9-40.5179.4-69.2171.2-169.2167.43.5112.4Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.38Å; Q140-R144 PolarHBondContact O-N 3.24Å; Q140-R144 VanDerWaalsContact O-N 3.09Å; T142-R144 PolarHBondContact O-N 2.83Å; R144-A148 WeakPolarHBondContact O-CB 3.18Å; R144-A148 PolarHBondContact O-N 3.47Å
145K97.9Very high97.9Very high120 Ų12068.6 Ų68.652%0.52235%0.353SS..Hα-helixtrans-64.6-44177-72.8179.7174.3-175.80111.6Y83 I141 T142 K143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.99Å; I141-K145 WeakPolarHBondContact O-CG 3.41Å; I141-K145 PolarHBondContact O-N 3.04Å; T142-K145 WeakPolarHBondContact O-CB 3.34Å; T142-K145 PolarHBondContact O-N 2.92Å; T142-K145 VanDerWaalsContact O-N 3.12Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 3.02Å; K145-A148 PolarHBondContact O-N 3Å; K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 2.86Å; K145-A149 PolarHBondContact O-N 2.96Å
146W98.1Very high97.9Very high51 Ų5169.4 Ų69.419%0.19334%0.343CS..Hα-helixtrans-70.9-36-179.4-7710.8000113H113 Y115 I123 W132 T142 K143 A149 H150 V151H113-W146 AromaticContact CE1-CH2 3.9Å; H113-W146 AromaticContact CE1-CZ3 3.95Å; Y115-W146 AromaticContact CD2-CH2 3.89Å; Y115-W146 HydrophobicContact CD2-CH2 3.89Å; Y115-W146 AromaticContact CE2-CH2 3.51Å; Y115-W146 HydrophobicContact CE2-CH2 3.51Å; Y115-W146 HydrophobicContact CE2-CZ2 4.31Å; Y115-W146 HydrophobicContact CE2-CZ3 4.44Å; I123-W146 HydrophobicContact CD1-CE3 4.03Å; I123-W146 HydrophobicContact CD1-CZ3 4.28Å; I123-W146 HydrophobicContact CG2-CH2 4.09Å; I123-W146 HydrophobicContact CG2-CZ3 3.82Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.38Å; W132-W146 AromaticContact CE2-CE3 3.69Å; W132-W146 AromaticContact CE3-CE3 3.79Å; W132-W146 HydrophobicContact CE3-CE3 3.79Å; W132-W146 AromaticContact CE3-CZ3 3.83Å; W132-W146 HydrophobicContact CE3-CZ3 3.83Å; W132-W146 AromaticContact CH2-CE3 3.43Å; W132-W146 HydrophobicContact CH2-CE3 3.43Å; W132-W146 VanDerWaalsContact CH2-CE3 3.43Å; W132-W146 AromaticContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CH2-CZ3 3.37Å; W132-W146 HydrophobicContact CZ2-CD2 4.45Å; 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 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; T142-W146 HydrophobicContact CG2-CD2 3.82Å; T142-W146 HydrophobicContact CG2-CE3 4.34Å; T142-W146 HydrophobicContact CG2-CG 4.12Å; T142-W146 HydrophobicContact CG2-CH2 4.49Å; T142-W146 HydrophobicContact CG2-CZ2 4.02Å; T142-W146 PolarHBondContact O-N 2.76Å; K143-W146 PolarHBondContact O-N 2.87Å; W146-A149 CarbonylContact O-C 3.55Å; W146-A149 PolarHBondContact O-N 2.73Å; W146-H150 PolarHBondContact O-N 3.01Å; W146-V151 HydrophobicContact CB-CB 3.97Å; W146-V151 HydrophobicContact CB-CG2 3.91Å; W146-V151 HydrophobicContact CD2-CB 4.43Å; W146-V151 HydrophobicContact CD2-CG1 4.18Å; W146-V151 HydrophobicContact CE3-CG1 4.37Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3.05Å
147E98.3Very high98Very high86 Ų8669.8 Ų69.840%0.40235%0.354SS..Hα-helixtrans-64.6-46.8172.1-73.3174160.200110.9K143 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.33Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 IonicContact NZ-OE1 3.87Å; K143-E147 WeakPolarHBondContact O-CB 3.35Å; K143-E147 WeakPolarHBondContact O-CG 3.46Å; K143-E147 PolarHBondContact O-N 2.86Å; E147-A149 PolarHBondContact O-N 2.9Å; E147-H150 PolarHBondContact O-N 3.42Å; E147-H150 VanDerWaalsContact O-N 3.14Å
148A98.2Very high98Very high82 Ų8265.9 Ų65.968%0.67833%0.332SS*.Hα-helixtrans-63.7-29.8176.900000113.4R144 K145R144-A148 WeakPolarHBondContact O-CB 3.18Å; R144-A148 PolarHBondContact O-N 3.47Å; K145-A148 PolarHBondContact O-N 3Å
149A97.9Very high98Very high58 Ų5865.5 Ų65.548%0.47933%0.329SS..THydrogen-bonded Turntrans-93.66.7177.800000113.7K145 W146 E147 V151K145-A149 VanDerWaalsContact O-CB 3.31Å; K145-A149 WeakPolarHBondContact O-CB 2.86Å; K145-A149 PolarHBondContact O-N 2.96Å; W146-A149 CarbonylContact O-C 3.55Å; W146-A149 PolarHBondContact O-N 2.73Å; E147-A149 PolarHBondContact O-N 2.9Å; A149-V151 HydrophobicContact CB-CG2 4.03Å; A149-V151 PolarHBondContact O-N 3.28Å; A149-V151 VanDerWaalsContact O-N 3.16Å
150H97.3Very high98Very high109 Ų10969.1 Ų69.151%0.50535%0.346SS..THydrogen-bonded Turntrans53.733.4179.7-63.3-93.2000114.2W146 E147 A152 E153W146-H150 PolarHBondContact O-N 3.01Å; E147-H150 PolarHBondContact O-N 3.42Å; E147-H150 VanDerWaalsContact O-N 3.14Å; H150-A152 PolarHBondContact O-N 3.49Å; H150-E153 HydrophobicContact CB-CG 4.43Å; H150-E153 IonicContact CE1-OE1 3.86Å; H150-E153 IonicContact CG-OE1 3.68Å; H150-E153 IonicContact ND1-OE1 2.87Å; H150-E153 PolarHBondContact ND1-OE1 3.27Å; H150-E153 WeakPolarHBondContact O-CB 3.44Å; H150-E153 PolarHBondContact O-N 2.99Å
151V98Very high98Very high19 Ų1967.4 Ų67.412%0.11534%0.344CS..Hα-helixtrans-60.4-32.6-175.8177.70000111.7W132 W146 A149 E153 Q154 Q155W132-V151 HydrophobicContact CZ2-CB 4.33Å; W132-V151 HydrophobicContact CZ2-CG1 4.02Å; W146-V151 HydrophobicContact CB-CB 3.97Å; W146-V151 HydrophobicContact CB-CG2 3.91Å; W146-V151 HydrophobicContact CD2-CB 4.43Å; W146-V151 HydrophobicContact CD2-CG1 4.18Å; W146-V151 HydrophobicContact CE3-CG1 4.37Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3.05Å; A149-V151 HydrophobicContact CB-CG2 4.03Å; A149-V151 PolarHBondContact O-N 3.28Å; A149-V151 VanDerWaalsContact O-N 3.16Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 2.96Å; V151-Q154 PolarHBondContact O-N 3.43Å; V151-Q155 HydrophobicContact CG1-CG 4.14Å; V151-Q155 WeakPolarHBondContact O-CG 3.48Å; V151-Q155 PolarHBondContact O-N 3.2Å
152A98.3Very high97.9Very high8 Ų868.5 Ų68.57%0.06635%0.353CS..Hα-helixtrans-59.3-35.8177.500000112.6L125 W132 H150 Q155 R156L125-A152 HydrophobicContact CD1-CB 4.01Å; W132-A152 HydrophobicContact CZ2-CB 4.29Å; H150-A152 PolarHBondContact O-N 3.49Å; A152-Q155 PolarHBondContact O-N 2.84Å; A152-R156 WeakPolarHBondContact O-CB 3.36Å; A152-R156 PolarHBondContact O-N 2.92Å
153E97.9Very high97.9Very high125 Ų12567.8 Ų67.858%0.58435%0.349SS*.Hα-helixtrans-67.5-40.6179.8-64.1174.2-156.200111.4H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.43Å; H150-E153 IonicContact CE1-OE1 3.86Å; H150-E153 IonicContact CG-OE1 3.68Å; H150-E153 IonicContact ND1-OE1 2.87Å; H150-E153 PolarHBondContact ND1-OE1 3.27Å; H150-E153 WeakPolarHBondContact O-CB 3.44Å; H150-E153 PolarHBondContact O-N 2.99Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 2.96Å; E153-R156 PolarHBondContact O-N 3.48Å; E153-A157 WeakPolarHBondContact O-CB 3.19Å; E153-A157 PolarHBondContact O-N 2.97Å
154Q96.4Very high97.9Very high131 Ų13166 Ų6661%0.61234%0.342SS*.Hα-helixtrans-64.8-46.2175.4-63177.6-6.200111.4V151 R156 A157 Y158V151-Q154 PolarHBondContact O-N 3.43Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; Q154-A157 PolarHBondContact O-N 3.03Å; Q154-Y158 PolarHBondContact O-N 3.17Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å
155Q97.8Very high97.8Very high40 Ų4062.8 Ų62.819%0.18734%0.336CS..Hα-helixtrans-64.2-42178-63.9-51.9-36.600111.2H113 L125 W132 V151 A152 A157 Y158 L159H113-Q155 PolarHBondContact CD2-OE1 2.84Å; H113-Q155 VanDerWaalsContact CD2-OE1 3.24Å; L125-Q155 HydrophobicContact CD2-CB 4.1Å; W132-Q155 HydrophobicContact CH2-CG 4.32Å; V151-Q155 HydrophobicContact CG1-CG 4.14Å; V151-Q155 WeakPolarHBondContact O-CG 3.48Å; V151-Q155 PolarHBondContact O-N 3.2Å; A152-Q155 PolarHBondContact O-N 2.84Å; Q155-A157 PolarHBondContact O-N 3.08Å; Q155-Y158 PolarHBondContact O-N 3.04Å; Q155-L159 WeakPolarHBondContact O-CB 3.26Å; Q155-L159 WeakPolarHBondContact O-CG 3.47Å; Q155-L159 PolarHBondContact O-N 3.24Å
156R98.3Very high97.7Very high77 Ų7757.9 Ų57.929%0.29132%0.32SS..Hα-helixtrans-59.3-46175.2-176.8174.6179.5-135.6-19.3112L129 A152 E153 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.88Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; A152-R156 WeakPolarHBondContact O-CB 3.36Å; A152-R156 PolarHBondContact O-N 2.92Å; E153-R156 PolarHBondContact O-N 3.48Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 3.46Å; R156-L159 PolarHBondContact O-N 3.24Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.44Å; R156-E160 IonicContact CZ-OE2 3.56Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 2.79Å; R156-E160 PolarHBondContact NE-OE1 3.13Å; R156-E160 IonicContact NE-OE2 3.3Å; R156-E160 PolarHBondContact NE-OE2 2.9Å; R156-E160 IonicContact NH2-OE1 3.16Å; R156-E160 PolarHBondContact NH2-OE1 2.87Å; R156-E160 VanDerWaalsContact NH2-OE1 3.16Å; R156-E160 IonicContact NH2-OE2 3.1Å; R156-E160 PolarHBondContact NH2-OE2 3.13Å; R156-E160 VanDerWaalsContact NH2-OE2 3.1Å; R156-E160 WeakPolarHBondContact O-CB 3.29Å; R156-E160 PolarHBondContact O-N 3.12Å
157A98.2Very high97.6Very high66 Ų6655.5 Ų55.555%0.54531%0.311SS..Hα-helixtrans-60.4-41.5178.400000112.2E153 Q154 Q155 G161E153-A157 WeakPolarHBondContact O-CB 3.19Å; E153-A157 PolarHBondContact O-N 2.97Å; Q154-A157 PolarHBondContact O-N 3.03Å; Q155-A157 PolarHBondContact O-N 3.08Å; A157-G161 WeakPolarHBondContact O-CA 3.2Å; A157-G161 PolarHBondContact O-N 3.38Å; A157-G161 VanDerWaalsContact O-N 3.1Å
158Y97.6Very high97.4Very high65 Ų6556.3 Ų56.326%0.25531%0.311SS..Iπ-helixtrans-65.2-47.9174.3174.5-94.5000112.1F98 Q154 Q155 R156 G161 T162 C163F98-Y158 AromaticContact CD2-CE1 3.77Å; F98-Y158 HydrophobicContact CD2-CE1 3.77Å; F98-Y158 AromaticContact CE2-CE1 3.67Å; F98-Y158 HydrophobicContact CE2-CE1 3.67Å; F98-Y158 AromaticContact CE2-CZ 3.89Å; Q154-Y158 PolarHBondContact O-N 3.17Å; Q154-Y158 VanDerWaalsContact O-N 3.1Å; Q155-Y158 PolarHBondContact O-N 3.04Å; R156-Y158 VanDerWaalsContact C-N 3.32Å; R156-Y158 PolarHBondContact O-N 3.46Å; Y158-G161 CarbonylContact O-C 3.57Å; Y158-T162 HydrophobicContact CD2-CG2 4.07Å; Y158-T162 HydrophobicContact CE2-CG2 3.83Å; Y158-T162 PolarHBondContact O-N 2.97Å; Y158-T162 VanDerWaalsContact O-N 3.13Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.89Å; Y158-C163 WeakPolarHBondContact O-CB 3.2Å; Y158-C163 PolarHBondContact O-N 2.59Å
159L98.5Very high97.1Very high0 Ų057.5 Ų57.50%030%0.298CS..Iπ-helixtrans-69.6-40.7-173.8-69.5171.2000113G99 F108 H113 L125 L129 Q155 R156 V164G99-L159 VanDerWaalsContact O-CD2 3.25Å; G99-L159 WeakPolarHBondContact O-CD2 3.39Å; F108-L159 HydrophobicContact CE2-CB 4.49Å; F108-L159 WeakPolarHBondContact CE2-O 3.4Å; H113-L159 HydrophobicContact CB-CD1 4.5Å; L125-L159 HydrophobicContact CD2-CD1 3.9Å; L129-L159 HydrophobicContact CD2-CD1 4.13Å; Q155-L159 WeakPolarHBondContact O-CB 3.26Å; Q155-L159 WeakPolarHBondContact O-CG 3.47Å; Q155-L159 PolarHBondContact O-N 3.24Å; R156-L159 PolarHBondContact O-N 3.24Å; L159-V164 WeakPolarHBondContact O-CG2 3.2Å
160E98.3Very high96.8Very high76 Ų7655.3 Ų55.336%0.35528%0.277SS..Iπ-helixtrans-80.6-23.4178.1-68-17817700112.6F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.14Å; F108-E160 HydrophobicContact CD2-CG 4.47Å; F108-E160 HydrophobicContact CE1-CG 4.01Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.36Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; L129-E160 HydrophobicContact CD1-CG 4.01Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.44Å; R156-E160 IonicContact CZ-OE2 3.56Å; R156-E160 VanDerWaalsContact NE-CD 3.34Å; R156-E160 IonicContact NE-OE1 2.79Å; R156-E160 PolarHBondContact NE-OE1 3.13Å; R156-E160 IonicContact NE-OE2 3.3Å; R156-E160 PolarHBondContact NE-OE2 2.9Å; R156-E160 IonicContact NH2-OE1 3.16Å; R156-E160 PolarHBondContact NH2-OE1 2.87Å; R156-E160 VanDerWaalsContact NH2-OE1 3.16Å; R156-E160 IonicContact NH2-OE2 3.1Å; R156-E160 PolarHBondContact NH2-OE2 3.13Å; R156-E160 VanDerWaalsContact NH2-OE2 3.1Å; R156-E160 WeakPolarHBondContact O-CB 3.29Å; R156-E160 PolarHBondContact O-N 3.12Å
161G97.8Very high96.6Very high22 Ų2250.8 Ų50.823%0.22726%0.257CS..Iπ-helixtrans-108.5-93.1-177.500000112.7A157 Y158 C163 V164 D165A157-G161 WeakPolarHBondContact O-CA 3.2Å; A157-G161 PolarHBondContact O-N 3.38Å; A157-G161 VanDerWaalsContact O-N 3.1Å; Y158-G161 CarbonylContact O-C 3.57Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.46Å; G161-C163 VanDerWaalsContact O-N 3.13Å; G161-V164 PolarHBondContact O-N 2.96Å; G161-D165 PolarHBondContact O-N 3.18Å
162T96.9Very high96.2Very high86 Ų8656.7 Ų56.753%0.52828%0.283SS..Iπ-helixtrans-51.8-40.9-171.1-52.30000113.9Y158 G166Y158-T162 HydrophobicContact CD2-CG2 4.07Å; Y158-T162 HydrophobicContact CE2-CG2 3.83Å; Y158-T162 PolarHBondContact O-N 2.97Å; Y158-T162 VanDerWaalsContact O-N 3.13Å; T162-G166 PolarHBondContact O-N 2.83Å
163C98Very high95.5Very high0 Ų060.4 Ų60.40%030%0.301CS..Hα-helixtrans-64.2-48.1177.8-175.70000111.4M4 C100 Y158 G161 G166 L167M4-C163 HydrophobicContact CE-CB 4.18Å; M4-C163 WeakPolarHBondContact CE-O 3.45Å; M4-C163 VanDerWaalsContact CE-SG 3.54Å; C100-C163 HydrophobicContact CB-CB 3.88Å; C100-C163 WeakPolarHBondContact CB-SG 3.3Å; C100-C163 PolarHBondContact N-SG 3.5Å; C100-C163 WeakPolarHBondContact SG-CB 3.28Å; C100-C163 PolarHBondContact SG-O 3.2Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.05Å; Y158-C163 HydrophobicContact CD1-CB 4.31Å; Y158-C163 HydrophobicContact CE1-CB 3.89Å; Y158-C163 WeakPolarHBondContact O-CB 3.2Å; Y158-C163 PolarHBondContact O-N 2.59Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.46Å; G161-C163 VanDerWaalsContact O-N 3.13Å; C163-G166 PolarHBondContact O-N 3.16Å; C163-L167 WeakPolarHBondContact O-CB 3.43Å; C163-L167 PolarHBondContact O-N 2.89Å
164V98.2Very high94.7Very high3 Ų356.8 Ų56.82%0.01828%0.282CS..Hα-helixtrans-64.2-44.3179.6171.50000110.8C100 V102 F108 L159 G161 L167 R168C100-V164 HydrophobicContact CB-CG2 4.4Å; V102-V164 HydrophobicContact CG1-CB 4.4Å; V102-V164 HydrophobicContact CG1-CG1 3.97Å; V102-V164 HydrophobicContact CG1-CG2 4.02Å; F108-V164 HydrophobicContact CB-CG2 4.04Å; F108-V164 HydrophobicContact CD2-CG2 3.62Å; F108-V164 HydrophobicContact CG-CG2 4.31Å; L159-V164 WeakPolarHBondContact O-CG2 3.2Å; G161-V164 PolarHBondContact O-N 2.96Å; V164-L167 PolarHBondContact O-N 3.1Å; V164-R168 HydrophobicContact CG1-CG 4.49Å; V164-R168 WeakPolarHBondContact O-CB 3.4Å; V164-R168 VanDerWaalsContact O-CG 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.01Å; V164-R168 PolarHBondContact O-N 3.46Å
165D96.8Very high94Very high94 Ų9456.1 Ų56.150%0.50328%0.278SS..Hα-helixtrans-65.3-42.4179.7-68.9-24.2000111.5G161 R168 R169G161-D165 PolarHBondContact O-N 3.18Å; D165-R168 PolarHBondContact O-N 3.42Å; D165-R168 IonicContact OD1-NH1 3.45Å; D165-R169 WeakPolarHBondContact O-CB 3.5Å; D165-R169 PolarHBondContact O-N 3.27Å
166G94.6Very high93Very high18 Ų1862.9 Ų62.919%0.18631%0.309CS..Hα-helixtrans-61-4817400000112.3T162 C163 R168 R169 Y170T162-G166 PolarHBondContact O-N 2.83Å; C163-G166 PolarHBondContact O-N 3.16Å; G166-R168 PolarHBondContact O-N 3.42Å; G166-R169 WeakPolarHBondContact O-CB 3.4Å; G166-R169 PolarHBondContact O-N 3.47Å; G166-Y170 VanDerWaalsContact O-CD2 3.3Å; G166-Y170 WeakPolarHBondContact O-CD2 3.45Å; G166-Y170 PolarHBondContact O-N 3.31Å
167L96Very high91.9Very high0 Ų061.9 Ų61.90%031%0.312CS..Hα-helixtrans-60.9-45.2177.7176.353.6000111.6H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.43Å; H2-L167 HydrophobicContact CB-CD2 4.41Å; M4-L167 HydrophobicContact CB-CB 4.08Å; M4-L167 HydrophobicContact CB-CD1 4.09Å; M4-L167 HydrophobicContact CB-CD2 4.12Å; M4-L167 HydrophobicContact CB-CG 4.32Å; M4-L167 HydrophobicContact CE-CB 4.38Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.32Å; V102-L167 HydrophobicContact CB-CD2 4.39Å; V102-L167 HydrophobicContact CG1-CD2 4.01Å; V102-L167 HydrophobicContact CG2-CD2 3.6Å; V102-L167 HydrophobicContact CG2-CG 4.2Å; C163-L167 WeakPolarHBondContact O-CB 3.43Å; C163-L167 PolarHBondContact O-N 2.89Å; V164-L167 PolarHBondContact O-N 3.1Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 2.87Å; L167-Y170 PolarHBondContact O-N 2.66Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.49Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.46Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 3.13Å
168R94.6Very high90.8Very high104 Ų10458.9 Ų58.939%0.39229%0.287SS..Hα-helixtrans-59.2-43.9175.1-74.7173.9-177.5169.1-0.4111.9G106 V164 D165 G166 Y170 L171 E172G106-R168 PolarHBondContact O-NE 2.88Å; G106-R168 PolarHBondContact O-NH2 2.86Å; V164-R168 HydrophobicContact CG1-CG 4.49Å; V164-R168 WeakPolarHBondContact O-CB 3.4Å; V164-R168 VanDerWaalsContact O-CG 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.01Å; V164-R168 PolarHBondContact O-N 3.46Å; D165-R168 PolarHBondContact O-N 3.42Å; D165-R168 IonicContact OD1-NH1 3.45Å; G166-R168 PolarHBondContact O-N 3.42Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 3.3Å; R168-L171 PolarHBondContact O-N 3.26Å; R168-E172 WeakPolarHBondContact O-CB 2.97Å; R168-E172 PolarHBondContact O-N 3.09Å
169R92.3Very high90.1Very high106 Ų10659.7 Ų59.740%0.429%0.293SS..Hα-helixtrans-59.7-45.7177.7-170.2-179.394.9169.47111.4E54 D165 G166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.62Å; E54-R169 IonicContact OE1-NE 2.79Å; E54-R169 IonicContact OE1-NH2 3.72Å; E54-R169 PolarHBondContact OE1-NH2 2.91Å; E54-R169 IonicContact OE2-CZ 3.12Å; E54-R169 IonicContact OE2-NH2 3.57Å; E54-R169 PolarHBondContact OE2-NH2 3.37Å; D165-R169 WeakPolarHBondContact O-CB 3.5Å; D165-R169 PolarHBondContact O-N 3.27Å; G166-R169 WeakPolarHBondContact O-CB 3.4Å; G166-R169 PolarHBondContact O-N 3.47Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 2.87Å; R169-E172 PolarHBondContact O-N 3.46Å; R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 PolarHBondContact O-N 2.91Å
170Y92Very high89.7Confident13 Ų1363.5 Ų63.55%0.05131%0.307CS..Hα-helixtrans-65.4-42.6178.4-60-35.3000112M4 V27 F32 W50 I51 Y58 G166 L167 R168 E172 W174 L178M4-Y170 HydrophobicContact SD-CD2 3.99Å; M4-Y170 HydrophobicContact SD-CE2 3.69Å; V27-Y170 HydrophobicContact CG2-CD2 4.04Å; F32-Y170 AromaticContact CE2-CE2 3.98Å; F32-Y170 HydrophobicContact CE2-CE2 3.98Å; F32-Y170 HydrophobicContact CZ-CE2 4.12Å; W50-Y170 HydrophobicContact CH2-CD2 4.46Å; W50-Y170 HydrophobicContact CH2-CG 4.24Å; W50-Y170 AromaticContact CZ3-CD1 3.91Å; W50-Y170 HydrophobicContact CZ3-CD1 3.91Å; W50-Y170 HydrophobicContact CZ3-CE1 4.48Å; W50-Y170 AromaticContact CZ3-CG 3.94Å; W50-Y170 HydrophobicContact CZ3-CG 3.94Å; I51-Y170 HydrophobicContact CD1-CD1 4.22Å; I51-Y170 HydrophobicContact CD1-CE1 3.67Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.29Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 3.49Å; G166-Y170 VanDerWaalsContact O-CD2 3.3Å; G166-Y170 WeakPolarHBondContact O-CD2 3.45Å; G166-Y170 PolarHBondContact O-N 3.31Å; L167-Y170 PolarHBondContact O-N 2.66Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 3.3Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 3.19Å; Y170-W174 WeakPolarHBondContact O-CB 3.41Å; Y170-W174 PolarHBondContact O-N 3.44Å; Y170-L178 WeakPolarHBondContact O-CD1 3.2Å
171L91.8Very high89.4Confident14 Ų1462.9 Ų62.97%0.07331%0.308CS..Hα-helixtrans-64.5-36.6177.5-69.3169.5000112.9H2 V27 V102 L167 R168 K175 L178H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.21Å; V27-L171 HydrophobicContact CG1-CD2 4.35Å; V102-L171 HydrophobicContact CG2-CD1 4.5Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.49Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 3.91Å; L167-L171 HydrophobicContact CG-CG 4.46Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.28Å; L167-L171 WeakPolarHBondContact O-CG 3.18Å; L167-L171 PolarHBondContact O-N 3.13Å; R168-L171 PolarHBondContact O-N 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.21Å; L171-K175 WeakPolarHBondContact O-CB 3.29Å; L171-K175 PolarHBondContact O-N 3.45Å; L171-K175 VanDerWaalsContact O-N 3.11Å; L171-L178 HydrophobicContact CD2-CB 4.05Å; L171-L178 HydrophobicContact CD2-CD1 4.25Å
172E89.6Confident89.3Confident143 Ų14364.2 Ų64.267%0.66831%0.311SS*.Hα-helixtrans-72.4-49.4177.9-171.962.8-153.200111.2R168 R169 Y170 W174R168-E172 WeakPolarHBondContact O-CB 2.97Å; R168-E172 PolarHBondContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 3.46Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 3.19Å; E172-W174 PolarHBondContact O-N 3.41Å
173N84.2Confident89.3Confident85 Ų8563.3 Ų63.346%0.45531%0.306SS..Hα-helixtrans-64.9-28.9-178.4-69.2-2.9000112.1R169R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 PolarHBondContact O-N 2.91Å
174W81.4Confident89.3Confident49 Ų4963.7 Ų63.719%0.18631%0.309CS..THydrogen-bonded Turntrans-130.332.6-168.2-54.6115.1000113.9W50 Q53 Y170 E172 E176 T177 L178W50-W174 HydrophobicContact CB-CB 3.99Å; W50-W174 HydrophobicContact CB-CD2 3.25Å; W50-W174 HydrophobicContact CB-CE3 3.51Å; W50-W174 HydrophobicContact CB-CG 3.41Å; W50-W174 VanDerWaalsContact CB-CG 3.41Å; W50-W174 HydrophobicContact CB-CZ2 4.45Å; W50-W174 HydrophobicContact CB-CZ3 4.29Å; W50-W174 HydrophobicContact CD2-CB 4.36Å; W50-W174 AromaticContact CD2-CD1 3.9Å; W50-W174 HydrophobicContact CD2-CG 4.06Å; W50-W174 AromaticContact CE3-CD1 3.32Å; W50-W174 AromaticContact CE3-CG 3.95Å; W50-W174 HydrophobicContact CE3-CG 3.95Å; W50-W174 AromaticContact CE3-NE1 3.74Å; W50-W174 HydrophobicContact CG-CB 4.16Å; W50-W174 HydrophobicContact CG-CD2 4.25Å; W50-W174 AromaticContact CG-CG 3.91Å; W50-W174 HydrophobicContact CG-CG 3.91Å; W50-W174 WeakPolarHBondContact O-CZ2 3.47Å; W50-W174 PolarHBondContact O-NE1 3.31Å; Q53-W174 HydrophobicContact CB-CZ2 4.07Å; Q53-W174 HydrophobicContact CG-CH2 4.05Å; Q53-W174 HydrophobicContact CG-CZ2 4.02Å; Y170-W174 WeakPolarHBondContact O-CB 3.41Å; Y170-W174 PolarHBondContact O-N 3.44Å; E172-W174 PolarHBondContact O-N 3.41Å; W174-E176 VanDerWaalsContact C-N 3.31Å; W174-E176 PolarHBondContact O-N 3.3Å; W174-T177 PolarHBondContact O-N 3.41Å; W174-L178 HydrophobicContact CB-CD1 3.97Å; W174-L178 HydrophobicContact CB-CG 4.28Å; W174-L178 PolarHBondContact O-N 3.04Å
175K80.6Confident89.3Confident117 Ų11771.1 Ų71.151%0.50934%0.34SS..Hα-helixtrans-49.4-47.9-176.7-171.6172.3-176.7175.20113.5L171 T177 Q179L171-K175 WeakPolarHBondContact O-CA 3.21Å; L171-K175 WeakPolarHBondContact O-CB 3.29Å; L171-K175 PolarHBondContact O-N 3.45Å; L171-K175 VanDerWaalsContact O-N 3.11Å; K175-T177 PolarHBondContact O-N 3.24Å; K175-Q179 HydrophobicContact CG-CB 4.46Å; K175-Q179 HydrophobicContact CG-CG 4.24Å; K175-Q179 WeakPolarHBondContact O-CA 3.37Å; K175-Q179 VanDerWaalsContact O-CB 3.26Å; K175-Q179 WeakPolarHBondContact O-CB 3.33Å; K175-Q179 PolarHBondContact O-N 3.19Å
176E77.6Confident89.3Confident182 Ų18268.4 Ų68.485%0.8533%0.328SS*.Hα-helixtrans-63.6-29.6-177.1-65.1-174.3169.200113.2W174W174-E176 VanDerWaalsContact C-N 3.31Å; W174-E176 PolarHBondContact O-N 3.3Å
177T74.9Confident89.4Confident57 Ų5771.3 Ų71.335%0.3534%0.336SS..Hα-helixtrans-90.5-43.2-179.8-55.70000111.9W174 K175 R180W174-T177 PolarHBondContact O-N 3.41Å; K175-T177 PolarHBondContact O-N 3.24Å; T177-R180 WeakPolarHBondContact O-CD 3.36Å; T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.15Å
178L76.4Confident89.4Confident3 Ų373 Ų732%0.01634%0.344CS..Hα-helixtrans-83.4-27.8-173.8-67.4173.2000113.3V27 W50 Y170 L171 W174V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 4.07Å; V27-L178 HydrophobicContact CG1-CD2 4.03Å; W50-L178 HydrophobicContact CZ2-CD1 4.23Å; W50-L178 HydrophobicContact CZ2-CD2 3.9Å; Y170-L178 WeakPolarHBondContact O-CD1 3.2Å; L171-L178 HydrophobicContact CD2-CB 4.05Å; L171-L178 HydrophobicContact CD2-CD1 4.25Å; W174-L178 HydrophobicContact CB-CD1 3.97Å; W174-L178 HydrophobicContact CB-CG 4.28Å; W174-L178 PolarHBondContact O-N 3.04Å
179Q82.4Confident89.4Confident82 Ų8269.7 Ų69.738%0.38334%0.336SS..THydrogen-bonded Turntrans-101.516.3177.4-53.8-177.45.300112.3K175K175-Q179 HydrophobicContact CG-CB 4.46Å; K175-Q179 HydrophobicContact CG-CG 4.24Å; K175-Q179 WeakPolarHBondContact O-CA 3.37Å; K175-Q179 VanDerWaalsContact O-CB 3.26Å; K175-Q179 WeakPolarHBondContact O-CB 3.33Å; K175-Q179 PolarHBondContact O-N 3.19Å
180R88.8Confident89.5Confident80 Ų8067.4 Ų67.430%0.30233%0.329SS..  trans-67.7148.3172.177.6-176.1177.4170.42.1109.9T177 D182 Y208 G238T177-R180 WeakPolarHBondContact O-CD 3.36Å; T177-R180 VanDerWaalsContact O-CG 3.3Å; T177-R180 WeakPolarHBondContact O-CG 3.15Å; R180-D182 IonicContact CZ-OD2 3.93Å; R180-D182 IonicContact NE-OD2 3.99Å; R180-D182 IonicContact NH1-OD2 3.06Å; R180-Y208 HydrophobicContact CG-CD1 3.73Å; R180-Y208 HydrophobicContact CG-CE1 4.09Å; R180-Y208 HydrophobicContact CG-CG 4.45Å; R180-Y208 VanDerWaalsContact O-CD1 3.28Å; R180-Y208 WeakPolarHBondContact O-CD1 3.28Å; R180-G238 PolarHBondContact NH2-O 2.84Å
181T92.8Very high89.6Confident62 Ų6270.4 Ų70.438%0.3834%0.344SS..  trans-130.9110.6170.746.30000108.3Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.39Å; T181-E263 HydrophobicContact CG2-CG 4.21Å
182D95.3Very high89.7Confident51 Ų5174.5 Ų74.527%0.27337%0.371SS..BIsolated β-bridgetrans-99.5114.2-179.7-65-38.1000107.9R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 3.93Å; R180-D182 IonicContact NE-OD2 3.99Å; R180-D182 IonicContact NH1-OD2 3.06Å; D182-F207 VanDerWaalsContact O-CA 3.24Å; D182-F207 WeakPolarHBondContact O-CA 3.37Å; D182-F207 WeakPolarHBondContact O-CB 3.4Å; D182-Y208 PolarHBondContact N-O 2.95Å; D182-Y208 PolarHBondContact O-N 3.33Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; D182-H262 PolarHBondContact O-CE1 3.47Å
183P97.6Very high89.9Confident67 Ų6772.4 Ų72.444%0.43536%0.363SS..  trans-68.1145.6-179.325.5-32.6000111.6K185 L265P183-K185 PolarHBondContact O-N 3.05Å; P183-L265 HydrophobicContact CB-CD2 3.93Å
184P98.1Very high90.3Very high8 Ų870.9 Ų70.95%0.05236%0.359CS..  trans-65.6131.2178.427.3-34.8000112T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.69Å; P184-A204 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.92Å; P184-F207 HydrophobicContact CB-CG 4.14Å; P184-I212 HydrophobicContact CB-CD1 4.05Å; P184-I212 HydrophobicContact CG-CD1 4.09Å; P184-V260 HydrophobicContact CG-CG1 3.96Å; P184-H262 HydrophobicContact CG-CB 4.14Å; P184-L265 HydrophobicContact CG-CD1 3.86Å; P184-L265 HydrophobicContact CG-CD2 4.41Å; P184-L265 HydrophobicContact CG-CG 4.19Å
185K98Very high90.7Very high158 Ų15875.8 Ų75.869%0.68739%0.389SS*.EExtended strand (participates in β ladder)trans-77.2111.8163.7-63.6176.9-173170.40107.7P183 L205P183-K185 PolarHBondContact O-N 3.05Å; K185-L205 PolarHBondContact N-O 2.99Å; K185-L205 PolarHBondContact O-N 3.46Å
186T97.4Very high91.3Very high38 Ų3877 Ų7723%0.23340%0.397CS..EExtended strand (participates in β ladder)trans-107.2144.2-174.857.60000112.1P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.69Å; T186-W203 WeakPolarHBondContact CA-O 3.36Å; T186-W203 WeakPolarHBondContact CB-O 3.29Å; T186-A204 HydrophobicContact CG2-CB 4.38Å; T186-V260 HydrophobicContact CG2-CG1 4.3Å; T186-V260 HydrophobicContact CG2-CG2 4.13Å; T186-L269 HydrophobicContact CG2-CD1 4.33Å; T186-L271 HydrophobicContact CG2-CD1 4.07Å
187H95.2Very high92.2Very high79 Ų7972.7 Ų72.737%0.36638%0.376SS..EExtended strand (participates in β ladder)trans-156.1162.6171.467.4-77.4000110.1W203H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.26Å; H187-W203 AromaticContact CE1-CD1 3.8Å; H187-W203 AromaticContact CE1-CG 3.5Å; H187-W203 PolarHBondContact N-O 2.67Å; H187-W203 AromaticContact NE2-CD1 3.4Å; H187-W203 AromaticContact NE2-CG 3.59Å; H187-W203 AromaticContact NE2-NE1 3.97Å; H187-W203 PolarHBondContact O-N 2.98Å
188M95.6Very high93.1Very high35 Ų3570 Ų7017%0.17236%0.36CS..EExtended strand (participates in β ladder)trans-111.5146.3174.7-78.4-165.7167.700111.4R201 C202 W216 C258 L271 W273M188-R201 WeakPolarHBondContact CA-O 3.33Å; M188-C202 HydrophobicContact CE-CB 4.5Å; M188-W216 HydrophobicContact CE-CH2 3.14Å; M188-W216 HydrophobicContact CE-CZ2 3.93Å; M188-W216 HydrophobicContact CE-CZ3 3.56Å; M188-W216 HydrophobicContact SD-CH2 4.05Å; M188-C258 HydrophobicContact CE-CB 3.43Å; M188-C258 VanDerWaalsContact CE-CB 3.43Å; M188-L271 HydrophobicContact CE-CB 3.87Å; M188-L271 VanDerWaalsContact CE-O 3.3Å; M188-L271 WeakPolarHBondContact CE-O 3.14Å; M188-W273 WeakPolarHBondContact SD-CA 3.19Å; M188-W273 HydrophobicContact SD-CB 3.75Å; M188-W273 PolarHBondContact SD-N 3.32Å
189T95.1Very high94.1Very high34 Ų3470.9 Ų70.921%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-125.9140.9173.249.30000108.9H191 R201 W203T189-H191 VanDerWaalsContact CB-CE1 3.43Å; T189-H191 WeakPolarHBondContact CB-CE1 3.42Å; T189-H191 PolarHBondContact OG1-CE1 3.21Å; T189-H191 VanDerWaalsContact OG1-CE1 3.27Å; T189-R201 PolarHBondContact N-O 3.42Å; T189-R201 PolarHBondContact O-N 2.97Å; T189-R201 WeakPolarHBondContact OG1-CB 3.35Å; T189-R201 PolarHBondContact OG1-O 3.09Å; T189-W203 PolarHBondContact OG1-NE1 3.42Å
190H94.8Very high94.8Very high58 Ų5867 Ų6727%0.26935%0.348SS..EExtended strand (participates in β ladder)trans-120.6123.6-178.7168.9-91.1000108.9A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.4Å; H190-T199 WeakPolarHBondContact CA-O 3.45Å; H190-L200 HydrophobicContact CB-CD2 3.96Å; H190-E253 IonicContact NE2-OE1 3.56Å; H190-W273 HydrophobicContact CB-CZ2 4.15Å; H190-W273 VanDerWaalsContact CB-NE1 3.25Å; H190-W273 AromaticContact CG-CE2 3.96Å; H190-W273 AromaticContact CG-CZ2 3.96Å; H190-W273 AromaticContact CG-NE1 3.98Å
191H94.3Very high95.3Very high77 Ų7765.7 Ų65.736%0.35634%0.343SS..EExtended strand (participates in β ladder)trans-124.4103.2-177.2-52.584.8000108.7T189 I193 A198 T199 R201T189-H191 VanDerWaalsContact CB-CE1 3.43Å; T189-H191 WeakPolarHBondContact CB-CE1 3.42Å; T189-H191 PolarHBondContact OG1-CE1 3.21Å; T189-H191 VanDerWaalsContact OG1-CE1 3.27Å; H191-I193 PolarHBondContact O-N 3.48Å; H191-A198 CarbonylContact O-C 3.5Å; H191-A198 WeakPolarHBondContact O-CA 3.4Å; H191-T199 PolarHBondContact N-O 2.81Å; H191-T199 PolarHBondContact O-N 2.89Å; H191-R201 PolarHBondContact CE1-NH1 3.12Å
192P93.8Very high95.5Very high99 Ų9962.8 Ų62.864%0.64333%0.325SS*.EExtended strand (participates in β ladder)trans-56.7131.4173.2-21.431.4000110.6
193I92.8Very high95.6Very high99 Ų9962.4 Ų62.451%0.50832%0.32SS..  trans-99.1-45.5172.8-61.3162.2000109.2H191 E197 T199 V247H191-I193 PolarHBondContact O-N 3.48Å; I193-E197 PolarHBondContact N-O 3.01Å; I193-T199 VanDerWaalsContact CD1-OG1 3.27Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.07Å; I193-V247 HydrophobicContact CD1-CG1 4.08Å; I193-V247 HydrophobicContact CD1-CG2 4.11Å
194S93.1Very high95.7Very high53 Ų5359.2 Ų59.237%0.37130%0.299SS..SBendtrans-148.1-178.1178.871.60000110.3H196 E197S194-H196 PolarHBondContact O-N 2.84Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 3.32Å; S194-E197 PolarHBondContact N-O 2.93Å; S194-E197 VanDerWaalsContact N-O 3.07Å; S194-E197 VanDerWaalsContact O-O 3.12Å; S194-E197 PolarHBondContact OG-N 2.89Å
195D90.5Very high95.7Very high152 Ų15261.5 Ų61.581%0.81331%0.31SS*.SBendtrans-66.4-9.5173-64.8-22000113.5S250D195-S250 PolarHBondContact O-OG 3.29Å
196H93.5Very high95.7Very high143 Ų14355.1 Ų55.166%0.66229%0.29SS*.SBendtrans-114.2-17.2-175.8-56.8-45.6000113.5S194 P249 S250S194-H196 PolarHBondContact O-N 2.84Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 3.32Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.49Å; H196-S250 PolarHBondContact O-N 2.8Å; H196-S250 PolarHBondContact O-OG 2.91Å
197E95.1Very high95.7Very high91 Ų9153.3 Ų53.343%0.42528%0.279SS..EExtended strand (participates in β ladder)trans-147.7147.1-170.5-66.2179.4175.600112.3I193 S194 V247 V248 S250I193-E197 PolarHBondContact N-O 3.01Å; S194-E197 PolarHBondContact N-O 2.93Å; S194-E197 VanDerWaalsContact N-O 3.07Å; S194-E197 VanDerWaalsContact O-O 3.12Å; S194-E197 PolarHBondContact OG-N 2.89Å; E197-V247 HydrophobicContact CB-CG1 4.09Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; E197-V248 WeakPolarHBondContact CA-O 3.3Å; E197-S250 PolarHBondContact N-OG 3.49Å
198A95.5Very high95.7Very high1 Ų149.8 Ų49.81%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-137.6155.6173.100000111.2H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.4Å; H191-A198 CarbonylContact O-C 3.5Å; H191-A198 WeakPolarHBondContact O-CA 3.4Å; A198-V247 WeakPolarHBondContact O-CA 3.42Å; A198-V248 PolarHBondContact N-O 3.46Å; A198-V248 PolarHBondContact O-N 2.74Å
199T97Very high95.6Very high22 Ų2249.1 Ų49.114%0.13526%0.26CS..EExtended strand (participates in β ladder)trans-92.1121168.2-530000109.9H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.45Å; H191-T199 PolarHBondContact N-O 2.81Å; H191-T199 PolarHBondContact O-N 2.89Å; I193-T199 VanDerWaalsContact CD1-OG1 3.27Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.07Å; T199-A245 HydrophobicContact CG2-CB 3.84Å; T199-V246 WeakPolarHBondContact CA-O 3.49Å
200L97.3Very high95.7Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-91.9127.2162.1-66.6-178.5000109.2H190 W216 A245 V246 V248 E253 W273H190-L200 HydrophobicContact CB-CD2 3.96Å; L200-W216 HydrophobicContact CB-CH2 3.59Å; L200-W216 HydrophobicContact CB-CZ2 3.95Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.07Å; L200-W216 HydrophobicContact CD1-CZ3 4.28Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.33Å; L200-V246 HydrophobicContact CB-CG2 4.25Å; L200-V246 PolarHBondContact N-O 3.45Å; L200-V246 PolarHBondContact O-N 2.91Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 3.99Å; L200-V248 HydrophobicContact CG-CG1 4.23Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.39Å; L200-E253 HydrophobicContact CD2-CG 4.4Å; L200-W273 HydrophobicContact CD1-CB 4.2Å; L200-W273 HydrophobicContact CD2-CB 3.83Å; L200-W273 HydrophobicContact CD2-CD2 4.28Å; L200-W273 HydrophobicContact CD2-CG 3.7Å
201R97.8Very high95.7Very high53 Ų5352.4 Ų52.420%0.228%0.276CS..EExtended strand (participates in β ladder)trans-122.9121.9175.8-179.6-176-61.5124.13.4110.4M188 T189 H191 W203 W243 A244 A245M188-R201 WeakPolarHBondContact CA-O 3.33Å; T189-R201 PolarHBondContact N-O 3.42Å; T189-R201 PolarHBondContact O-N 2.97Å; T189-R201 WeakPolarHBondContact OG1-CB 3.35Å; T189-R201 PolarHBondContact OG1-O 3.09Å; H191-R201 PolarHBondContact CE1-NH1 3.12Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.89Å; R201-W243 HydrophobicContact CG-CG 4.25Å; R201-A244 WeakPolarHBondContact CA-O 3.19Å; R201-A245 HydrophobicContact CB-CB 3.95Å; R201-A245 HydrophobicContact CG-CB 4.11Å
202C97.9Very high95.9Very high0 Ų049.2 Ų49.20%026%0.261CS..EExtended strand (participates in β ladder)trans-94.5122.1176.3-176.90000109.4M188 W216 W243 A244 C258M188-C202 HydrophobicContact CE-CB 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.71Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 2.86Å; C202-A244 PolarHBondContact N-O 2.81Å; C202-A244 PolarHBondContact O-N 2.83Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.42Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.04Å; C202-C258 PolarHBondContact SG-SG 3.39Å
203W98.3Very high96.1Very high44 Ų4447.2 Ų47.217%0.16725%0.248CC..EExtended strand (participates in β ladder)trans-105.9142-179.5-68.388.6000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.36Å; T186-W203 WeakPolarHBondContact CB-O 3.29Å; H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.26Å; H187-W203 AromaticContact CE1-CD1 3.8Å; H187-W203 AromaticContact CE1-CG 3.5Å; H187-W203 PolarHBondContact N-O 2.67Å; H187-W203 AromaticContact NE2-CD1 3.4Å; H187-W203 AromaticContact NE2-CG 3.59Å; H187-W203 AromaticContact NE2-NE1 3.97Å; H187-W203 PolarHBondContact O-N 2.98Å; T189-W203 PolarHBondContact OG1-NE1 3.42Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; W203-W243 HydrophobicContact CD2-CB 3.94Å; W203-W243 HydrophobicContact CD2-CG 4.44Å; W203-W243 HydrophobicContact CE3-CB 3.85Å; W203-W243 AromaticContact CE3-CD1 3.83Å; W203-W243 HydrophobicContact CE3-CG 4.14Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.69Å; W203-W243 HydrophobicContact CH2-CG 4.31Å; W203-W243 HydrophobicContact CZ3-CB 4.3Å; W203-W243 AromaticContact CZ3-CD1 3.39Å; W203-W243 HydrophobicContact CZ3-CG 4.09Å
204A98.4Very high96.3Very high0 Ų042.9 Ų42.90%023%0.225CC..EExtended strand (participates in β ladder)trans-124.7121.9163.400000107.8P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.86Å; T186-A204 HydrophobicContact CG2-CB 4.38Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.48Å; A204-I212 HydrophobicContact CB-CD1 3.71Å; A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.27Å; A204-Q241 CarbonylContact O-C 3.59Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.45Å; A204-K242 PolarHBondContact N-O 3.16Å; A204-K242 PolarHBondContact O-N 3.07Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L98.3Very high96.5Very high55 Ų5542.2 Ų42.229%0.28822%0.219SC..EExtended strand (participates in β ladder)trans-129.1149.5-175.3-58.7179.8000111.2K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.99Å; K185-L205 PolarHBondContact O-N 3.46Å; W203-L205 HydrophobicContact CE3-CD2 3.93Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 2.82Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å
206G97.5Very high96.9Very high25 Ų2535.1 Ų35.126%0.25818%0.181SC..EExtended strand (participates in β ladder)trans67.332.2167.700000113.9F240G206-F240 PolarHBondContact N-O 3.32Å
207F97.3Very high97.1Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-103.2157.2-179.860.1-89.9000112.5D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.24Å; D182-F207 WeakPolarHBondContact O-CA 3.37Å; D182-F207 WeakPolarHBondContact O-CB 3.4Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.92Å; P184-F207 HydrophobicContact CB-CG 4.14Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.48Å; L205-F207 VanDerWaalsContact C-N 3.34Å; L205-F207 PolarHBondContact O-N 2.82Å; F207-P209 VanDerWaalsContact CD2-O 3.29Å; F207-P209 WeakPolarHBondContact CD2-O 3.33Å; F207-I212 HydrophobicContact CD1-CD1 3.91Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.97Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.71Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.39Å; F207-I212 HydrophobicContact CE2-CG2 3.55Å; F207-I212 HydrophobicContact CG-CD1 4Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; F207-T232 HydrophobicContact CE2-CG2 4.07Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 WeakPolarHBondContact O-CA 3.38Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.46Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.4Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.49Å; F207-F240 HydrophobicContact CG-CB 4.49Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 2.88Å; F207-F240 PolarHBondContact O-N 2.69Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.62Å
208Y95.3Very high97.2Very high4 Ų429.8 Ų29.82%0.01615%0.153CC..BIsolated β-bridgetrans-151.5136173.2-179.3-84.8000109D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.19Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.13Å; T30-Y208 PolarHBondContact OG1-OH 2.99Å; T30-Y208 VanDerWaalsContact OG1-OH 3.06Å; R180-Y208 HydrophobicContact CG-CD1 3.73Å; R180-Y208 HydrophobicContact CG-CE1 4.09Å; R180-Y208 HydrophobicContact CG-CG 4.45Å; R180-Y208 VanDerWaalsContact O-CD1 3.28Å; R180-Y208 WeakPolarHBondContact O-CD1 3.28Å; T181-Y208 WeakPolarHBondContact CA-O 3.39Å; D182-Y208 PolarHBondContact N-O 2.95Å; D182-Y208 PolarHBondContact O-N 3.33Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; Y208-G238 WeakPolarHBondContact CD2-O 3.33Å; Y208-F240 HydrophobicContact CD2-CD2 4.34Å; Y208-F240 AromaticContact CD2-CE2 3.88Å; Y208-F240 HydrophobicContact CD2-CE2 3.88Å; Y208-F240 HydrophobicContact CE2-CE2 4.29Å; Y208-H262 PolarHBondContact O-CE1 3.29Å
209P94.4Very high97.1Very high21 Ų2134.5 Ų34.514%0.13618%0.178CC..SBendcis-73-177.44.831-37.1000114.4D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.45Å; F207-P209 VanDerWaalsContact CD2-O 3.29Å; F207-P209 WeakPolarHBondContact CD2-O 3.33Å; P209-E211 VanDerWaalsContact C-N 3.28Å; P209-E211 PolarHBondContact O-N 3.11Å; P209-H262 PolarHBondContact O-NE2 3.46Å
210A96.2Very high96.9Very high16 Ų1635.8 Ų35.813%0.13220%0.196CC..SBendtrans-70.9-24.2-17800000113.4D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.16Å; D29-A210 WeakPolarHBondContact OD2-CB 3.43Å; D29-A210 PolarHBondContact OD2-N 3.45Å; A210-I212 PolarHBondContact O-N 3.01Å; A210-I212 VanDerWaalsContact O-N 3.17Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.24Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.71Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.7Å
211E96.2Very high96.8Very high145 Ų14542 Ų4268%0.67823%0.225SC*.  trans-66.7113-179.4-171.759.5-148.100110.7P209 H262P209-E211 VanDerWaalsContact C-N 3.28Å; P209-E211 PolarHBondContact O-N 3.11Å; E211-H262 PolarHBondContact O-CD2 2.92Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å
212I97.8Very high96.7Very high10 Ų1044.1 Ų44.15%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-148.9143.1-179.5-164.4170.6000109.4P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.05Å; P184-I212 HydrophobicContact CG-CD1 4.09Å; A204-I212 HydrophobicContact CB-CD1 3.71Å; F207-I212 HydrophobicContact CD1-CD1 3.91Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.97Å; F207-I212 HydrophobicContact CE1-CD1 3.8Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.71Å; F207-I212 HydrophobicContact CE2-CD1 3.9Å; F207-I212 HydrophobicContact CE2-CG1 4.39Å; F207-I212 HydrophobicContact CE2-CG2 3.55Å; F207-I212 HydrophobicContact CG-CD1 4Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.83Å; F207-I212 HydrophobicContact CZ-CG2 3.5Å; A210-I212 PolarHBondContact O-N 3.01Å; A210-I212 VanDerWaalsContact O-N 3.17Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.14Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; I212-V260 HydrophobicContact CD1-CG1 3.96Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.47Å; I212-H262 HydrophobicContact CD1-CB 4.29Å; I212-H262 HydrophobicContact CG1-CB 4.06Å
213T97.9Very high96.5Very high58 Ų5844.9 Ų44.936%0.35624%0.244SC..EExtended strand (participates in β ladder)trans-114.5124.5174-61.80000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4Å; T213-V260 WeakPolarHBondContact O-CA 3.3Å; T213-Q261 PolarHBondContact N-O 2.89Å; T213-Q261 PolarHBondContact O-N 3.41Å
214L97.9Very high96Very high7 Ų747.8 Ų47.84%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-118.1122.5172.6-86.961.2000108.3A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.27Å; I212-L214 HydrophobicContact CD1-CD1 3.69Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.14Å; L214-L229 HydrophobicContact CB-CD1 4.1Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CD 4.45Å; L214-K242 HydrophobicContact CD2-CG 4.34Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.24Å; L214-H259 WeakPolarHBondContact CA-O 3.5Å; L214-V260 HydrophobicContact CD1-CG1 4.03Å; L214-V260 HydrophobicContact CD1-CG2 4.48Å; L214-V260 HydrophobicContact CG-CG2 4.29Å
215T97.2Very high95.4Very high40 Ų4056.9 Ų56.925%0.24531%0.309CS..EExtended strand (participates in β ladder)trans-131.1151.1175.558.90000111.3T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4Å; T215-C258 CarbonylContact O-C 3.55Å; T215-C258 WeakPolarHBondContact O-CA 3.13Å; T215-H259 PolarHBondContact N-O 2.64Å; T215-H259 PolarHBondContact O-N 3.5Å
216W97.8Very high94.9Very high2 Ų259.8 Ų59.81%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-107.5138.6171.5-82.4100.4000110.3M188 L200 C202 Q223 A244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.14Å; M188-W216 HydrophobicContact CE-CZ2 3.93Å; M188-W216 HydrophobicContact CE-CZ3 3.56Å; M188-W216 HydrophobicContact SD-CH2 4.05Å; L200-W216 HydrophobicContact CB-CH2 3.59Å; L200-W216 HydrophobicContact CB-CZ2 3.95Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.07Å; L200-W216 HydrophobicContact CD1-CZ3 4.28Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.71Å; W216-Q223 HydrophobicContact CB-CB 4.18Å; W216-Q223 PolarHBondContact O-N 3.41Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 3.45Å; W216-V246 HydrophobicContact CB-CG1 3.72Å; W216-V246 HydrophobicContact CD2-CB 4.48Å; W216-V246 HydrophobicContact CD2-CG1 4.08Å; W216-V246 HydrophobicContact CD2-CG2 3.56Å; W216-V246 HydrophobicContact CE3-CG2 3.79Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.54Å; W216-V246 HydrophobicContact CG-CG2 3.98Å; W216-V246 HydrophobicContact CH2-CG2 4.15Å; W216-V246 HydrophobicContact CZ2-CG2 3.97Å; W216-V246 HydrophobicContact CZ3-CG2 4.09Å; W216-T257 WeakPolarHBondContact CA-O 3.5Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.18Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.18Å; W216-C258 HydrophobicContact CZ2-CB 4.13Å; W216-C258 HydrophobicContact CZ3-CB 4.18Å
217Q97.6Very high94.7Very high42 Ų4259.7 Ų59.720%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-125146.6171.8-67.6-173.2-12.200110.2E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.21Å; Q217-D222 VanDerWaalsContact CG-OD1 3.31Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.43Å; Q217-D222 PolarHBondContact NE2-OD1 3.2Å; Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.33Å; Q217-T257 PolarHBondContact N-O 3.04Å; Q217-T257 PolarHBondContact O-N 3.45Å; Q217-H259 PolarHBondContact OE1-NE2 3.19Å
218R96.8Very high94.7Very high81 Ų8165.1 Ų65.131%0.30635%0.345SS..EExtended strand (participates in β ladder)trans-117.8117.9167.3-178.9-17965.7-164.3-5.3108.3G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.03Å; R218-E221 PolarHBondContact N-O 3.06Å; R218-E221 PolarHBondContact O-N 3.27Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; R218-R255 WeakPolarHBondContact CA-O 3.42Å; R218-R255 HydrophobicContact CG-CB 4.28Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.97Å; R218-Y256 WeakPolarHBondContact CD-OH 3.2Å; R218-Y256 HydrophobicContact CG-CD2 4.41Å; R218-Y256 HydrophobicContact CG-CE1 4.25Å; R218-Y256 HydrophobicContact CG-CE2 4.08Å
219D94.6Very high94.7Very high99 Ų9969.2 Ų69.253%0.52937%0.366SS..THydrogen-bonded Turntrans50.229.9-175.5-55.6-44.8000114.2R255D219-R255 PolarHBondContact N-O 2.92Å; D219-R255 IonicContact OD1-NE 2.72Å; D219-R255 IonicContact OD2-CZ 3.65Å; D219-R255 IonicContact OD2-NE 3.6Å; D219-R255 PolarHBondContact OD2-NE 3.4Å; D219-R255 IonicContact OD2-NH2 3.97Å; D219-R255 PolarHBondContact OD2-NH2 3.44Å
220G91.8Very high94.8Very high49 Ų4969.8 Ų69.851%0.50537%0.369SS..THydrogen-bonded Turntrans90.8-2.4-177.600000115.7R218R218-G220 PolarHBondContact O-N 3.03Å
221E95.3Very high94.8Very high131 Ų13177.2 Ų77.261%0.61240%0.401SS*.EExtended strand (participates in β ladder)trans-95.8127.8175.6-63.2-174.3166.600111.8Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.21Å; R218-E221 PolarHBondContact N-O 3.06Å; R218-E221 PolarHBondContact O-N 3.27Å; E221-Q223 PolarHBondContact O-NE2 3.31Å
222D95.4Very high94.9Very high98 Ų9872.5 Ų72.552%0.52438%0.382SS..EExtended strand (participates in β ladder)trans-61.4136.6-179.7-69.2-24.6000112.6Q217Q217-D222 VanDerWaalsContact CG-OD1 3.31Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.43Å; Q217-D222 PolarHBondContact NE2-OD1 3.2Å
223Q94.7Very high94.9Very high15 Ų1576.7 Ų76.77%0.0740%0.397CS..  trans-108.833.2-177.1-58.7-60-70.100112.8W216 R218 E221 Q225 D226 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.18Å; W216-Q223 PolarHBondContact O-N 3.41Å; R218-Q223 HydrophobicContact CB-CG 4.01Å; E221-Q223 PolarHBondContact O-NE2 3.31Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.27Å; Q223-D226 PolarHBondContact O-N 3.16Å; Q223-D226 VanDerWaalsContact O-N 3.15Å; Q223-T227 WeakPolarHBondContact O-CB 3.34Å; Q223-T227 PolarHBondContact O-N 2.9Å; Q223-T227 VanDerWaalsContact O-N 3.12Å; Q223-T227 PolarHBondContact O-OG1 3.05Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å
224T87.3Confident94.8Very high106 Ų10678.3 Ų78.365%0.6541%0.409SS*.THydrogen-bonded Turntrans-57.1-35.5-168.9-49.70000114.4
225Q87.3Confident94.7Very high191 Ų19180.4 Ų80.489%0.89343%0.427SS*.THydrogen-bonded Turntrans-75.8-30.7-179-67.1-173.63.800113.3Q223 T227Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.27Å; Q225-T227 VanDerWaalsContact C-N 3.35Å
226D86.3Confident94.5Very high115 Ų11582.2 Ų82.262%0.61545%0.454SS*.THydrogen-bonded Turntrans-95.32.4-177.8-56.7-48.8000112.2Q223Q223-D226 PolarHBondContact O-N 3.16Å; Q223-D226 VanDerWaalsContact O-N 3.15Å
227T94Very high94.2Very high23 Ų2387.3 Ų87.314%0.14148%0.481CS..EExtended strand (participates in β ladder)trans-95.1120.9-179.9-620000110.8Q223 Q225 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.34Å; Q223-T227 PolarHBondContact O-N 2.9Å; Q223-T227 VanDerWaalsContact O-N 3.12Å; Q223-T227 PolarHBondContact O-OG1 3.05Å; Q225-T227 VanDerWaalsContact C-N 3.35Å; T227-L229 HydrophobicContact CG2-CB 4.33Å; T227-L229 PolarHBondContact O-N 3.26Å; T227-A244 HydrophobicContact CG2-CB 4Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 WeakPolarHBondContact CA-O 3.35Å; T227-V246 HydrophobicContact CG2-CG1 4.36Å; T227-V246 VanDerWaalsContact OG1-CG1 3.28Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.44Å
228E96.1Very high93.8Very high115 Ų11587.2 Ų87.254%0.53749%0.491SS..EExtended strand (participates in β ladder)trans-77.5105162.9-172.8-174.7-170.900108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 HydrophobicContact CG-CH2 3.86Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.33Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.38Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.38Å; E228-A245 HydrophobicContact CB-CB 4.4Å; E228-A245 PolarHBondContact N-O 2.88Å; E228-A245 PolarHBondContact O-N 2.99Å
229L96.5Very high93.7Very high90 Ų9084 Ų8447%0.47148%0.481SS..EExtended strand (participates in β ladder)trans-111.1120178.5-175.267.6000110.1L214 T227 A244L214-L229 HydrophobicContact CB-CD1 4.1Å; T227-L229 HydrophobicContact CG2-CB 4.33Å; T227-L229 PolarHBondContact O-N 3.26Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
230V96.6Very high93.9Very high32 Ų3280.5 Ų80.519%0.19446%0.461CS..PPolyproline II helixtrans-85.5152.8175-59.30000112K242 W243V230-K242 HydrophobicContact CG2-CG 4.39Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CG 3.5Å; V230-K242 PolarHBondContact O-NZ 2.87Å; V230-W243 HydrophobicContact CB-CZ2 4.43Å; V230-W243 HydrophobicContact CG1-CD2 3.9Å; V230-W243 HydrophobicContact CG1-CE3 4.19Å; V230-W243 HydrophobicContact CG1-CH2 3.53Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.02Å; V230-W243 HydrophobicContact CG2-CD2 3.87Å; V230-W243 HydrophobicContact CG2-CG 3.84Å; V230-W243 HydrophobicContact CG2-CZ2 4.5Å; V230-W243 WeakPolarHBondContact CG2-O 3.25Å; V230-W243 PolarHBondContact N-O 3.02Å
231E96.6Very high94.2Very high172 Ų17280.3 Ų80.380%0.80445%0.447SS*.PPolyproline II helixtrans-58.6150.1167.9-66.5-171.5156.100111.2R233E231-R233 PolarHBondContact O-N 2.73Å
232T97.8Very high94.4Very high46 Ų4675 Ų7528%0.28242%0.422SS..PPolyproline II helixtrans-67.2130.7174.4-56.30000108.6F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.07Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.29Å; A210-T232 WeakPolarHBondContact O-CG2 3.24Å; T232-F240 HydrophobicContact CG2-CB 3.76Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.1Å; T232-K242 PolarHBondContact OG1-NZ 3.24Å
233R96.9Very high94.5Very high98 Ų9871.6 Ų71.637%0.3740%0.402SS..EExtended strand (participates in β ladder)trans-126.1145.4-175.868.2-169.1-178.6-171.23.5111.4E231 F240 Q241E231-R233 PolarHBondContact O-N 2.73Å; R233-F240 WeakPolarHBondContact O-CA 3.39Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 2.88Å; R233-Q241 WeakPolarHBondContact O-CG 3.47Å; R233-Q241 PolarHBondContact O-N 3.23Å
234P96.6Very high94.6Very high93 Ų9370.9 Ų70.960%0.60440%0.398SS*.EExtended strand (participates in β ladder)trans-68.1145177.428.4-34.4000111.1F240P234-F240 HydrophobicContact CB-CE1 4.31Å
235A96.2Very high95.1Very high50 Ų5065.9 Ų65.941%0.41337%0.368SS..  trans-88-17.8173.100000113T239A235-T239 PolarHBondContact N-O 2.84Å
236G92.8Very high95.6Very high78 Ų7857 Ų5780%0.80433%0.326SS*.SBendtrans97.9-7.1179.100000114.8
237D90.8Very high96.1Very high110 Ų11054.9 Ų54.959%0.58832%0.318SS*.SBendtrans-107.11517761.8-0.5000112.8T239D237-T239 VanDerWaalsContact C-N 3.34Å; D237-T239 WeakPolarHBondContact OD1-CB 3.39Å; D237-T239 PolarHBondContact OD1-N 2.88Å; D237-T239 PolarHBondContact OD1-OG1 2.73Å
238G89.8Confident96.2Very high39 Ų3953.8 Ų53.840%0.40231%0.311SS..SBendtrans82.67.1-174.200000114.4R180 Y208R180-G238 PolarHBondContact NH2-O 2.84Å; Y208-G238 WeakPolarHBondContact CD2-O 3.33Å
239T95.4Very high96.2Very high15 Ų1550.5 Ų50.59%0.09230%0.299CS..  trans-109.4173.1170.573.80000112.1F207 A235 D237F207-T239 WeakPolarHBondContact O-CA 3.38Å; A235-T239 PolarHBondContact N-O 2.84Å; D237-T239 VanDerWaalsContact C-N 3.34Å; D237-T239 WeakPolarHBondContact OD1-CB 3.39Å; D237-T239 PolarHBondContact OD1-N 2.88Å; D237-T239 PolarHBondContact OD1-OG1 2.73Å
240F97.6Very high96Very high24 Ų2448.9 Ų48.911%0.10530%0.296CS..EExtended strand (participates in β ladder)trans-120.7162.6-177.5-63.2-85.3000112.3D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.79Å; D29-F240 HydrophobicContact CB-CZ 3.64Å; G206-F240 PolarHBondContact N-O 3.32Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.46Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.4Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.49Å; F207-F240 HydrophobicContact CG-CB 4.49Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 2.88Å; F207-F240 PolarHBondContact O-N 2.69Å; Y208-F240 HydrophobicContact CD2-CD2 4.34Å; Y208-F240 AromaticContact CD2-CE2 3.88Å; Y208-F240 HydrophobicContact CD2-CE2 3.88Å; Y208-F240 HydrophobicContact CE2-CE2 4.29Å; A210-F240 HydrophobicContact CB-CD1 3.73Å; A210-F240 HydrophobicContact CB-CD2 3.75Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.71Å; A210-F240 HydrophobicContact CB-CG 3.79Å; A210-F240 HydrophobicContact CB-CZ 3.7Å; T232-F240 HydrophobicContact CG2-CB 3.76Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.1Å; R233-F240 WeakPolarHBondContact O-CA 3.39Å; P234-F240 HydrophobicContact CB-CE1 4.31Å
241Q98.2Very high95.7Very high45 Ų4550.5 Ų50.521%0.2132%0.319CS..EExtended strand (participates in β ladder)trans-141.2147.3174.346.7169.9-30.700110.1A204 L205 R233A204-Q241 CarbonylContact O-C 3.59Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.45Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å; R233-Q241 HydrophobicContact CG-CG 3.55Å; R233-Q241 PolarHBondContact N-O 2.88Å; R233-Q241 WeakPolarHBondContact O-CG 3.47Å; R233-Q241 PolarHBondContact O-N 3.23Å
242K98.5Very high95.6Very high21 Ų2145.2 Ų45.29%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-151.7154.3176.9-162.5-176.7-172.971.30109A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 3.16Å; A204-K242 PolarHBondContact O-N 3.07Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.22Å; I212-K242 HydrophobicContact CG2-CD 3.54Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.34Å; L214-K242 HydrophobicContact CD2-CD 4.45Å; L214-K242 HydrophobicContact CD2-CG 4.34Å; V230-K242 HydrophobicContact CG2-CG 4.39Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CG 3.5Å; V230-K242 PolarHBondContact O-NZ 2.87Å; T232-K242 PolarHBondContact OG1-NZ 3.24Å
243W98.2Very high95.4Very high25 Ų2544 Ų4410%0.09529%0.286CS..EExtended strand (participates in β ladder)trans-143.6157169.459.4-99.5000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.14Å; R201-W243 HydrophobicContact CG-CE3 3.89Å; R201-W243 HydrophobicContact CG-CG 4.25Å; C202-W243 CarbonylContact O-C 3.53Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 2.86Å; W203-W243 HydrophobicContact CD2-CB 3.94Å; W203-W243 HydrophobicContact CD2-CG 4.44Å; W203-W243 HydrophobicContact CE3-CB 3.85Å; W203-W243 AromaticContact CE3-CD1 3.83Å; W203-W243 HydrophobicContact CE3-CG 4.14Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.69Å; W203-W243 HydrophobicContact CH2-CG 4.31Å; W203-W243 HydrophobicContact CZ3-CB 4.3Å; W203-W243 AromaticContact CZ3-CD1 3.39Å; W203-W243 HydrophobicContact CZ3-CG 4.09Å; E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 HydrophobicContact CG-CH2 3.86Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.33Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.38Å; V230-W243 HydrophobicContact CB-CZ2 4.43Å; V230-W243 HydrophobicContact CG1-CD2 3.9Å; V230-W243 HydrophobicContact CG1-CE3 4.19Å; V230-W243 HydrophobicContact CG1-CH2 3.53Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.02Å; V230-W243 HydrophobicContact CG2-CD2 3.87Å; V230-W243 HydrophobicContact CG2-CG 3.84Å; V230-W243 HydrophobicContact CG2-CZ2 4.5Å; V230-W243 WeakPolarHBondContact CG2-O 3.25Å; V230-W243 PolarHBondContact N-O 3.02Å; W243-A245 HydrophobicContact CE3-CB 3.98Å; W243-A245 HydrophobicContact CZ3-CB 3.68Å
244A98.1Very high95.3Very high0 Ų043.9 Ų43.90%029%0.289CS..EExtended strand (participates in β ladder)trans-131133.4173.900000108.6R201 C202 L214 W216 T227 E228 L229R201-A244 WeakPolarHBondContact CA-O 3.19Å; C202-A244 PolarHBondContact N-O 2.81Å; C202-A244 PolarHBondContact O-N 2.83Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.24Å; W216-A244 VanDerWaalsContact NE1-C 3.33Å; W216-A244 PolarHBondContact NE1-O 3.45Å; T227-A244 HydrophobicContact CG2-CB 4Å; E228-A244 CarbonylContact O-C 3.52Å; E228-A244 WeakPolarHBondContact O-CA 3.38Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
245A97.6Very high95.2Very high2 Ų244.4 Ų44.42%0.01728%0.279CS..EExtended strand (participates in β ladder)trans-126.1146.7-179.600000112.1T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.84Å; L200-A245 CarbonylContact O-C 3.56Å; L200-A245 WeakPolarHBondContact O-CA 3.33Å; R201-A245 HydrophobicContact CB-CB 3.95Å; R201-A245 HydrophobicContact CG-CB 4.11Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 WeakPolarHBondContact CA-O 3.35Å; E228-A245 HydrophobicContact CB-CB 4.4Å; E228-A245 PolarHBondContact N-O 2.88Å; E228-A245 PolarHBondContact O-N 2.99Å; W243-A245 HydrophobicContact CE3-CB 3.98Å; W243-A245 HydrophobicContact CZ3-CB 3.68Å
246V97.6Very high95.3Very high3 Ų342.4 Ų42.42%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-133.3145.2174.5-72.80000109.3T199 L200 W216 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.49Å; L200-V246 HydrophobicContact CB-CG2 4.25Å; L200-V246 PolarHBondContact N-O 3.45Å; L200-V246 PolarHBondContact O-N 2.91Å; W216-V246 HydrophobicContact CB-CG1 3.72Å; W216-V246 HydrophobicContact CD2-CB 4.48Å; W216-V246 HydrophobicContact CD2-CG1 4.08Å; W216-V246 HydrophobicContact CD2-CG2 3.56Å; W216-V246 HydrophobicContact CE3-CG2 3.79Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.54Å; W216-V246 HydrophobicContact CG-CG2 3.98Å; W216-V246 HydrophobicContact CH2-CG2 4.15Å; W216-V246 HydrophobicContact CZ2-CG2 3.97Å; W216-V246 HydrophobicContact CZ3-CG2 4.09Å; T227-V246 HydrophobicContact CG2-CG1 4.36Å; T227-V246 VanDerWaalsContact OG1-CG1 3.28Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.44Å; V246-V248 HydrophobicContact CB-CG1 4.45Å; V246-V248 HydrophobicContact CG2-CG1 3.79Å; V246-Y256 HydrophobicContact CG2-CD1 4.05Å; V246-Y256 HydrophobicContact CG2-CE1 4.48Å
247V97.1Very high95.5Very high72 Ų7239.2 Ų39.244%0.43623%0.226SC..EExtended strand (participates in β ladder)trans-84.6128.8167.6-179.50000107.9I193 E197 A198I193-V247 HydrophobicContact CD1-CG1 4.08Å; I193-V247 HydrophobicContact CD1-CG2 4.11Å; E197-V247 HydrophobicContact CB-CG1 4.09Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; A198-V247 WeakPolarHBondContact O-CA 3.42Å
248V96.2Very high95.8Very high0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-126.5142.6-177.5-53.30000110.3E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.3Å; A198-V248 PolarHBondContact N-O 3.46Å; A198-V248 PolarHBondContact O-N 2.74Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 3.99Å; L200-V248 HydrophobicContact CG-CG1 4.23Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; V246-V248 HydrophobicContact CB-CG1 4.45Å; V246-V248 HydrophobicContact CG2-CG1 3.79Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.78Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.61Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CG 3.65Å
249P95.9Very high96.2Very high45 Ų4533.6 Ų33.629%0.29219%0.186SC..EExtended strand (participates in β ladder)trans-62.2142.6170-20.432.5000111.2H196 G251 E252H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.49Å; P249-G251 PolarHBondContact O-N 3.5Å; P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.07Å; P249-E252 HydrophobicContact CG-CG 4.47Å; P249-E252 WeakPolarHBondContact O-CB 3.32Å; P249-E252 PolarHBondContact O-N 2.04Å
250S91.4Very high96.3Very high57 Ų5732.9 Ų32.940%0.39918%0.181SC..THydrogen-bonded Turntrans-59.3128.6176.6-63.80000111.2D195 H196 E197 E252 E253D195-S250 PolarHBondContact O-OG 3.29Å; H196-S250 PolarHBondContact O-N 2.8Å; H196-S250 PolarHBondContact O-OG 2.91Å; E197-S250 PolarHBondContact N-OG 3.49Å; S250-E252 VanDerWaalsContact C-N 3.33Å; S250-E253 WeakPolarHBondContact CA-OE1 3.48Å
251G90.6Very high96.4Very high66 Ų6636.6 Ų36.668%0.6820%0.199SC*.THydrogen-bonded Turntrans88.9-7.6-17700000114.6P249 E253P249-G251 PolarHBondContact O-N 3.5Å; G251-E253 WeakPolarHBondContact CA-OE2 3.03Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 2.91Å; G251-E253 PolarHBondContact N-OE2 3.27Å
252E94.6Very high96.3Very high61 Ų6135.1 Ų35.129%0.28519%0.192SC..  trans-98.22.4175.8-64.5-162-160.700113.5P249 S250 Q254 R255 Y256P249-E252 HydrophobicContact CB-CB 4.29Å; P249-E252 HydrophobicContact CB-CG 4.07Å; P249-E252 HydrophobicContact CG-CG 4.47Å; P249-E252 WeakPolarHBondContact O-CB 3.32Å; P249-E252 PolarHBondContact O-N 2.04Å; S250-E252 VanDerWaalsContact C-N 3.33Å; E252-Q254 PolarHBondContact O-N 2.85Å; E252-R255 VanDerWaalsContact CD-NH1 3.33Å; E252-R255 WeakPolarHBondContact O-CB 3.05Å; E252-R255 PolarHBondContact O-N 2.91Å; E252-R255 IonicContact OE1-NH1 3.85Å; E252-R255 IonicContact OE2-CZ 2.84Å; E252-R255 IonicContact OE2-NE 3.12Å; E252-R255 IonicContact OE2-NH1 3.36Å; E252-R255 PolarHBondContact OE2-NH1 2.99Å; E252-Y256 HydrophobicContact CB-CE2 4.34Å; E252-Y256 WeakPolarHBondContact O-CD2 3.43Å
253E94.1Very high96.2Very high20 Ų2041.3 Ų41.39%0.09322%0.221CC..G310 helixtrans-55.1-34.2-172.3-5980.8-178.200112.7H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.56Å; L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.39Å; L200-E253 HydrophobicContact CD2-CG 4.4Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.48Å; G251-E253 WeakPolarHBondContact CA-OE2 3.03Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 2.91Å; G251-E253 PolarHBondContact N-OE2 3.27Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.48Å; E253-Y256 PolarHBondContact O-N 2.9Å; E253-W273 HydrophobicContact CB-CD2 4.27Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.02Å
254Q93.7Very high96Very high95 Ų9540.9 Ų40.944%0.44422%0.224SC..G310 helixtrans-70.5-19.2-179.8-64.3-57.2-45.500114.2E252 W273E252-Q254 PolarHBondContact O-N 2.85Å; Q254-W273 PolarHBondContact NE2-O 3.25Å
255R95.7Very high95.9Very high104 Ų10442 Ų4239%0.39223%0.23SC..G310 helixtrans-76.7-17.6176-61.7174.567.4-176.66.5111.9R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.42Å; R218-R255 HydrophobicContact CG-CB 4.28Å; D219-R255 PolarHBondContact N-O 2.92Å; D219-R255 IonicContact OD1-NE 2.72Å; D219-R255 IonicContact OD2-CZ 3.65Å; D219-R255 IonicContact OD2-NE 3.6Å; D219-R255 PolarHBondContact OD2-NE 3.4Å; D219-R255 IonicContact OD2-NH2 3.97Å; D219-R255 PolarHBondContact OD2-NH2 3.44Å; E252-R255 VanDerWaalsContact CD-NH1 3.33Å; E252-R255 WeakPolarHBondContact O-CB 3.05Å; E252-R255 PolarHBondContact O-N 2.91Å; E252-R255 IonicContact OE1-NH1 3.85Å; E252-R255 IonicContact OE2-CZ 2.84Å; E252-R255 IonicContact OE2-NE 3.12Å; E252-R255 IonicContact OE2-NH1 3.36Å; E252-R255 PolarHBondContact OE2-NH1 2.99Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.48Å
256Y96.9Very high95.8Very high9 Ų948.3 Ų48.34%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-96.3130.7-177.3-69.9-102000111.3Q217 R218 Q223 V246 V248 E252 E253Q217-Y256 CarbonylContact O-C 3.55Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.33Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.97Å; R218-Y256 WeakPolarHBondContact CD-OH 3.2Å; R218-Y256 HydrophobicContact CG-CD2 4.41Å; R218-Y256 HydrophobicContact CG-CE1 4.25Å; 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 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.78Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.61Å; V248-Y256 HydrophobicContact CG1-CE1 3.67Å; V248-Y256 HydrophobicContact CG1-CE2 3.61Å; V248-Y256 HydrophobicContact CG1-CG 3.65Å; E252-Y256 HydrophobicContact CB-CE2 4.34Å; E252-Y256 WeakPolarHBondContact O-CD2 3.43Å; E253-Y256 PolarHBondContact O-N 2.9Å
257T97.6Very high95.7Very high10 Ų1055.9 Ų55.96%0.06130%0.304CS..EExtended strand (participates in β ladder)trans-123.6134.4175.946.50000110.9W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.5Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; Q217-T257 PolarHBondContact N-O 3.04Å; Q217-T257 PolarHBondContact O-N 3.45Å; T257-H259 PolarHBondContact OG1-NE2 2.88Å; T257-T270 HydrophobicContact CG2-CG2 3.87Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 WeakPolarHBondContact CA-O 3.44Å; T257-R272 HydrophobicContact CG2-CG 3.51Å; T257-R272 VanDerWaalsContact CG2-NE 3.27Å
258C97.9Very high95.7Very high0 Ų056.2 Ų56.20%031%0.307CS..EExtended strand (participates in β ladder)trans-95.3128.4168.8174.40000109.6M188 C202 T215 W216 T270 L271M188-C258 HydrophobicContact CE-CB 3.43Å; M188-C258 VanDerWaalsContact CE-CB 3.43Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.42Å; C202-C258 WeakPolarHBondContact SG-CB 3.38Å; C202-C258 CovalentContact SG-SG 2.04Å; C202-C258 PolarHBondContact SG-SG 3.39Å; T215-C258 CarbonylContact O-C 3.55Å; T215-C258 WeakPolarHBondContact O-CA 3.13Å; W216-C258 HydrophobicContact CD2-CB 4.18Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.18Å; W216-C258 HydrophobicContact CZ2-CB 4.13Å; W216-C258 HydrophobicContact CZ3-CB 4.18Å; C258-T270 CarbonylContact O-C 3.53Å; C258-T270 WeakPolarHBondContact O-CA 3.37Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.45Å; C258-L271 PolarHBondContact O-N 3.47Å
259H97.8Very high95.8Very high32 Ų3259.1 Ų59.115%0.14832%0.322CS..EExtended strand (participates in β ladder)trans-107.1129.6177.1-62.9-103.5000109.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.5Å; T215-H259 PolarHBondContact N-O 2.64Å; T215-H259 PolarHBondContact O-N 3.5Å; Q217-H259 PolarHBondContact OE1-NE2 3.19Å; T257-H259 PolarHBondContact OG1-NE2 2.88Å; H259-L269 WeakPolarHBondContact CA-O 3.29Å; H259-T270 PolarHBondContact ND1-OG1 3.1Å
260V98.2Very high95.8Very high0 Ų060.9 Ų60.90%033%0.332CS..EExtended strand (participates in β ladder)trans-122.3120-178.6-1750000109P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.96Å; T186-V260 HydrophobicContact CG2-CG1 4.3Å; T186-V260 HydrophobicContact CG2-CG2 4.13Å; I212-V260 HydrophobicContact CD1-CG1 3.96Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; T213-V260 WeakPolarHBondContact O-CA 3.3Å; L214-V260 HydrophobicContact CD1-CG1 4.03Å; L214-V260 HydrophobicContact CD1-CG2 4.48Å; L214-V260 HydrophobicContact CG-CG2 4.29Å; V260-L265 HydrophobicContact CG1-CD1 4.21Å; V260-P268 WeakPolarHBondContact O-CA 3.29Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 2.78Å; V260-L269 PolarHBondContact O-N 2.68Å; V260-L271 HydrophobicContact CG2-CD1 4.01Å
261Q98.2Very high96Very high101 Ų10159.9 Ų59.947%0.47232%0.322SS..EExtended strand (participates in β ladder)trans-116.2129.2174.2-50.7-176.823.200109.3I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.47Å; T213-Q261 PolarHBondContact N-O 2.89Å; T213-Q261 PolarHBondContact O-N 3.41Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
262H97.6Very high96.2Very high14 Ų1464 Ų647%0.06532%0.318CS..EExtended strand (participates in β ladder)trans-155.5145.4-178.9-176.2-100.1000108.6D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 3.47Å; P184-H262 HydrophobicContact CG-CB 4.14Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.62Å; Y208-H262 PolarHBondContact O-CE1 3.29Å; P209-H262 PolarHBondContact O-NE2 3.46Å; E211-H262 PolarHBondContact O-CD2 2.92Å; E211-H262 VanDerWaalsContact O-CD2 3.29Å; I212-H262 HydrophobicContact CD1-CB 4.29Å; I212-H262 HydrophobicContact CG1-CB 4.06Å; H262-G264 VanDerWaalsContact C-N 3.26Å; H262-G264 PolarHBondContact ND1-N 3.44Å; H262-G264 PolarHBondContact O-N 3Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.46Å; H262-L265 PolarHBondContact O-N 3.22Å
263E94.6Very high96.1Very high151 Ų15163.3 Ų63.371%0.70631%0.312SS*.THydrogen-bonded Turntrans-60.4-35.5-178-175.4175.5160.300112.9T181 L265T181-E263 HydrophobicContact CG2-CG 4.21Å; E263-L265 PolarHBondContact O-N 3.43Å
264G94.3Very high95.7Very high16 Ų1670 Ų7017%0.16534%0.344CS..THydrogen-bonded Turntrans-68.6-6.3174.700000115H262H262-G264 VanDerWaalsContact C-N 3.26Å; H262-G264 PolarHBondContact ND1-N 3.44Å; H262-G264 PolarHBondContact O-N 3Å
265L96.8Very high94.9Very high25 Ų2569.3 Ų69.313%0.13135%0.348CS..SBendtrans-97.6127.9175.4-65.9170.4000110.3P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.93Å; P184-L265 HydrophobicContact CG-CD1 3.86Å; P184-L265 HydrophobicContact CG-CD2 4.41Å; P184-L265 HydrophobicContact CG-CG 4.19Å; V260-L265 HydrophobicContact CG1-CD1 4.21Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.46Å; H262-L265 PolarHBondContact O-N 3.22Å; E263-L265 PolarHBondContact O-N 3.43Å; L265-K267 WeakPolarHBondContact CB-O 3.42Å; L265-K267 PolarHBondContact O-N 2.96Å; L265-L269 HydrophobicContact CD1-CD1 3.91Å; L265-L269 HydrophobicContact CD1-CG 3.85Å; L265-L269 HydrophobicContact CD2-CD1 3.68Å; L265-L269 HydrophobicContact CD2-CG 3.96Å; L265-L269 HydrophobicContact CG-CD1 4.47Å
266P95.3Very high93.4Very high134 Ų13468.9 Ų68.987%0.8736%0.36SS*.SBendtrans-65.9-25.117827.1-34.7000112.6
267K96.3Very high91.1Very high162 Ų16273.8 Ų73.870%0.70440%0.396SS*.SBendtrans-146.8151.3173.8-64.4-176.2-177.7177.70109.2L265 L269L265-K267 WeakPolarHBondContact CB-O 3.42Å; L265-K267 PolarHBondContact O-N 2.96Å; K267-L269 PolarHBondContact O-N 3.33Å
268P96.8Very high88.6Confident79 Ų7980.9 Ų80.951%0.51343%0.428SS..  trans-51.3136.9171.5-28.436.7000112.1V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.29Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.12Å
269L97.2Very high86Confident60 Ų6086 Ų8631%0.31446%0.461SS..EExtended strand (participates in β ladder)trans-87.4143.1172.7-65.5176.5000109.8T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.33Å; H259-L269 WeakPolarHBondContact CA-O 3.29Å; V260-L269 HydrophobicContact CB-CB 4.32Å; V260-L269 PolarHBondContact N-O 2.78Å; V260-L269 PolarHBondContact O-N 2.68Å; L265-L269 HydrophobicContact CD1-CD1 3.91Å; L265-L269 HydrophobicContact CD1-CG 3.85Å; L265-L269 HydrophobicContact CD2-CD1 3.68Å; L265-L269 HydrophobicContact CD2-CG 3.96Å; L265-L269 HydrophobicContact CG-CD1 4.47Å; K267-L269 PolarHBondContact O-N 3.33Å
270T97.1Very high83.8Confident82 Ų8290.9 Ų90.950%0.50349%0.494SS..EExtended strand (participates in β ladder)trans-122.3118.3170.7-570000107.9T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.87Å; C258-T270 CarbonylContact O-C 3.53Å; C258-T270 WeakPolarHBondContact O-CA 3.37Å; H259-T270 PolarHBondContact ND1-OG1 3.1Å
271L95.9Very high81.7Confident36 Ų3694.5 Ų94.519%0.18852%0.516CS..EExtended strand (participates in β ladder)trans-109.6137.4-176.3-63.3157.1000108.9T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.07Å; M188-L271 HydrophobicContact CE-CB 3.87Å; M188-L271 VanDerWaalsContact CE-O 3.3Å; M188-L271 WeakPolarHBondContact CE-O 3.14Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 WeakPolarHBondContact CA-O 3.44Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 3.45Å; C258-L271 PolarHBondContact O-N 3.47Å; V260-L271 HydrophobicContact CG2-CD1 4.01Å
272R94.1Very high79.6Confident154 Ų15493.8 Ų93.858%0.58152%0.52SS*.EExtended strand (participates in β ladder)trans-117.5153167.3-72.9-176.1178.4161.8-0.9108.7T257 E274T257-R272 HydrophobicContact CG2-CG 3.51Å; T257-R272 VanDerWaalsContact CG2-NE 3.27Å; R272-E274 PolarHBondContact O-N 2.92Å
273W92.4Very high77.7Confident45 Ų4598.8 Ų98.817%0.1755%0.546CS..  trans-72.3127.1175.1174.171.7000108.8M188 H190 L200 E253 Q254 P275M188-W273 WeakPolarHBondContact SD-CA 3.19Å; M188-W273 HydrophobicContact SD-CB 3.75Å; M188-W273 PolarHBondContact SD-N 3.32Å; H190-W273 HydrophobicContact CB-CZ2 4.15Å; H190-W273 VanDerWaalsContact CB-NE1 3.25Å; H190-W273 AromaticContact CG-CE2 3.96Å; H190-W273 AromaticContact CG-CZ2 3.96Å; H190-W273 AromaticContact CG-NE1 3.98Å; L200-W273 HydrophobicContact CD1-CB 4.2Å; L200-W273 HydrophobicContact CD2-CB 3.83Å; L200-W273 HydrophobicContact CD2-CD2 4.28Å; L200-W273 HydrophobicContact CD2-CG 3.7Å; E253-W273 HydrophobicContact CB-CD2 4.27Å; E253-W273 HydrophobicContact CB-CE3 3.48Å; E253-W273 VanDerWaalsContact CB-CE3 3.48Å; E253-W273 HydrophobicContact CB-CZ3 3.96Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.02Å; Q254-W273 PolarHBondContact NE2-O 3.25Å; W273-P275 HydrophobicContact CE3-CG 4.37Å; W273-P275 HydrophobicContact CH2-CB 3.93Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.11Å; W273-P275 HydrophobicContact CZ2-CG 4.23Å; W273-P275 HydrophobicContact CZ3-CB 4.49Å; W273-P275 HydrophobicContact CZ3-CG 3.75Å
274E84.6Confident75.9Confident161 Ų16197.2 Ų97.275%0.75255%0.547SS*.  trans-111.2127.5170.7-71.8-177.8174.300108.4R272 S276R272-E274 PolarHBondContact O-N 2.92Å; E274-S276 PolarHBondContact O-N 2.88Å
275P78.4Confident74.3Confident81 Ų8198.5 Ų98.553%0.52656%0.56SS.*  trans-57128.1171.5-15.624.9000108.7W273 S277W273-P275 HydrophobicContact CE3-CG 4.37Å; W273-P275 HydrophobicContact CH2-CB 3.93Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.11Å; W273-P275 HydrophobicContact CZ2-CG 4.23Å; W273-P275 HydrophobicContact CZ3-CB 4.49Å; W273-P275 HydrophobicContact CZ3-CG 3.75Å; P275-S277 PolarHBondContact O-N 3.45Å
276S63.2Low72.9Confident95 Ų95101.9 Ų101.966%0.66458%0.577SS**  trans-53.9110.3177.1123.90000109E274 Q278E274-S276 PolarHBondContact O-N 2.88Å; S276-Q278 PolarHBondContact O-N 3.47Å
277S48.8Very low71.6Confident111 Ų111100.2 Ų100.278%0.77656%0.56SS**  trans-76.965.1167.462.90000108.4P275 P279P275-S277 PolarHBondContact O-N 3.45Å; S277-P279 WeakPolarHBondContact O-CD 3.49Å
278Q45.9Very low70.3Confident159 Ų15994.8 Ų94.874%0.74355%0.545SS*.  trans-70.5111.3155.4-79.6-169.6-11.700105.1S276 T280S276-Q278 PolarHBondContact O-N 3.47Å; Q278-T280 PolarHBondContact O-N 3.15Å
279P43.3Very low69.2Low107 Ų10792.5 Ų92.570%0.69554%0.535SS*.  trans-59.3116.8165.325.4-29.6000104.9S277 V281S277-P279 WeakPolarHBondContact O-CD 3.49Å; P279-V281 HydrophobicContact CB-CG2 4.28Å; P279-V281 HydrophobicContact CG-CG2 4.29Å; P279-V281 PolarHBondContact O-N 3.42Å
280T51Low68.4Low136 Ų13695 Ų9583%0.83455%0.549SS*.  trans-63.876.7160.2-40.60000105.3Q278 P282Q278-T280 PolarHBondContact O-N 3.15Å; T280-P282 VanDerWaalsContact O-CD 3.22Å; T280-P282 WeakPolarHBondContact O-CD 3.43Å
281V52.8Low67.5Low76 Ų7695.7 Ų95.746%0.46155%0.553SS.*  trans-55.3117166.3178.20000103P279 I283 I286P279-V281 HydrophobicContact CB-CG2 4.28Å; P279-V281 HydrophobicContact CG-CG2 4.29Å; P279-V281 PolarHBondContact O-N 3.42Å; V281-I283 PolarHBondContact O-N 2.66Å; V281-I286 HydrophobicContact CG1-CD1 3.7Å
282P54.8Low66.5Low86 Ų8699.7 Ų99.756%0.55857%0.573SS**  trans-71.787-177.928.8-31.1000105.9T280 V284 G285 I286T280-P282 VanDerWaalsContact O-CD 3.22Å; T280-P282 WeakPolarHBondContact O-CD 3.43Å; P282-V284 PolarHBondContact O-N 3.36Å; P282-V284 VanDerWaalsContact O-N 3.07Å; P282-G285 WeakPolarHBondContact O-CA 3.34Å; P282-G285 PolarHBondContact O-N 3.5Å; P282-I286 PolarHBondContact O-N 2.74Å
283I58.9Low65.7Low118 Ų11897.5 Ų97.561%0.60557%0.573SS**Hα-helixtrans-52.6-32.3176.3-68.5168.6000108.7V281 G285 I286 I287V281-I283 PolarHBondContact O-N 2.66Å; I283-G285 PolarHBondContact O-N 2.92Å; I283-I286 PolarHBondContact O-N 2.97Å; I283-I287 HydrophobicContact CG2-CD1 3.69Å; I283-I287 HydrophobicContact CG2-CG1 4.32Å; I283-I287 WeakPolarHBondContact O-CB 3.45Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.48Å; I283-I287 PolarHBondContact O-N 3.09Å
284V55.9Low64.9Low119 Ų11997.1 Ų97.172%0.72158%0.582SS**Hα-helixtrans-60.5-40.9172.8-175.50000113P282 A288P282-V284 PolarHBondContact O-N 3.36Å; P282-V284 VanDerWaalsContact O-N 3.07Å; V284-A288 VanDerWaalsContact O-CB 3.27Å; V284-A288 WeakPolarHBondContact O-CB 3.43Å; V284-A288 PolarHBondContact O-N 3.26Å
285G60.4Low64.5Low43 Ų4392.2 Ų92.244%0.44357%0.57SS.*Hα-helixtrans-69.8-36.8179.400000113P282 I283 G289P282-G285 WeakPolarHBondContact O-CA 3.34Å; P282-G285 PolarHBondContact O-N 3.5Å; I283-G285 PolarHBondContact O-N 2.92Å; G285-G289 PolarHBondContact O-N 2.7Å
286I67.3Low64.6Low96 Ų9693.2 Ų93.249%0.49257%0.574SS.*Hα-helixtrans-70.4-43.5175.9-61.6174.8000110.4V281 P282 I283 G289 L290V281-I286 HydrophobicContact CG1-CD1 3.7Å; P282-I286 PolarHBondContact O-N 2.74Å; I283-I286 PolarHBondContact O-N 2.97Å; I286-G289 PolarHBondContact O-N 3.31Å; I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 2.84Å; I286-L290 WeakPolarHBondContact O-CG 3.35Å; I286-L290 PolarHBondContact O-N 3.45Å
287I68.4Low65.2Low99 Ų9993.8 Ų93.851%0.50857%0.568SS.*Hα-helixtrans-63.5-46.4176.5-67.4170.7000110.6I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.69Å; I283-I287 HydrophobicContact CG2-CG1 4.32Å; I283-I287 WeakPolarHBondContact O-CB 3.45Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.48Å; I283-I287 PolarHBondContact O-N 3.09Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 2.87Å; I287-L290 PolarHBondContact O-N 3.2Å; I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CB 3.22Å; I287-V291 VanDerWaalsContact O-CG2 3.26Å; I287-V291 WeakPolarHBondContact O-CG2 3.49Å; I287-V291 PolarHBondContact O-N 3.35Å
288A69.2Low66.3Low48 Ų4892.7 Ų92.740%0.39756%0.557SS.*Hα-helixtrans-60.5-42.8177.100000111.9V284 V291 L292V284-A288 VanDerWaalsContact O-CB 3.27Å; V284-A288 WeakPolarHBondContact O-CB 3.43Å; V284-A288 PolarHBondContact O-N 3.26Å; A288-V291 PolarHBondContact O-N 2.89Å; A288-L292 WeakPolarHBondContact O-CB 3.35Å; A288-L292 VanDerWaalsContact O-CG 3.29Å; A288-L292 WeakPolarHBondContact O-CG 3.47Å; A288-L292 PolarHBondContact O-N 3.12Å
289G74.1Confident67.7Low30 Ų3087 Ų8731%0.30954%0.542SS..Hα-helixtrans-62-44.2175.800000113.2G285 I286 I287 L292 L293G285-G289 PolarHBondContact O-N 2.7Å; I286-G289 PolarHBondContact O-N 3.31Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 2.87Å; G289-L292 PolarHBondContact O-N 2.91Å; G289-L293 WeakPolarHBondContact O-CB 3.44Å; G289-L293 WeakPolarHBondContact O-CG 3.41Å; G289-L293 PolarHBondContact O-N 3.3Å
290L79.9Confident69.3Low113 Ų11384.7 Ų84.759%0.59253%0.532SS*.Hα-helixtrans-67.9-38.8178.4-73.5170.7000112.7I286 I287 L293 G294I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 HydrophobicContact CG2-CG 4.47Å; I286-L290 WeakPolarHBondContact O-CB 2.84Å; I286-L290 WeakPolarHBondContact O-CG 3.35Å; I286-L290 PolarHBondContact O-N 3.45Å; I287-L290 PolarHBondContact O-N 3.2Å; L290-L293 PolarHBondContact O-N 2.88Å; L290-G294 PolarHBondContact O-N 3.46Å
291V78.2Confident70.5Confident97 Ų9782.2 Ų82.259%0.58852%0.516SS*.Hα-helixtrans-65.4-43.2176.2171.20000110.8I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CB 3.22Å; I287-V291 VanDerWaalsContact O-CG2 3.26Å; I287-V291 WeakPolarHBondContact O-CG2 3.49Å; I287-V291 PolarHBondContact O-N 3.35Å; A288-V291 PolarHBondContact O-N 2.89Å; V291-G294 PolarHBondContact O-N 3.11Å; V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 2.87Å
292L75.4Confident71.6Confident119 Ų11982.5 Ų82.562%0.62352%0.518SS*.Hα-helixtrans-63.6-45.3176.5-74.1169.2000111.8A288 G289 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.35Å; A288-L292 VanDerWaalsContact O-CG 3.29Å; A288-L292 WeakPolarHBondContact O-CG 3.47Å; A288-L292 PolarHBondContact O-N 3.12Å; G289-L292 PolarHBondContact O-N 2.91Å; L292-A295 PolarHBondContact O-N 2.85Å; L292-V296 VanDerWaalsContact O-CG2 3.32Å; L292-V296 WeakPolarHBondContact O-CG2 3.43Å; L292-V296 PolarHBondContact O-N 3.26Å
293L75.9Confident72.4Confident109 Ų10981.2 Ų81.257%0.57151%0.514SS*.Hα-helixtrans-61.4-44.5175.5-81162.4000111.7G289 L290 A295 V296 I297G289-L293 WeakPolarHBondContact O-CB 3.44Å; G289-L293 WeakPolarHBondContact O-CG 3.41Å; G289-L293 PolarHBondContact O-N 3.3Å; L290-L293 PolarHBondContact O-N 2.88Å; L293-A295 PolarHBondContact O-N 3.4Å; L293-V296 PolarHBondContact O-N 2.97Å; L293-I297 VanDerWaalsContact O-CG1 3.26Å; L293-I297 WeakPolarHBondContact O-CG1 3.41Å; L293-I297 PolarHBondContact O-N 2.72Å
294G76Confident73.1Confident36 Ų3678.4 Ų78.437%0.37151%0.509SS..Hα-helixtrans-57.6-46.617600000112.3L290 V291 I297 T298L290-G294 PolarHBondContact O-N 3.46Å; V291-G294 PolarHBondContact O-N 3.11Å; G294-I297 PolarHBondContact O-N 3.29Å; G294-T298 PolarHBondContact O-N 2.69Å; G294-T298 PolarHBondContact O-OG1 2.98Å
295A76.9Confident73.8Confident59 Ų5976.9 Ų76.949%0.48850%0.5SS..Hα-helixtrans-64.8-40.3178.600000112.9V291 L292 L293 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 2.87Å; L292-A295 PolarHBondContact O-N 2.85Å; L293-A295 PolarHBondContact O-N 3.4Å; A295-T298 WeakPolarHBondContact CA-OG1 3.14Å; A295-T298 PolarHBondContact O-N 2.86Å; A295-T298 PolarHBondContact O-OG1 3.13Å; A295-G299 PolarHBondContact O-N 3.13Å
296V79.9Confident74.4Confident101 Ų10181 Ų8161%0.61251%0.509SS*.Hα-helixtrans-64.4-43.8176.1171.40000110.9L292 L293 G299 A300L292-V296 VanDerWaalsContact O-CG2 3.32Å; L292-V296 WeakPolarHBondContact O-CG2 3.43Å; L292-V296 PolarHBondContact O-N 3.26Å; L293-V296 PolarHBondContact O-N 2.97Å; V296-G299 PolarHBondContact O-N 2.81Å; V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.01Å
297I76.1Confident74.5Confident107 Ų10786.2 Ų86.255%0.54952%0.523SS..Hα-helixtrans-64.4-45.5178.4-66.3167000110.3L293 G294 G299 A300 V301L293-I297 VanDerWaalsContact O-CG1 3.26Å; L293-I297 WeakPolarHBondContact O-CG1 3.41Å; L293-I297 PolarHBondContact O-N 2.72Å; G294-I297 PolarHBondContact O-N 3.29Å; I297-G299 PolarHBondContact O-N 2.73Å; I297-A300 PolarHBondContact O-N 2.87Å; I297-V301 HydrophobicContact CG2-CG2 4.42Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.31Å; I297-V301 PolarHBondContact O-N 3.06Å
298T72.9Confident74.4Confident88 Ų8891 Ų9154%0.5453%0.534SS..Hα-helixtrans-63.2-43.1176.914.50000111.6G294 A295 A300 V301 V302G294-T298 PolarHBondContact O-N 2.69Å; G294-T298 PolarHBondContact O-OG1 2.98Å; A295-T298 WeakPolarHBondContact CA-OG1 3.14Å; A295-T298 PolarHBondContact O-N 2.86Å; A295-T298 PolarHBondContact O-OG1 3.13Å; T298-A300 PolarHBondContact O-N 2.83Å; T298-V301 PolarHBondContact O-N 2.93Å; T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.34Å; T298-V302 PolarHBondContact O-N 2.9Å
299G74.2Confident73.9Confident41 Ų4198 Ų9842%0.42355%0.55SS.*Hα-helixtrans-59.1-44.8175.100000112.8A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 3.13Å; V296-G299 PolarHBondContact O-N 2.81Å; I297-G299 PolarHBondContact O-N 2.73Å; G299-V302 PolarHBondContact O-N 3.48Å; G299-A303 WeakPolarHBondContact O-CB 3.39Å; G299-A303 PolarHBondContact O-N 3.03Å
300A76.1Confident73Confident58 Ų58103.2 Ų103.248%0.47957%0.571SS.*Hα-helixtrans-65-41.1177.800000112.4V296 I297 T298 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.01Å; I297-A300 PolarHBondContact O-N 2.87Å; T298-A300 PolarHBondContact O-N 2.83Å; A300-A303 PolarHBondContact O-N 3.05Å; A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.06Å; A300-A304 PolarHBondContact O-N 3.12Å
301V77.2Confident71.8Confident83 Ų83101.1 Ų101.150%0.50357%0.566SS.*Hα-helixtrans-65.2-45.2176.7172.50000110.8I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.42Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.31Å; I297-V301 PolarHBondContact O-N 3.06Å; T298-V301 PolarHBondContact O-N 2.93Å; V301-A303 PolarHBondContact O-N 3.3Å; V301-A304 PolarHBondContact O-N 3.04Å; V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.29Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.46Å; V301-V305 PolarHBondContact O-N 3.16Å
302V75.6Confident70.5Confident83 Ų83100.5 Ų100.550%0.50357%0.566SS.*Hα-helixtrans-62.2-44.9177.3172.70000110.7T298 G299 A304 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.28Å; T298-V302 WeakPolarHBondContact O-CG2 3.34Å; T298-V302 PolarHBondContact O-N 2.9Å; G299-V302 PolarHBondContact O-N 3.48Å; V302-A304 PolarHBondContact O-N 3.43Å; V302-V305 PolarHBondContact O-N 2.95Å; V302-M306 HydrophobicContact CG1-CG 4.43Å; V302-M306 HydrophobicContact CG1-SD 4.09Å; V302-M306 WeakPolarHBondContact O-CB 3.47Å; V302-M306 WeakPolarHBondContact O-CG 3.39Å; V302-M306 PolarHBondContact O-N 3.17Å
303A71.9Confident69.2Low58 Ų58101.9 Ų101.948%0.47957%0.574SS.*Hα-helixtrans-61.6-43176.300000112.2G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.39Å; G299-A303 PolarHBondContact O-N 3.03Å; A300-A303 PolarHBondContact O-N 3.05Å; V301-A303 PolarHBondContact O-N 3.3Å; A303-M306 PolarHBondContact O-N 2.84Å; A303-W307 WeakPolarHBondContact O-CB 3.48Å; A303-W307 PolarHBondContact O-N 3.43Å
304A72.6Confident67.7Low60 Ų60107.1 Ų107.150%0.49659%0.586SS.*Hα-helixtrans-65.2-41.2176.800000112.3A300 V301 V302 W307 R308A300-A304 VanDerWaalsContact O-CB 3.29Å; A300-A304 WeakPolarHBondContact O-CB 3.06Å; A300-A304 PolarHBondContact O-N 3.12Å; V301-A304 PolarHBondContact O-N 3.04Å; V302-A304 PolarHBondContact O-N 3.43Å; A304-W307 PolarHBondContact O-N 3.1Å; A304-R308 WeakPolarHBondContact O-CB 3.21Å; A304-R308 PolarHBondContact O-N 2.87Å
305V72.3Confident65.8Low87 Ų87115.1 Ų115.153%0.52761%0.611SS.*Hα-helixtrans-66.1-42.7176.2170.60000111V301 V302 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.29Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.46Å; V301-V305 PolarHBondContact O-N 3.16Å; V302-V305 PolarHBondContact O-N 2.95Å; V305-R308 PolarHBondContact O-N 3.42Å; V305-R309 WeakPolarHBondContact O-CB 3.34Å; V305-R309 PolarHBondContact O-N 3.25Å
306M72.3Confident63.8Low130 Ų130116.1 Ų116.164%0.6463%0.626SS**Hα-helixtrans-63.3-42.1175.4-74.1-177.169.100111.9V302 A303 R308 R309 N310V302-M306 HydrophobicContact CG1-CG 4.43Å; V302-M306 HydrophobicContact CG1-SD 4.09Å; V302-M306 WeakPolarHBondContact O-CB 3.47Å; V302-M306 WeakPolarHBondContact O-CG 3.39Å; V302-M306 PolarHBondContact O-N 3.17Å; A303-M306 PolarHBondContact O-N 2.84Å; M306-R308 VanDerWaalsContact C-N 3.34Å; M306-R308 PolarHBondContact O-N 3.33Å; M306-R309 PolarHBondContact O-N 2.98Å; M306-N310 PolarHBondContact O-N 3.47Å
307W70.2Confident61.6Low205 Ų205115.1 Ų115.178%0.77764%0.637SS**Hα-helixtrans-60.7-45.4173.9-166.2-52.1000111A303 A304 R309 N310 S311A303-W307 WeakPolarHBondContact O-CB 3.48Å; A303-W307 PolarHBondContact O-N 3.43Å; A304-W307 PolarHBondContact O-N 3.1Å; W307-R309 VanDerWaalsContact C-N 3.31Å; W307-R309 PolarHBondContact O-N 3.3Å; W307-N310 PolarHBondContact O-N 3.1Å; W307-S311 PolarHBondContact O-N 2.79Å; W307-S311 PolarHBondContact O-OG 3.16Å
308R64.8Low59.6Low198 Ų198116 Ų11675%0.74765%0.652SS**Hα-helixtrans-66.5-33-179.2-155.2174.6-167.1176.63.3112.6A304 V305 M306 S311 S312A304-R308 WeakPolarHBondContact O-CB 3.21Å; A304-R308 PolarHBondContact O-N 2.87Å; V305-R308 PolarHBondContact O-N 3.42Å; M306-R308 VanDerWaalsContact C-N 3.34Å; M306-R308 PolarHBondContact O-N 3.33Å; R308-S311 WeakPolarHBondContact CA-OG 3.49Å; R308-S311 PolarHBondContact O-OG 3.27Å; R308-S311 VanDerWaalsContact O-OG 3.12Å; R308-S312 PolarHBondContact O-N 3.1Å; R308-S312 PolarHBondContact O-OG 3.14Å
309R59.5Low57.7Low195 Ų195122.5 Ų122.574%0.73667%0.668SS**Hα-helixtrans-72.3-34.4175.2-165.8172.7173.2169.3-2.2112.1V305 M306 W307 S312V305-R309 WeakPolarHBondContact O-CB 3.34Å; V305-R309 PolarHBondContact O-N 3.25Å; M306-R309 PolarHBondContact O-N 2.98Å; W307-R309 VanDerWaalsContact C-N 3.31Å; W307-R309 PolarHBondContact O-N 3.3Å; R309-S312 PolarHBondContact O-OG 3.31Å; R309-S312 VanDerWaalsContact O-OG 3.06Å
310N54.9Low55.9Low140 Ų140125.9 Ų125.975%0.74969%0.686SS**Hα-helixtrans-76.5-21.9175-120.99.3000113.4M306 W307M306-N310 PolarHBondContact O-N 3.47Å; W307-N310 PolarHBondContact O-N 3.1Å
311S54.1Low53.9Low70 Ų70132.1 Ų132.149%0.4971%0.705SS.*Hα-helixtrans-89.2-1717661.60000113.8W307 R308W307-S311 PolarHBondContact O-N 2.79Å; W307-S311 PolarHBondContact O-OG 3.16Å; R308-S311 WeakPolarHBondContact CA-OG 3.49Å; R308-S311 PolarHBondContact O-OG 3.27Å; R308-S311 VanDerWaalsContact O-OG 3.12Å
312S52.2Low51.8Low83 Ų83132.7 Ų132.758%0.5872%0.719SS**Hα-helixtrans-84.1-14.8177.555.70000115R308 R309 R314R308-S312 PolarHBondContact O-N 3.1Å; R308-S312 PolarHBondContact O-OG 3.14Å; R309-S312 PolarHBondContact O-OG 3.31Å; R309-S312 VanDerWaalsContact O-OG 3.06Å; S312-R314 PolarHBondContact O-N 2.87Å
313D46.8Very low49.8Very low149 Ų149133.8 Ų133.880%0.79774%0.736SS**THydrogen-bonded Turntrans-81.49.4174.8-94.7-14.1000113.8
314R45Very low47.9Very low218 Ų218136.6 Ų136.682%0.82375%0.752SS**SBendtrans-137.663.3-179.8-159.5176.3178.1162.1-0.5112.8S312S312-R314 PolarHBondContact O-N 2.87Å
315K37.2Very low46.2Very low205 Ų205139.3 Ų139.389%0.89177%0.767SS**  trans174.2105.1138.7-99166179.4-176.80111.1
316G35.1Very low44.4Very low79 Ų79142.6 Ų142.681%0.81478%0.782SS**  trans-78147.3164.200000112.5
317G32.3Very low42.9Very low80 Ų80142.3 Ų142.383%0.82579%0.793SS**  trans70.4112.5137.900000119.8
318S34.2Very low41.4Very low125 Ų125137.3 Ų137.387%0.87480%0.796SS**  -171.8135118.6-1720000111.5
319Y33.9Very low40.3Very low225 Ų225137.3 Ų137.388%0.88280%0.804SS**  trans-85.6146.4174.5-94.9-101.3000112.3
320S35.8Very low39.1Very low113 Ų113131.2 Ų131.279%0.7980%0.802SS**  trans169.6111.1136.244.80000109
321Q33.8Very low38.4Very low189 Ų189129.9 Ų129.988%0.88380%0.804SS**  87.5111.679.6-161.7173.611.200114.8
322A32.6Very low37.7Very low95 Ų95133.8 Ų133.879%0.78582%0.819SS**  trans57.5124.1148.700000122
323A34.4Very low37Very low106 Ų106135.3 Ų135.388%0.87683%0.825SS**  -158.5136119.900000109.9
324S32.4Very low36.6Very low116 Ų116132.6 Ų132.681%0.81182%0.817SS**  trans-84.3150.317867.10000111.2
325S36.2Very low36.4Very low117 Ų117129.7 Ų129.782%0.81882%0.817SS**  trans-161.2121.7142.754.80000110.9
326D34.1Very low36.5Very low156 Ų156126 Ų12683%0.83481%0.812SS**  trans-48.2147.4165.9-70-54.8000113.6
327S41.7Very low36.6Very low124 Ų124126 Ų12687%0.86781%0.805SS**  -174.4115.6116.822.90000109.9
328A38.4Very low36.8Very low101 Ų101128 Ų12884%0.83581%0.805SS**  trans-90.9138.4166.200000109.8
329Q41.3Very low36.9Very low197 Ų197131.2 Ų131.292%0.92180%0.803SS**  trans-159.3109.8148.5-109.2174.2-9.300103.7
330G35Very low37.3Very low68 Ų68130.2 Ų130.270%0.70182%0.82SS**  83.812574.600000106.6
331S40.1Very low37.3Very low112 Ų112131.1 Ų131.178%0.78382%0.821SS**  cis-16913828.8-60.20000104.6
332D38.8Very low37.5Very low152 Ų152128.1 Ų128.181%0.81382%0.818SS**  53.4130.692.9-87.6-13.3000112.3
333V38.3Very low37.8Very low115 Ų115129.9 Ų129.970%0.69782%0.82SS**  cis-177.9125.343.3122.10000105.6
334S37.2Very low38Very low91 Ų91131.3 Ų131.364%0.63682%0.817SS**  86.6123.3106.5-49.10000116.6
335L42.4Very low38.3Very low157 Ų157132.3 Ų132.382%0.82282%0.817SS**  159116.3106.8-85.1167.3000110.9
336T38.3Very low38.5Very low127 Ų127133.3 Ų133.378%0.77982%0.817SS**  -2.9152.4125.429.90000116.6
337A37.5Very low38.8Very low81 Ų81131.6 Ų131.667%0.66982%0.816SS**  cis-175.4162-0.400000106.4
338C35.9Very low38.6Very low122 Ų122132.2 Ų132.282%0.82481%0.812SS**  trans4.8138156.1-61.60000119.8
339K36.2Very low38.6Very low192 Ų192134.8 Ų134.884%0.83581%0.81SS**  -178.4145.692.5-116.2-174.9170.2168.40113.3
340V42Very low38.3Very low204 Ų204129.2 Ų129.2100%1.23680%0.8SS**  trans53.50152.9-164.60000118.1

Retrieved 340 of 340 residues in 1560 ms (Link to these results)

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