A0A060N0U0_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060N0U0, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 273 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S95.3Very high98.5Very high93 Ų9337 Ų3765%0.6520%0.203SC*.  0158040.70000107.3V102S1-V102 WeakPolarHBondContact CA-O 3.38Å; S1-V102 VanDerWaalsContact CB-O 3.32Å; S1-V102 WeakPolarHBondContact CB-O 3.34Å
2H98.4Very high98.5Very high39 Ų3935.2 Ų35.218%0.18120%0.195CC..EExtended strand (participates in β ladder)trans-136.1159.6-177.4-64.9-76.3000111.2D28 D101 V102 L167 L171H2-D28 VanDerWaalsContact CA-OD1 3.24Å; H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 3.85Å; H2-D28 IonicContact CG-OD2 3.17Å; H2-D28 IonicContact ND1-OD1 2.62Å; H2-D28 IonicContact ND1-OD2 3.76Å; H2-D28 PolarHBondContact ND1-OD2 2.91Å; H2-D101 CarbonylContact O-C 3.54Å; H2-D101 WeakPolarHBondContact O-CA 3.14Å; H2-V102 HydrophobicContact CB-CG2 4.11Å; H2-V102 PolarHBondContact N-O 3.46Å; H2-V102 PolarHBondContact O-N 2.76Å; H2-L167 HydrophobicContact CB-CD1 4.35Å; H2-L171 HydrophobicContact CB-CD1 3.77Å; H2-L171 HydrophobicContact CB-CD2 3.99Å; H2-L171 HydrophobicContact CB-CG 4.45Å; H2-L171 VanDerWaalsContact CG-CD2 3.48Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.33Å
3S98.6Very high98.4Very high26 Ų2638.3 Ų38.318%0.18220%0.202CC..EExtended strand (participates in β ladder)trans-134.2147.9176.763.60000111.1V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; S3-D28 PolarHBondContact N-OD1 2.97Å; S3-D28 PolarHBondContact O-N 3.24Å; S3-D28 PolarHBondContact OG-OD1 3.13Å; S3-C100 WeakPolarHBondContact CA-O 3.44Å; S3-D101 WeakPolarHBondContact CB-OD1 3.44Å
4M98.9Very high98.1Very high0 Ų039.7 Ų39.70%022%0.215CC..EExtended strand (participates in β ladder)trans-121.3126.5165.7-174.2169.466.400108.4Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.27Å; M4-Y6 HydrophobicContact CG-CE2 4.29Å; M4-Y6 HydrophobicContact SD-CE2 4.31Å; M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.37Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.33Å; M4-G99 CarbonylContact O-C 3.53Å; M4-G99 WeakPolarHBondContact O-CA 3.47Å; M4-C100 PolarHBondContact N-O 3.09Å; M4-C100 PolarHBondContact O-N 3.36Å; M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 WeakPolarHBondContact CE-O 3.49Å; M4-C163 VanDerWaalsContact CE-SG 3.56Å; M4-W166 HydrophobicContact CE-CB 4.09Å; M4-W166 HydrophobicContact SD-CB 4.47Å; M4-L167 HydrophobicContact CB-CB 4.03Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.08Å; M4-L167 HydrophobicContact CB-CG 4.24Å; M4-L167 HydrophobicContact CE-CB 4.38Å; M4-L167 HydrophobicContact SD-CB 4.37Å; M4-Y170 HydrophobicContact SD-CD2 3.67Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å
5R98.8Very high97.8Very high47 Ų4742.9 Ų42.918%0.17726%0.261CS..EExtended strand (participates in β ladder)trans-133.4139.6-177.2-58.2-62.2-178.584.17111.2F7 G25 Y26 M97 Y98 D101 H112R5-F7 HydrophobicContact CB-CD2 4.32Å; R5-F7 HydrophobicContact CB-CE2 3.52Å; R5-F7 HydrophobicContact CB-CZ 3.81Å; R5-F7 HydrophobicContact CG-CE2 4.49Å; R5-F7 HydrophobicContact CG-CZ 4.39Å; R5-G25 CarbonylContact O-C 3.54Å; R5-G25 WeakPolarHBondContact O-CA 3.34Å; R5-Y26 PolarHBondContact N-O 3.06Å; R5-Y26 PolarHBondContact O-N 3.34Å; R5-M97 PolarHBondContact NH1-SD 3.28Å; R5-Y98 WeakPolarHBondContact CA-O 3.35Å; R5-D101 IonicContact CZ-OD1 2.89Å; R5-D101 IonicContact NE-OD1 2.8Å; R5-D101 PolarHBondContact NE-OD1 2.87Å; R5-D101 IonicContact NH2-OD1 3.27Å; R5-D101 PolarHBondContact NH2-OD1 3.35Å; R5-D101 IonicContact NH2-OD2 3.32Å; R5-D101 PolarHBondContact NH2-OD2 3.07Å; R5-H112 PolarHBondContact NH2-CD2 3.39Å; R5-H112 PolarHBondContact NH2-NE2 3.32Å; R5-H112 VanDerWaalsContact NH2-NE2 3.1Å
6Y98.9Very high97.7Very high14 Ų1453.2 Ų53.26%0.05529%0.293CS..EExtended strand (participates in β ladder)trans-111.6134.8167.4-68.7-89.3000109.2M4 Y8 V24 F32 V33 Y66 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.27Å; M4-Y6 HydrophobicContact CG-CE2 4.29Å; M4-Y6 HydrophobicContact SD-CE2 4.31Å; Y6-Y8 HydrophobicContact CD1-CE1 4.4Å; Y6-V24 WeakPolarHBondContact CA-O 3.43Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 AromaticContact CZ-CZ 3.88Å; Y6-V33 HydrophobicContact CE1-CG2 4.14Å; Y6-Y66 WeakPolarHBondContact CE1-OH 3.43Å; Y6-M97 WeakPolarHBondContact O-CA 3.32Å; Y6-Y98 HydrophobicContact CD2-CD2 4.39Å; Y6-Y98 AromaticContact CD2-CE2 3.62Å; Y6-Y98 HydrophobicContact CD2-CE2 3.62Å; Y6-Y98 AromaticContact CD2-CZ 3.86Å; Y6-Y98 HydrophobicContact CE2-CE2 4.43Å; Y6-Y98 HydrophobicContact CG-CE1 4.5Å; Y6-Y98 HydrophobicContact CG-CE2 4.12Å; Y6-Y98 AromaticContact CG-CZ 3.89Å; Y6-Y98 PolarHBondContact N-O 3.41Å; Y6-Y98 PolarHBondContact O-N 3.03Å
7F98.9Very high97.5Very high84 Ų8453.2 Ų53.237%0.36831%0.309SS..EExtended strand (participates in β ladder)trans-121.3118.2178.4-58.5-93.6000109.3R5 A23 V24 Y26 S96 M97R5-F7 HydrophobicContact CB-CD2 4.32Å; R5-F7 HydrophobicContact CB-CE2 3.52Å; R5-F7 HydrophobicContact CB-CZ 3.81Å; R5-F7 HydrophobicContact CG-CE2 4.49Å; R5-F7 HydrophobicContact CG-CZ 4.39Å; F7-A23 WeakPolarHBondContact O-CA 3.26Å; F7-V24 HydrophobicContact CB-CG2 3.88Å; F7-V24 HydrophobicContact CD2-CG2 4.36Å; F7-V24 PolarHBondContact N-O 3.47Å; F7-V24 PolarHBondContact O-N 3.16Å; F7-Y26 HydrophobicContact CD2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CD2 4.07Å; F7-Y26 HydrophobicContact CE2-CG 4.49Å; F7-S96 WeakPolarHBondContact CA-O 3.37Å; F7-M97 HydrophobicContact CD1-CB 4.05Å; F7-M97 HydrophobicContact CD1-CG 3.6Å; F7-M97 HydrophobicContact CE1-CB 4.23Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CG-CG 4.47Å; F7-M97 HydrophobicContact CZ-CG 4.07Å
8Y98.9Very high97.4Very high6 Ų655.4 Ų55.42%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-108.8144.1178.8-59.4-13.7000110.1Y6 F21 I22 A23 Y66 Q69 Q95 S96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.4Å; Y8-F21 HydrophobicContact CD1-CZ 4.13Å; Y8-F21 HydrophobicContact CD2-CE2 4.12Å; Y8-F21 HydrophobicContact CD2-CZ 4.03Å; Y8-F21 HydrophobicContact CE2-CZ 4.38Å; Y8-F21 HydrophobicContact CG-CE2 4.02Å; Y8-F21 AromaticContact CG-CZ 3.89Å; Y8-F21 HydrophobicContact CG-CZ 3.89Å; Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.49Å; Y8-A23 HydrophobicContact CD1-CB 3.32Å; Y8-A23 HydrophobicContact CE1-CB 3.39Å; Y8-A23 HydrophobicContact CG-CB 4.35Å; Y8-Y66 HydrophobicContact CE1-CD1 4.21Å; Y8-Y66 AromaticContact CE1-CE1 3.72Å; Y8-Y66 HydrophobicContact CE1-CE1 3.72Å; Y8-Y66 AromaticContact CZ-CE1 3.82Å; Y8-Y66 VanDerWaalsContact OH-CE1 3.32Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.22Å; Y8-Q69 HydrophobicContact CD2-CG 3.83Å; Y8-Q69 HydrophobicContact CE2-CG 3.8Å; Y8-Q95 WeakPolarHBondContact O-CA 3.13Å; Y8-S96 PolarHBondContact N-O 3.07Å; Y8-S96 PolarHBondContact O-N 2.86Å; Y8-S96 VanDerWaalsContact O-N 3.07Å; Y8-Y98 HydrophobicContact CD2-CE1 4.22Å; Y8-Y98 HydrophobicContact CE1-CE1 4.33Å; Y8-Y98 AromaticContact CE2-CE1 3.52Å; Y8-Y98 HydrophobicContact CE2-CE1 3.52Å; Y8-Y98 AromaticContact CZ-CE1 3.59Å; Y8-Y98 AromaticContact CZ-CZ 3.95Å; Y8-Y98 PolarHBondContact OH-OH 3.4Å
9T98.9Very high97.4Very high44 Ų4453.8 Ų53.827%0.2731%0.308SS..EExtended strand (participates in β ladder)trans-142.1119.8175.2-58.90000109.4V11 I22 T93 L94 Q95T9-V11 HydrophobicContact CG2-CG2 3.92Å; T9-I22 PolarHBondContact N-O 3.31Å; T9-I22 PolarHBondContact O-N 2.99Å; T9-T93 HydrophobicContact CG2-CG2 4.17Å; T9-L94 WeakPolarHBondContact CA-O 3.23Å; T9-Q95 HydrophobicContact CG2-CG 4.21Å
10S98.9Very high97.5Very high2 Ų255.6 Ų55.61%0.01431%0.309CS..EExtended strand (participates in β ladder)trans-115118.9176.5-790000110R20 F21 D73 T93 L94S10-R20 CarbonylContact C-O 3.6Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.39Å; S10-F21 VanDerWaalsContact OG-CD2 3.31Å; S10-F21 WeakPolarHBondContact OG-CD2 3.33Å; S10-D73 WeakPolarHBondContact OG-CB 3.42Å; S10-D73 PolarHBondContact OG-OD2 3.26Å; S10-T93 CarbonylContact O-C 3.52Å; S10-T93 WeakPolarHBondContact O-CA 3.45Å; S10-L94 PolarHBondContact N-O 2.66Å; S10-L94 PolarHBondContact O-N 2.93Å
11V98.7Very high97.6Very high52 Ų5253 Ų5332%0.31530%0.295SS..EExtended strand (participates in β ladder)trans-118.3114.6-177.5-174.30000109.9T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 3.92Å; V11-P19 CarbonylContact O-C 3.6Å; V11-P19 WeakPolarHBondContact O-CA 2.97Å; V11-R20 PolarHBondContact N-O 3.14Å; V11-R20 PolarHBondContact O-N 3.16Å; V11-T93 HydrophobicContact CG2-CG2 4.31Å
12S98.4Very high97.7Very high15 Ų1551 Ų5111%0.10528%0.276CS..  trans-71.5145.3174.478.30000110.7S91 H92S12-S91 WeakPolarHBondContact O-CB 3.38Å; S12-S91 PolarHBondContact O-OG 3.4Å; S12-H92 PolarHBondContact N-O 2.96Å; S12-H92 PolarHBondContact OG-N 2.86Å; S12-H92 PolarHBondContact OG-O 2.64Å
13R97.2Very high97.8Very high76 Ų7649.1 Ų49.129%0.28727%0.267SS..  trans-141.471.2-177.951.3176175.4-164.5-6.3111.2G15 R16 E18 D38R13-G15 PolarHBondContact O-N 2.61Å; R13-R16 HydrophobicContact CB-CB 4.18Å; R13-R16 WeakPolarHBondContact CD-O 3.26Å; R13-R16 HydrophobicContact CG-CB 4.21Å; R13-R16 PolarHBondContact NE-O 2.86Å; R13-R16 PolarHBondContact O-N 3.22Å; R13-E18 PolarHBondContact NE-O 2.9Å; R13-E18 PolarHBondContact NH2-O 2.9Å; R13-D38 IonicContact CZ-OD1 3.92Å; R13-D38 IonicContact CZ-OD2 3.54Å; R13-D38 IonicContact NH1-OD1 3.83Å; R13-D38 IonicContact NH1-OD2 3.99Å; R13-D38 PolarHBondContact NH1-OD2 2.86Å; R13-D38 IonicContact NH2-OD1 2.62Å; R13-D38 PolarHBondContact NH2-OD1 2.97Å; R13-D38 IonicContact NH2-OD2 3.1Å; R13-D38 PolarHBondContact NH2-OD2 3.34Å
14P94.3Very high97.8Very high58 Ų5849.2 Ų49.238%0.37727%0.267SS..THydrogen-bonded Turntrans-49.4131.5-176.9-26.834.8000112.4R16 E88 G90P14-R16 VanDerWaalsContact C-N 3.28Å; P14-R16 PolarHBondContact O-N 3.05Å; P14-E88 VanDerWaalsContact CB-O 3.32Å; P14-E88 WeakPolarHBondContact CB-O 3.47Å; P14-E88 WeakPolarHBondContact CG-O 3.49Å; P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.41Å
15G94.3Very high97.8Very high88 Ų8849.2 Ų49.291%0.90727%0.267SS*.THydrogen-bonded Turntrans77.80.6-176.500000115.8R13R13-G15 PolarHBondContact O-N 2.61Å
16R95.6Very high97.8Very high207 Ų20750.4 Ų50.478%0.78127%0.272SS*.SBendtrans-126.627.3178.3-58.9-173.5-177173.11.9113.5R13 P14R13-R16 HydrophobicContact CB-CB 4.18Å; R13-R16 WeakPolarHBondContact CD-O 3.26Å; R13-R16 HydrophobicContact CG-CB 4.21Å; R13-R16 PolarHBondContact NE-O 2.86Å; R13-R16 PolarHBondContact O-N 3.22Å; P14-R16 VanDerWaalsContact C-N 3.28Å; P14-R16 PolarHBondContact O-N 3.05Å
17G94.1Very high97.8Very high54 Ų5449.7 Ų49.756%0.55727%0.269SS*.SBendtrans94.2-162.7-179.900000113.4
18E96.4Very high97.7Very high92 Ų9247.2 Ų47.243%0.4326%0.26SS..SBendtrans-73.8159.8-178.1-64-54.6158.500112.7R13 R20 R74R13-E18 PolarHBondContact NE-O 2.9Å; R13-E18 PolarHBondContact NH2-O 2.9Å; E18-R20 PolarHBondContact O-N 3.02Å; E18-R74 VanDerWaalsContact CD-NE 3.29Å; E18-R74 IonicContact OE1-CZ 3.66Å; E18-R74 IonicContact OE1-NE 3.73Å; E18-R74 IonicContact OE1-NH2 2.74Å; E18-R74 PolarHBondContact OE1-NH2 3.31Å; E18-R74 WeakPolarHBondContact OE2-CD 3.39Å; E18-R74 IonicContact OE2-CZ 2.78Å; E18-R74 IonicContact OE2-NE 3.99Å; E18-R74 PolarHBondContact OE2-NE 2.82Å; E18-R74 IonicContact OE2-NH2 2.79Å; E18-R74 PolarHBondContact OE2-NH2 3.25Å; E18-R74 VanDerWaalsContact OE2-NH2 3.1Å
19P98Very high97.7Very high26 Ų2650 Ų5017%0.16928%0.275CS..PPolyproline II helixtrans-51.9134.1172.3-2534.3000111.5V11 R74 L77V11-P19 CarbonylContact O-C 3.6Å; V11-P19 WeakPolarHBondContact O-CA 2.97Å; P19-R74 HydrophobicContact CG-CB 4.46Å; P19-R74 HydrophobicContact CG-CG 4.25Å; P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.78Å
20R98.6Very high97.7Very high88 Ų8848.7 Ų48.733%0.33227%0.267SS..EExtended strand (participates in β ladder)trans-80128.1173.8-177.5-176.7-174.7179.5-0.9108.6S10 V11 E18 I22 D36 D38S10-R20 CarbonylContact C-O 3.6Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.39Å; V11-R20 PolarHBondContact N-O 3.14Å; V11-R20 PolarHBondContact O-N 3.16Å; E18-R20 PolarHBondContact O-N 3.02Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; R20-D36 IonicContact CZ-OD1 2.68Å; R20-D36 IonicContact CZ-OD2 3.52Å; R20-D36 IonicContact NE-OD1 3.5Å; R20-D36 PolarHBondContact NE-OD1 2.97Å; R20-D36 IonicContact NE-OD2 2.7Å; R20-D36 IonicContact NH2-OD1 3.69Å; R20-D36 PolarHBondContact NH2-OD1 2.66Å; R20-D36 IonicContact NH2-OD2 2.78Å; R20-D36 PolarHBondContact NH2-OD2 2.89Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.32Å; R20-D38 HydrophobicContact CG-CB 4.33Å; R20-D38 IonicContact NE-OD2 3.08Å
21F98.9Very high97.7Very high2 Ų251.2 Ų51.21%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-107.6125.9175.4175.2-90.6000109.8Y8 S10 A23 F35 S37 Y66 Q69 A70 D73Y8-F21 HydrophobicContact CD1-CZ 4.13Å; Y8-F21 HydrophobicContact CD2-CE2 4.12Å; Y8-F21 HydrophobicContact CD2-CZ 4.03Å; Y8-F21 HydrophobicContact CE2-CZ 4.38Å; Y8-F21 HydrophobicContact CG-CE2 4.02Å; Y8-F21 AromaticContact CG-CZ 3.89Å; Y8-F21 HydrophobicContact CG-CZ 3.89Å; S10-F21 VanDerWaalsContact OG-CD2 3.31Å; S10-F21 WeakPolarHBondContact OG-CD2 3.33Å; F21-A23 HydrophobicContact CE1-CB 3.69Å; F21-A23 HydrophobicContact CZ-CB 3.87Å; F21-F35 AromaticContact CD1-CD1 3.65Å; F21-F35 HydrophobicContact CD1-CD1 3.65Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.85Å; F21-F35 HydrophobicContact CE1-CD1 3.85Å; F21-F35 HydrophobicContact CE1-CE1 4.27Å; F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.37Å; F21-S37 PolarHBondContact O-OG 3.2Å; F21-Y66 HydrophobicContact CE1-CD1 4.04Å; F21-Y66 HydrophobicContact CE1-CG 4.39Å; F21-Y66 HydrophobicContact CZ-CD1 4.26Å; F21-Q69 HydrophobicContact CE2-CB 4.24Å; F21-Q69 HydrophobicContact CE2-CG 3.72Å; F21-Q69 HydrophobicContact CZ-CB 4.08Å; F21-Q69 HydrophobicContact CZ-CG 3.87Å; F21-A70 HydrophobicContact CB-CB 3.63Å; F21-A70 HydrophobicContact CD1-CB 3.99Å; F21-A70 HydrophobicContact CD2-CB 4.17Å; F21-A70 HydrophobicContact CG-CB 3.67Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.47Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.22Å
22I98.9Very high97.7Very high50 Ų5048.7 Ų48.726%0.25626%0.264SS..EExtended strand (participates in β ladder)trans-122.7134.7173-62.3167.9000107.9Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.49Å; T9-I22 PolarHBondContact N-O 3.31Å; T9-I22 PolarHBondContact O-N 2.99Å; R20-I22 HydrophobicContact CG-CG1 4.33Å; I22-V24 HydrophobicContact CG2-CG1 4.49Å; I22-F35 WeakPolarHBondContact CA-O 3.47Å
23A98.9Very high97.7Very high0 Ų048 Ų480%026%0.259CS..EExtended strand (participates in β ladder)trans-126.7140.2170.900000110.5F7 Y8 F21 R34 F35 Y66F7-A23 WeakPolarHBondContact O-CA 3.26Å; Y8-A23 HydrophobicContact CD1-CB 3.32Å; Y8-A23 HydrophobicContact CE1-CB 3.39Å; Y8-A23 HydrophobicContact CG-CB 4.35Å; F21-A23 HydrophobicContact CE1-CB 3.69Å; F21-A23 HydrophobicContact CZ-CB 3.87Å; A23-R34 CarbonylContact O-C 3.53Å; A23-R34 VanDerWaalsContact O-CA 3.29Å; A23-R34 WeakPolarHBondContact O-CA 3.47Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 2.85Å; A23-F35 PolarHBondContact O-N 2.64Å; A23-Y66 HydrophobicContact CB-CD1 3.6Å; A23-Y66 HydrophobicContact CB-CE1 3.51Å; A23-Y66 HydrophobicContact CB-CG 4.47Å
24V98.9Very high97.8Very high29 Ų2948.3 Ų48.318%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-135.2141.4171.9-63.80000109.9Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 WeakPolarHBondContact CA-O 3.43Å; F7-V24 HydrophobicContact CB-CG2 3.88Å; F7-V24 HydrophobicContact CD2-CG2 4.36Å; F7-V24 PolarHBondContact N-O 3.47Å; F7-V24 PolarHBondContact O-N 3.16Å; I22-V24 HydrophobicContact CG2-CG1 4.49Å; V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.31Å; V24-V33 WeakPolarHBondContact CA-O 3.38Å; V24-R34 HydrophobicContact CG1-CB 4.37Å; V24-R34 HydrophobicContact CG1-CG 4.23Å
25G98.8Very high98Very high0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-114.5138.3176.600000110.8R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.54Å; R5-G25 WeakPolarHBondContact O-CA 3.34Å; G25-Q31 WeakPolarHBondContact O-CA 3.46Å; G25-F32 WeakPolarHBondContact O-CD1 3.37Å; G25-F32 PolarHBondContact O-N 2.84Å; G25-V33 PolarHBondContact N-O 2.86Å
26Y98.9Very high98.2Very high71 Ų7142.2 Ų42.228%0.27820%0.203SC..EExtended strand (participates in β ladder)trans-126.6141.1178.8-78.3-102.4000111.1M4 R5 F7 V24 T30 Q31 F32M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.37Å; R5-Y26 PolarHBondContact N-O 3.06Å; R5-Y26 PolarHBondContact O-N 3.34Å; F7-Y26 HydrophobicContact CD2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CD2 4.07Å; F7-Y26 HydrophobicContact CE2-CG 4.49Å; V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 HydrophobicContact CG2-CD2 4.28Å; V24-Y26 HydrophobicContact CG2-CE2 3.76Å; Y26-T30 WeakPolarHBondContact CA-O 3.36Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.37Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.04Å; Y26-Q31 HydrophobicContact CE2-CG 3.86Å; Y26-F32 VanDerWaalsContact N-CE1 3.31Å
27V98.8Very high98.3Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-110117.1156.5176.80000106.3S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.59Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; V27-D29 PolarHBondContact O-N 3.07Å; V27-T30 PolarHBondContact N-O 3.46Å; V27-T30 WeakPolarHBondContact O-CB 3.49Å; V27-T30 PolarHBondContact O-N 2.85Å; V27-F32 HydrophobicContact CG2-CD1 4.05Å; V27-F32 HydrophobicContact CG2-CE1 4.05Å; V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CB-CZ2 4.49Å; V27-W50 HydrophobicContact CG2-CH2 3.9Å; V27-W50 HydrophobicContact CG2-CZ2 4.39Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V27-Y170 HydrophobicContact CG2-CD2 4.01Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; V27-L178 HydrophobicContact CB-CD1 4.39Å; V27-L178 HydrophobicContact CB-CD2 4.24Å; V27-L178 HydrophobicContact CG1-CD1 4Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å
28D98.3Very high98.5Very high32 Ų3234.6 Ų34.617%0.17117%0.168CC..THydrogen-bonded Turntrans48.1-125.5-166.2-51.1-41000110.8H2 S3 T30H2-D28 VanDerWaalsContact CA-OD1 3.24Å; H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 3.85Å; H2-D28 IonicContact CG-OD2 3.17Å; H2-D28 IonicContact ND1-OD1 2.62Å; H2-D28 IonicContact ND1-OD2 3.76Å; H2-D28 PolarHBondContact ND1-OD2 2.91Å; S3-D28 PolarHBondContact N-OD1 2.97Å; S3-D28 PolarHBondContact O-N 3.24Å; S3-D28 PolarHBondContact OG-OD1 3.13Å; D28-T30 VanDerWaalsContact C-N 3.32Å
29D98.3Very high98.6Very high64 Ų6431.9 Ų31.934%0.34216%0.161SC..THydrogen-bonded Turntrans-90.912.6178.1-63-51.9000113.6V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.07Å; D29-Y208 HydrophobicContact CB-CD2 4.48Å; D29-Y208 HydrophobicContact CB-CE2 3.76Å; D29-P209 WeakPolarHBondContact OD2-CA 3.48Å; D29-P209 WeakPolarHBondContact OD2-CB 3.39Å; D29-A210 WeakPolarHBondContact OD2-CB 3.29Å; D29-A210 PolarHBondContact OD2-N 3.31Å; D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.79Å
30T98.4Very high98.6Very high17 Ų1736.2 Ų36.210%0.10420%0.199CC..EExtended strand (participates in β ladder)trans-107.9110.3-178.3-58.70000111.3Y26 V27 D28 F32 L178 Y208 R238Y26-T30 WeakPolarHBondContact CA-O 3.36Å; V27-T30 PolarHBondContact N-O 3.46Å; V27-T30 WeakPolarHBondContact O-CB 3.49Å; V27-T30 PolarHBondContact O-N 2.85Å; D28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 2.84Å; T30-L178 HydrophobicContact CG2-CD2 4.11Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.33Å; T30-Y208 PolarHBondContact OG1-OH 2.97Å; T30-R238 PolarHBondContact OG1-NE 2.83Å
31Q98.6Very high98.6Very high54 Ų5435.8 Ų35.825%0.25221%0.209SC..EExtended strand (participates in β ladder)trans-65.7132171.9-168179.7-2.200110.3V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.31Å; G25-Q31 WeakPolarHBondContact O-CA 3.46Å; Y26-Q31 HydrophobicContact CD1-CB 4.08Å; Y26-Q31 HydrophobicContact CD2-CB 4.49Å; Y26-Q31 HydrophobicContact CD2-CG 4.37Å; Y26-Q31 HydrophobicContact CE1-CB 3.58Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.04Å; Y26-Q31 HydrophobicContact CE2-CG 3.86Å; Q31-V33 PolarHBondContact NE2-O 2.84Å; Q31-R47 HydrophobicContact CG-CB 4.17Å; Q31-R47 HydrophobicContact CG-CG 4.4Å
32F98.7Very high98.5Very high0 Ų037.2 Ų37.20%022%0.219CC..EExtended strand (participates in β ladder)trans-121.8-22.9-179.773.6-84.2000114.5M4 Y6 G25 Y26 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.42Å; M4-F32 HydrophobicContact SD-CZ 4.33Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 AromaticContact CZ-CZ 3.88Å; G25-F32 WeakPolarHBondContact O-CD1 3.37Å; G25-F32 PolarHBondContact O-N 2.84Å; Y26-F32 VanDerWaalsContact N-CE1 3.31Å; V27-F32 HydrophobicContact CG2-CD1 4.05Å; V27-F32 HydrophobicContact CG2-CE1 4.05Å; T30-F32 PolarHBondContact O-N 2.84Å; F32-R47 PolarHBondContact O-N 2.79Å; F32-A48 HydrophobicContact CB-CB 4.03Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.98Å; F32-W50 AromaticContact CD1-CH2 3.98Å; F32-W50 HydrophobicContact CD1-CH2 3.98Å; F32-W50 AromaticContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CZ3 4.04Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.05Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 4.01Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.46Å; F32-Y170 HydrophobicContact CE2-CD2 4.38Å; F32-Y170 AromaticContact CE2-CE2 3.76Å; F32-Y170 HydrophobicContact CE2-CE2 3.76Å; F32-Y170 HydrophobicContact CZ-CD2 4.42Å; F32-Y170 AromaticContact CZ-CE2 3.91Å; F32-Y170 HydrophobicContact CZ-CE2 3.91Å
33V98.8Very high98.5Very high0 Ų041.3 Ų41.30%023%0.231CC..EExtended strand (participates in β ladder)trans-140.7158.1177-71.70000112.8Y6 V24 G25 Q31 E44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 4.14Å; V24-V33 WeakPolarHBondContact CA-O 3.38Å; G25-V33 PolarHBondContact N-O 2.86Å; Q31-V33 PolarHBondContact NE2-O 2.84Å; V33-E44 HydrophobicContact CB-CG 3.91Å; V33-E44 WeakPolarHBondContact CB-OE1 3.41Å; V33-E44 HydrophobicContact CG1-CG 3.93Å; V33-E44 WeakPolarHBondContact CG1-OE1 3.26Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.37Å; V33-E45 WeakPolarHBondContact CA-O 3.34Å; V33-I51 HydrophobicContact CG1-CG1 4.33Å; V33-W59 HydrophobicContact CG1-CH2 4.26Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å
34R98.8Very high98.5Very high83 Ų8341.7 Ų41.731%0.31323%0.233SC..EExtended strand (participates in β ladder)trans-144.4146.4169.4176.2173.1167.9-170.8-2.1111.1A23 V24 D36 E44 E45 R47A23-R34 CarbonylContact O-C 3.53Å; A23-R34 VanDerWaalsContact O-CA 3.29Å; A23-R34 WeakPolarHBondContact O-CA 3.47Å; V24-R34 HydrophobicContact CG1-CB 4.37Å; V24-R34 HydrophobicContact CG1-CG 4.23Å; R34-D36 IonicContact CZ-OD2 3.5Å; R34-D36 IonicContact NH2-OD2 3.47Å; R34-D36 PolarHBondContact NH2-OD2 2.82Å; R34-E44 WeakPolarHBondContact O-CA 3.36Å; R34-E45 PolarHBondContact N-O 3.17Å; R34-E45 PolarHBondContact O-N 3.32Å; R34-R47 HydrophobicContact CB-CG 4.14Å
35F98.9Very high98.5Very high4 Ų443.9 Ų43.92%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-130143.9163.1178.7-81.4000109.6F21 I22 A23 P42 R43 Y66 K67F21-F35 AromaticContact CD1-CD1 3.65Å; F21-F35 HydrophobicContact CD1-CD1 3.65Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.85Å; F21-F35 HydrophobicContact CE1-CD1 3.85Å; F21-F35 HydrophobicContact CE1-CE1 4.27Å; I22-F35 WeakPolarHBondContact CA-O 3.47Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 2.85Å; A23-F35 PolarHBondContact O-N 2.64Å; F35-P42 HydrophobicContact CE1-CB 4.37Å; F35-P42 HydrophobicContact CE2-CB 3.87Å; F35-P42 HydrophobicContact CZ-CB 3.6Å; F35-R43 VanDerWaalsContact CD2-C 3.45Å; F35-R43 WeakPolarHBondContact CD2-O 3.2Å; F35-Y66 HydrophobicContact CB-CD1 4.41Å; F35-Y66 HydrophobicContact CB-CD2 3.69Å; F35-Y66 HydrophobicContact CB-CE2 4.17Å; F35-Y66 HydrophobicContact CB-CG 3.83Å; F35-Y66 HydrophobicContact CD1-CG 4.38Å; F35-Y66 AromaticContact CD2-CD2 3.8Å; F35-Y66 HydrophobicContact CD2-CD2 3.8Å; F35-Y66 HydrophobicContact CD2-CG 4.01Å; F35-Y66 AromaticContact CG-CD2 3.89Å; F35-Y66 HydrophobicContact CG-CD2 3.89Å; F35-Y66 AromaticContact CG-CG 3.83Å; F35-Y66 HydrophobicContact CG-CG 3.83Å; F35-K67 HydrophobicContact CE2-CG 4.2Å; F35-K67 HydrophobicContact CZ-CG 3.93Å
36D98.8Very high98.5Very high14 Ų1446.1 Ų46.18%0.07526%0.256CS..EExtended strand (participates in β ladder)trans-141.3119176.2-165.8-24.7000109.9R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 2.68Å; R20-D36 IonicContact CZ-OD2 3.52Å; R20-D36 IonicContact NE-OD1 3.5Å; R20-D36 PolarHBondContact NE-OD1 2.97Å; R20-D36 IonicContact NE-OD2 2.7Å; R20-D36 IonicContact NH2-OD1 3.69Å; R20-D36 PolarHBondContact NH2-OD1 2.66Å; R20-D36 IonicContact NH2-OD2 2.78Å; R20-D36 PolarHBondContact NH2-OD2 2.89Å; R34-D36 IonicContact CZ-OD2 3.5Å; R34-D36 IonicContact NH2-OD2 3.47Å; R34-D36 PolarHBondContact NH2-OD2 2.82Å; D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 PolarHBondContact OD1-N 3.15Å; D36-D38 VanDerWaalsContact OD1-N 3.1Å; D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.41Å; D36-A39 PolarHBondContact O-N 3.33Å; D36-A39 VanDerWaalsContact O-N 3.16Å
37S98.6Very high98.4Very high34 Ų3447.9 Ų47.924%0.23826%0.262CS..THydrogen-bonded Turntrans-65.3-21.6-179.1680000113.4F21 A39 P42F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.37Å; F21-S37 PolarHBondContact O-OG 3.2Å; S37-A39 VanDerWaalsContact C-N 3.34Å; S37-P42 WeakPolarHBondContact O-CG 3.07Å
38D98.3Very high98.4Very high67 Ų6748.1 Ų48.136%0.35826%0.264SS..THydrogen-bonded Turntrans-87.5-3179.1-78.57.3000112.9R13 R20 D36R13-D38 IonicContact CZ-OD1 3.92Å; R13-D38 IonicContact CZ-OD2 3.54Å; R13-D38 IonicContact NH1-OD1 3.83Å; R13-D38 IonicContact NH1-OD2 3.99Å; R13-D38 PolarHBondContact NH1-OD2 2.86Å; R13-D38 IonicContact NH2-OD1 2.62Å; R13-D38 PolarHBondContact NH2-OD1 2.97Å; R13-D38 IonicContact NH2-OD2 3.1Å; R13-D38 PolarHBondContact NH2-OD2 3.34Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.32Å; R20-D38 HydrophobicContact CG-CB 4.33Å; R20-D38 IonicContact NE-OD2 3.08Å; D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 PolarHBondContact OD1-N 3.15Å; D36-D38 VanDerWaalsContact OD1-N 3.1Å
39A97.9Very high98.3Very high34 Ų3451.7 Ų51.728%0.28129%0.289SS..SBendtrans-62.3150.7172.200000110.8D36 S37 S41 P42D36-A39 HydrophobicContact CB-CB 4.47Å; D36-A39 WeakPolarHBondContact O-CB 3.41Å; D36-A39 PolarHBondContact O-N 3.33Å; D36-A39 VanDerWaalsContact O-N 3.16Å; S37-A39 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.2Å; A39-P42 VanDerWaalsContact O-CD 3.24Å; A39-P42 WeakPolarHBondContact O-CD 3.44Å; A39-P42 WeakPolarHBondContact O-CG 3.39Å
40A97.8Very high98.3Very high117 Ų11749.7 Ų49.797%0.96728%0.276SS*.SBendtrans-59.9-32.3-179.900000112.9
41S97.8Very high98.3Very high80 Ų8048.9 Ų48.956%0.55927%0.271SS*.SBendtrans-135.787.1172.3-173.50000108.9A39 R43A39-S41 PolarHBondContact O-N 3.2Å; S41-R43 PolarHBondContact O-N 2.92Å; S41-R43 VanDerWaalsContact O-N 3.13Å
42P98.2Very high98.2Very high32 Ų3252.2 Ų52.221%0.20829%0.287CS..  trans-61.3116.9-173.8-25.736.1000112.2F35 S37 A39 K67F35-P42 HydrophobicContact CE1-CB 4.37Å; F35-P42 HydrophobicContact CE2-CB 3.87Å; F35-P42 HydrophobicContact CZ-CB 3.6Å; S37-P42 WeakPolarHBondContact O-CG 3.07Å; A39-P42 VanDerWaalsContact O-CD 3.24Å; A39-P42 WeakPolarHBondContact O-CD 3.44Å; A39-P42 WeakPolarHBondContact O-CG 3.39Å; P42-K67 VanDerWaalsContact O-CE 3.23Å; P42-K67 WeakPolarHBondContact O-CE 3.35Å; P42-K67 PolarHBondContact O-NZ 3.05Å
43R98.6Very high98.1Very high135 Ų13557.7 Ų57.751%0.50931%0.313SS..  trans-144.1157.7177.8-69.1-167.7165.4-158.7-11.5110F35 S41 T63F35-R43 VanDerWaalsContact CD2-C 3.45Å; F35-R43 WeakPolarHBondContact CD2-O 3.2Å; S41-R43 PolarHBondContact O-N 2.92Å; S41-R43 VanDerWaalsContact O-N 3.13Å; R43-T63 HydrophobicContact CB-CG2 4.39Å; R43-T63 HydrophobicContact CG-CG2 4.15Å
44E98.6Very high98.1Very high8 Ų858.4 Ų58.44%0.03732%0.316CS..  trans-68.1129163.8-171179.1-130.500108.5V33 R34 Y58 W59 N62 T63 Y66V33-E44 HydrophobicContact CB-CG 3.91Å; V33-E44 WeakPolarHBondContact CB-OE1 3.41Å; V33-E44 HydrophobicContact CG1-CG 3.93Å; V33-E44 WeakPolarHBondContact CG1-OE1 3.26Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.37Å; R34-E44 WeakPolarHBondContact O-CA 3.36Å; E44-Y58 WeakPolarHBondContact OE2-CE1 3.42Å; E44-W59 HydrophobicContact CB-CE3 4.14Å; E44-W59 HydrophobicContact CB-CZ3 4.48Å; E44-W59 HydrophobicContact CG-CE3 4.02Å; E44-W59 HydrophobicContact CG-CZ3 3.89Å; E44-N62 HydrophobicContact CB-CB 4.45Å; E44-N62 WeakPolarHBondContact OE2-CB 3.19Å; E44-N62 PolarHBondContact OE2-ND2 3.23Å; E44-T63 PolarHBondContact N-OG1 3.44Å; E44-Y66 HydrophobicContact CB-CD2 4.07Å; E44-Y66 HydrophobicContact CB-CE2 3.75Å; E44-Y66 HydrophobicContact CG-CD2 4.42Å; E44-Y66 HydrophobicContact CG-CE2 3.62Å; E44-Y66 WeakPolarHBondContact OE1-CE2 3.37Å; E44-Y66 PolarHBondContact OE1-OH 3.3Å
45E98.6Very high98Very high76 Ų7655.8 Ų55.836%0.35532%0.315SS..EExtended strand (participates in β ladder)trans-118.4138.5-177.7-64.5-18017000110.4V33 R34 R47V33-E45 WeakPolarHBondContact CA-O 3.34Å; R34-E45 PolarHBondContact N-O 3.17Å; R34-E45 PolarHBondContact O-N 3.32Å; E45-R47 IonicContact OE2-CZ 3.96Å; E45-R47 IonicContact OE2-NH1 2.97Å; E45-R47 IonicContact OE2-NH2 3.69Å; E45-R47 PolarHBondContact OE2-NH2 3.41Å
46P98.6Very high98Very high46 Ų4659.6 Ų59.630%0.29934%0.34SS..EExtended strand (participates in β ladder)trans-66.8144.7174.928.3-34.4000111.4I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.75Å; P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.15Å; P46-W59 HydrophobicContact CB-CH2 3.7Å; P46-W59 HydrophobicContact CB-CZ2 4.17Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.31Å
47R98.3Very high97.9Very high109 Ų10965.7 Ų65.741%0.41137%0.368SS..  trans-129.3-2.2174-62.3-63.9179.4-128.3-0.4113.5Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.17Å; Q31-R47 HydrophobicContact CG-CG 4.4Å; F32-R47 PolarHBondContact O-N 2.79Å; R34-R47 HydrophobicContact CB-CG 4.14Å; E45-R47 IonicContact OE2-CZ 3.96Å; E45-R47 IonicContact OE2-NH1 2.97Å; E45-R47 IonicContact OE2-NH2 3.69Å; E45-R47 PolarHBondContact OE2-NH2 3.41Å
48A97.3Very high97.9Very high5 Ų565 Ų654%0.04136%0.36CS..SBendtrans-135.4143.3172.900000110.9F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.03Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.19Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.03Å; A48-W50 PolarHBondContact O-N 2.92Å; A48-I51 WeakPolarHBondContact O-CG2 3.17Å; A48-I51 PolarHBondContact O-N 3.23Å
49P97.4Very high97.9Very high107 Ų10763.8 Ų63.870%0.69535%0.351SS*.G310 helixtrans-59.5-34.5-177-26.835.1000114.2I51 E52P49-I51 VanDerWaalsContact C-N 3.26Å; P49-I51 PolarHBondContact O-N 3.21Å; P49-E52 WeakPolarHBondContact O-CB 3.47Å; P49-E52 PolarHBondContact O-N 3.21Å
50W97.3Very high98Very high21 Ų2166 Ų668%0.0836%0.358CS..G310 helixtrans-72-15.1-175.752.9-105.5000114.1V27 F32 A48 Q53 Y170 L178V27-W50 HydrophobicContact CB-CH2 4.48Å; V27-W50 HydrophobicContact CB-CZ2 4.49Å; V27-W50 HydrophobicContact CG2-CH2 3.9Å; V27-W50 HydrophobicContact CG2-CZ2 4.39Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.98Å; F32-W50 AromaticContact CD1-CH2 3.98Å; F32-W50 HydrophobicContact CD1-CH2 3.98Å; F32-W50 AromaticContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CH2 3.75Å; F32-W50 HydrophobicContact CD2-CZ3 4.04Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.05Å; F32-W50 HydrophobicContact CG-CZ3 4.13Å; A48-W50 VanDerWaalsContact C-N 3.27Å; A48-W50 HydrophobicContact CB-CD2 4.19Å; A48-W50 HydrophobicContact CB-CG 4.39Å; A48-W50 HydrophobicContact CB-CZ2 4.03Å; A48-W50 PolarHBondContact O-N 2.92Å; W50-Q53 WeakPolarHBondContact O-CG 3.39Å; W50-Q53 PolarHBondContact O-NE2 2.69Å; W50-Y170 HydrophobicContact CE3-CD1 4.28Å; W50-Y170 HydrophobicContact CE3-CG 4.44Å; W50-Y170 HydrophobicContact CH2-CD2 4.42Å; W50-Y170 HydrophobicContact CH2-CG 4.1Å; W50-Y170 AromaticContact CZ3-CD1 3.64Å; W50-Y170 HydrophobicContact CZ3-CD1 3.64Å; W50-Y170 HydrophobicContact CZ3-CD2 4.21Å; W50-Y170 HydrophobicContact CZ3-CE1 4.36Å; W50-Y170 AromaticContact CZ3-CG 3.55Å; W50-Y170 HydrophobicContact CZ3-CG 3.55Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.46Å; W50-L178 HydrophobicContact CZ2-CD1 3.89Å; W50-L178 HydrophobicContact CZ2-CD2 4.25Å
51I98.1Very high98Very high0 Ų066.5 Ų66.50%034%0.335CS..G310 helixtrans-87.7-20174.2-163.171.5000111.9F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.44Å; F32-I51 HydrophobicContact CD2-CD1 4.01Å; F32-I51 HydrophobicContact CD2-CG1 4.06Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.46Å; V33-I51 HydrophobicContact CG1-CG1 4.33Å; P46-I51 HydrophobicContact CB-CG2 3.75Å; A48-I51 WeakPolarHBondContact O-CG2 3.17Å; A48-I51 PolarHBondContact O-N 3.23Å; P49-I51 VanDerWaalsContact C-N 3.26Å; P49-I51 PolarHBondContact O-N 3.21Å; I51-Q53 PolarHBondContact O-N 3.15Å; I51-Q53 VanDerWaalsContact O-N 3.08Å; I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.22Å; I51-E54 WeakPolarHBondContact O-CB 3.47Å; I51-E54 WeakPolarHBondContact O-CG 3.23Å; I51-E54 PolarHBondContact O-N 3.06Å; I51-Y58 HydrophobicContact CD1-CE1 4.25Å; I51-Y58 HydrophobicContact CG1-CE1 4.24Å; I51-W59 HydrophobicContact CB-CH2 4.38Å; I51-W59 HydrophobicContact CG1-CH2 3.71Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 3.92Å; I51-W59 HydrophobicContact CG2-CZ2 4.47Å; I51-W59 WeakPolarHBondContact O-CZ2 3.42Å; I51-Y170 HydrophobicContact CD1-CD1 3.88Å; I51-Y170 HydrophobicContact CD1-CE1 3.27Å
52E97.3Very high98Very high125 Ų12563.8 Ų63.858%0.58431%0.314SS*.THydrogen-bonded Turntrans-63.3-19.8-176.8-64.8178.7-171.700113.6P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.15Å; P49-E52 WeakPolarHBondContact O-CB 3.47Å; P49-E52 PolarHBondContact O-N 3.21Å; E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.48Å
53Q96.7Very high98.1Very high115 Ų11562.4 Ų62.454%0.53731%0.305SS..THydrogen-bonded Turntrans-74.1-12.9175.971.8-173.4-45.300114W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.39Å; W50-Q53 PolarHBondContact O-NE2 2.69Å; I51-Q53 PolarHBondContact O-N 3.15Å; I51-Q53 VanDerWaalsContact O-N 3.08Å; Q53-N173 PolarHBondContact NE2-ND2 3.39Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.19Å
54E98Very high98.1Very high14 Ų1461.6 Ų61.67%0.06531%0.307CS..SBendtrans-66.4138.8176.8-63.3-58.2155.800110.8I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.7Å; I51-E54 HydrophobicContact CG1-CG 4.22Å; I51-E54 WeakPolarHBondContact O-CB 3.47Å; I51-E54 WeakPolarHBondContact O-CG 3.23Å; I51-E54 PolarHBondContact O-N 3.06Å; E52-E54 VanDerWaalsContact C-N 3.26Å; E52-E54 PolarHBondContact O-N 3.48Å; E54-Y58 HydrophobicContact CB-CD1 3.69Å; E54-Y58 HydrophobicContact CB-CD2 4.38Å; E54-Y58 HydrophobicContact CB-CE1 4.35Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.17Å; E54-Y58 HydrophobicContact CG-CD2 4.32Å; E54-Y58 HydrophobicContact CG-CE1 4.42Å; E54-Y58 HydrophobicContact CG-CG 4.14Å; E54-W59 HydrophobicContact CB-CZ2 4.47Å; E54-W59 PolarHBondContact O-NE1 2.97Å; E54-R169 VanDerWaalsContact CD-NH2 3.32Å; E54-R169 IonicContact OE1-CZ 3.33Å; E54-R169 IonicContact OE1-NE 3.72Å; E54-R169 PolarHBondContact OE1-NE 3.43Å; E54-R169 IonicContact OE1-NH2 3.73Å; E54-R169 PolarHBondContact OE1-NH2 2.97Å; E54-R169 VanDerWaalsContact OE1-NH2 3.08Å; E54-R169 IonicContact OE2-CZ 2.78Å; E54-R169 IonicContact OE2-NE 3.06Å; E54-R169 IonicContact OE2-NH2 2.64Å; E54-R169 PolarHBondContact OE2-NH2 3.3Å; E54-N173 PolarHBondContact OE1-ND2 3.39Å
55G97.7Very high98.1Very high29 Ų2964.5 Ų64.530%0.29932%0.322SS..  trans-68.8166.9-175.700000113.8E57 Y58G55-E57 PolarHBondContact O-N 2.88Å; G55-E57 VanDerWaalsContact O-N 3.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.13Å; G55-Y58 PolarHBondContact O-N 2.73Å
56P97.9Very high98.1Very high83 Ų8361.1 Ų61.154%0.53931%0.306SS..Hα-helixtrans-56.7-31.418023.8-33000113.2Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 2.83Å; P56-W59 PolarHBondContact O-N 3.17Å; P56-D60 WeakPolarHBondContact O-CB 3.32Å; P56-D60 PolarHBondContact O-N 3.08Å
57E98.1Very high98.1Very high143 Ų14362.8 Ų62.867%0.66831%0.309SS*.Hα-helixtrans-62.9-34.5178.6-59.778.6-171.900112.6G55 R61G55-E57 PolarHBondContact O-N 2.88Å; G55-E57 VanDerWaalsContact O-N 3.15Å; E57-R61 WeakPolarHBondContact O-CB 3.47Å; E57-R61 PolarHBondContact O-N 3.42Å
58Y98.3Very high98.1Very high19 Ų1960.3 Ų60.38%0.07531%0.311CS..Hα-helixtrans-63.9-53175.4172.4-89.9000110.3E44 I51 E54 G55 P56 D60 R61 N62 W166 Y170E44-Y58 WeakPolarHBondContact OE2-CE1 3.42Å; I51-Y58 HydrophobicContact CD1-CE1 4.25Å; I51-Y58 HydrophobicContact CG1-CE1 4.24Å; E54-Y58 HydrophobicContact CB-CD1 3.69Å; E54-Y58 HydrophobicContact CB-CD2 4.38Å; E54-Y58 HydrophobicContact CB-CE1 4.35Å; E54-Y58 HydrophobicContact CB-CG 3.73Å; E54-Y58 HydrophobicContact CG-CD1 4.17Å; E54-Y58 HydrophobicContact CG-CD2 4.32Å; E54-Y58 HydrophobicContact CG-CE1 4.42Å; E54-Y58 HydrophobicContact CG-CG 4.14Å; G55-Y58 WeakPolarHBondContact O-CB 3.13Å; G55-Y58 PolarHBondContact O-N 2.73Å; P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 2.83Å; Y58-D60 PolarHBondContact O-N 3.34Å; Y58-R61 PolarHBondContact O-N 2.99Å; Y58-N62 VanDerWaalsContact CE1-ND2 3.3Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.44Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.49Å; Y58-N62 WeakPolarHBondContact O-CB 3.24Å; Y58-N62 PolarHBondContact O-N 2.86Å; Y58-N62 PolarHBondContact OH-ND2 2.81Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.11Å; Y58-W166 AromaticContact CD2-CZ3 3.99Å; Y58-W166 HydrophobicContact CD2-CZ3 3.99Å; Y58-W166 HydrophobicContact CE2-CE3 4.4Å; Y58-W166 AromaticContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CZ2 4.34Å; Y58-W166 AromaticContact CE2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CZ3 3.91Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.25Å; Y58-Y170 PolarHBondContact OH-OH 3.07Å
59W98.6Very high98.2Very high41 Ų4161.7 Ų61.716%0.15532%0.317CS..Hα-helixtrans-64.2-41.4-177.9-59.9110.6000112.5V33 E44 P46 I51 E54 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.26Å; V33-W59 HydrophobicContact CG1-CZ3 3.94Å; E44-W59 HydrophobicContact CB-CE3 4.14Å; E44-W59 HydrophobicContact CB-CZ3 4.48Å; E44-W59 HydrophobicContact CG-CE3 4.02Å; E44-W59 HydrophobicContact CG-CZ3 3.89Å; P46-W59 HydrophobicContact CB-CH2 3.7Å; P46-W59 HydrophobicContact CB-CZ2 4.17Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.31Å; I51-W59 HydrophobicContact CB-CH2 4.38Å; I51-W59 HydrophobicContact CG1-CH2 3.71Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 3.92Å; I51-W59 HydrophobicContact CG2-CZ2 4.47Å; I51-W59 WeakPolarHBondContact O-CZ2 3.42Å; E54-W59 HydrophobicContact CB-CZ2 4.47Å; E54-W59 PolarHBondContact O-NE1 2.97Å; P56-W59 PolarHBondContact O-N 3.17Å; W59-T63 WeakPolarHBondContact O-CB 3.25Å; W59-T63 PolarHBondContact O-N 3.02Å; W59-T63 PolarHBondContact O-OG1 2.98Å
60D98.6Very high98.2Very high80 Ų8057.4 Ų57.443%0.42829%0.291SS..Hα-helixtrans-67.4-46.4177.9-77.8-21.9000111P56 Y58 T63 Q64P56-D60 WeakPolarHBondContact O-CB 3.32Å; P56-D60 PolarHBondContact O-N 3.08Å; Y58-D60 PolarHBondContact O-N 3.34Å; D60-T63 PolarHBondContact O-N 3.3Å; D60-Q64 WeakPolarHBondContact O-CG 3.41Å; D60-Q64 PolarHBondContact O-N 3.15Å; D60-Q64 VanDerWaalsContact O-N 3.1Å
61R98.4Very high98.3Very high129 Ų12961.7 Ų61.749%0.48731%0.312SS..Hα-helixtrans-57.5-52.6177177.4-179.6169.9-169.3-8.3111.1E57 Y58 T63 Q64 I65 E162E57-R61 WeakPolarHBondContact O-CB 3.47Å; E57-R61 PolarHBondContact O-N 3.42Å; Y58-R61 PolarHBondContact O-N 2.99Å; R61-T63 PolarHBondContact O-N 2.89Å; R61-Q64 PolarHBondContact O-N 3.28Å; R61-Q64 VanDerWaalsContact O-N 3.17Å; R61-I65 HydrophobicContact CG-CD1 4.06Å; R61-I65 WeakPolarHBondContact O-CG1 3.34Å; R61-I65 PolarHBondContact O-N 3.46Å; R61-E162 IonicContact CZ-OE2 3.5Å; R61-E162 IonicContact NH2-OE2 3.35Å; R61-E162 PolarHBondContact NH2-OE2 3.2Å
62N98.4Very high98.3Very high22 Ų2265.1 Ų65.112%0.11833%0.332CS..Hα-helixtrans-69.1-36.1-176.3-69.4-17000112.5E44 Y58 Q64 I65 Y66E44-N62 HydrophobicContact CB-CB 4.45Å; E44-N62 WeakPolarHBondContact OE2-CB 3.19Å; E44-N62 PolarHBondContact OE2-ND2 3.23Å; Y58-N62 VanDerWaalsContact CE1-ND2 3.3Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.44Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.49Å; Y58-N62 WeakPolarHBondContact O-CB 3.24Å; Y58-N62 PolarHBondContact O-N 2.86Å; Y58-N62 PolarHBondContact OH-ND2 2.81Å; N62-Q64 VanDerWaalsContact C-N 3.26Å; N62-Q64 PolarHBondContact O-N 2.66Å; N62-I65 WeakPolarHBondContact O-CB 3.12Å; N62-I65 PolarHBondContact O-N 2.79Å; N62-I65 VanDerWaalsContact O-N 3.1Å; N62-Y66 HydrophobicContact CB-CE2 4.17Å; N62-Y66 WeakPolarHBondContact O-CD2 3.44Å; N62-Y66 PolarHBondContact O-N 3.47Å
63T98.8Very high98.3Very high4 Ų459.2 Ų59.23%0.02531%0.305CS..Hα-helixtrans-56.5-42171.4-68.50000111.4R43 E44 W59 D60 R61 K67R43-T63 HydrophobicContact CB-CG2 4.39Å; R43-T63 HydrophobicContact CG-CG2 4.15Å; E44-T63 PolarHBondContact N-OG1 3.44Å; W59-T63 WeakPolarHBondContact O-CB 3.25Å; W59-T63 PolarHBondContact O-N 3.02Å; W59-T63 PolarHBondContact O-OG1 2.98Å; D60-T63 PolarHBondContact O-N 3.3Å; R61-T63 PolarHBondContact O-N 2.89Å; T63-K67 HydrophobicContact CG2-CD 4.18Å; T63-K67 WeakPolarHBondContact O-CG 3.25Å; T63-K67 PolarHBondContact O-N 3.03Å; T63-K67 VanDerWaalsContact O-N 3.09Å
64Q98.7Very high98.4Very high117 Ų11756.6 Ų56.655%0.54729%0.29SS..Hα-helixtrans-68-38.7175.7-63.2-54.9-32.100112.1D60 R61 N62 K67 A68D60-Q64 WeakPolarHBondContact O-CG 3.41Å; D60-Q64 PolarHBondContact O-N 3.15Å; D60-Q64 VanDerWaalsContact O-N 3.1Å; R61-Q64 PolarHBondContact O-N 3.28Å; R61-Q64 VanDerWaalsContact O-N 3.17Å; N62-Q64 VanDerWaalsContact C-N 3.26Å; N62-Q64 PolarHBondContact O-N 2.66Å; Q64-K67 PolarHBondContact O-N 2.87Å; Q64-A68 WeakPolarHBondContact O-CB 3.14Å; Q64-A68 PolarHBondContact O-N 3.49Å
65I98.5Very high98.4Very high70 Ų7061.5 Ų61.536%0.35931%0.313SS..Hα-helixtrans-58.3-49.9175.2-68.8169.2000110.6R61 N62 K67 A68 Q69R61-I65 HydrophobicContact CG-CD1 4.06Å; R61-I65 WeakPolarHBondContact O-CG1 3.34Å; R61-I65 PolarHBondContact O-N 3.46Å; N62-I65 WeakPolarHBondContact O-CB 3.12Å; N62-I65 PolarHBondContact O-N 2.79Å; N62-I65 VanDerWaalsContact O-N 3.1Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 2.78Å; I65-A68 PolarHBondContact O-N 3.47Å; I65-Q69 WeakPolarHBondContact O-CB 3.13Å; I65-Q69 PolarHBondContact O-N 3.32Å
66Y98.8Very high98.5Very high5 Ų562 Ų622%0.0231%0.311CS..Hα-helixtrans-64.7-37178.5-64.5-55.7000112.9Y6 Y8 F21 A23 F35 E44 N62 Q69 A70Y6-Y66 WeakPolarHBondContact CE1-OH 3.43Å; Y8-Y66 HydrophobicContact CE1-CD1 4.21Å; Y8-Y66 AromaticContact CE1-CE1 3.72Å; Y8-Y66 HydrophobicContact CE1-CE1 3.72Å; Y8-Y66 AromaticContact CZ-CE1 3.82Å; Y8-Y66 VanDerWaalsContact OH-CE1 3.32Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.22Å; F21-Y66 HydrophobicContact CE1-CD1 4.04Å; F21-Y66 HydrophobicContact CE1-CG 4.39Å; F21-Y66 HydrophobicContact CZ-CD1 4.26Å; A23-Y66 HydrophobicContact CB-CD1 3.6Å; A23-Y66 HydrophobicContact CB-CE1 3.51Å; A23-Y66 HydrophobicContact CB-CG 4.47Å; F35-Y66 HydrophobicContact CB-CD1 4.41Å; F35-Y66 HydrophobicContact CB-CD2 3.69Å; F35-Y66 HydrophobicContact CB-CE2 4.17Å; F35-Y66 HydrophobicContact CB-CG 3.83Å; F35-Y66 HydrophobicContact CD1-CG 4.38Å; F35-Y66 AromaticContact CD2-CD2 3.8Å; F35-Y66 HydrophobicContact CD2-CD2 3.8Å; F35-Y66 HydrophobicContact CD2-CG 4.01Å; F35-Y66 AromaticContact CG-CD2 3.89Å; F35-Y66 HydrophobicContact CG-CD2 3.89Å; F35-Y66 AromaticContact CG-CG 3.83Å; F35-Y66 HydrophobicContact CG-CG 3.83Å; E44-Y66 HydrophobicContact CB-CD2 4.07Å; E44-Y66 HydrophobicContact CB-CE2 3.75Å; E44-Y66 HydrophobicContact CG-CD2 4.42Å; E44-Y66 HydrophobicContact CG-CE2 3.62Å; E44-Y66 WeakPolarHBondContact OE1-CE2 3.37Å; E44-Y66 PolarHBondContact OE1-OH 3.3Å; N62-Y66 HydrophobicContact CB-CE2 4.17Å; N62-Y66 WeakPolarHBondContact O-CD2 3.44Å; N62-Y66 PolarHBondContact O-N 3.47Å; Y66-Q69 PolarHBondContact O-N 2.89Å; Y66-A70 WeakPolarHBondContact O-CB 3.13Å; Y66-A70 PolarHBondContact O-N 3.29Å
67K98.7Very high98.5Very high81 Ų8158.5 Ų58.535%0.35229%0.288SS..Hα-helixtrans-64.3-41.2174.9-77.3175.7175.6175.90112.2F35 P42 T63 Q64 I65 Q71F35-K67 HydrophobicContact CE2-CG 4.2Å; F35-K67 HydrophobicContact CZ-CG 3.93Å; P42-K67 VanDerWaalsContact O-CE 3.23Å; P42-K67 WeakPolarHBondContact O-CE 3.35Å; P42-K67 PolarHBondContact O-NZ 3.05Å; T63-K67 HydrophobicContact CG2-CD 4.18Å; T63-K67 WeakPolarHBondContact O-CG 3.25Å; T63-K67 PolarHBondContact O-N 3.03Å; T63-K67 VanDerWaalsContact O-N 3.09Å; Q64-K67 PolarHBondContact O-N 2.87Å; I65-K67 VanDerWaalsContact C-N 3.34Å; I65-K67 PolarHBondContact O-N 2.78Å; K67-Q71 PolarHBondContact O-N 3.28Å
68A98.7Very high98.5Very high56 Ų5657.7 Ų57.746%0.46328%0.279SS..Hα-helixtrans-65-46.7174.500000110.8Q64 I65 A70 Q71 T72Q64-A68 WeakPolarHBondContact O-CB 3.14Å; Q64-A68 PolarHBondContact O-N 3.49Å; I65-A68 PolarHBondContact O-N 3.47Å; A68-A70 VanDerWaalsContact C-N 3.32Å; A68-A70 PolarHBondContact O-N 2.8Å; A68-Q71 WeakPolarHBondContact O-CB 3.33Å; A68-Q71 PolarHBondContact O-N 3.25Å; A68-T72 PolarHBondContact O-N 3.48Å; A68-T72 PolarHBondContact O-OG1 3.18Å
69Q98.6Very high98.5Very high35 Ų3559.7 Ų59.716%0.16429%0.291CS..Hα-helixtrans-59.9-40.5178-171.16354.400112.1Y8 F21 I65 Y66 Q71 T72 D73Y8-Q69 HydrophobicContact CD2-CG 3.83Å; Y8-Q69 HydrophobicContact CE2-CG 3.8Å; F21-Q69 HydrophobicContact CE2-CB 4.24Å; F21-Q69 HydrophobicContact CE2-CG 3.72Å; F21-Q69 HydrophobicContact CZ-CB 4.08Å; F21-Q69 HydrophobicContact CZ-CG 3.87Å; I65-Q69 WeakPolarHBondContact O-CB 3.13Å; I65-Q69 PolarHBondContact O-N 3.32Å; Y66-Q69 PolarHBondContact O-N 2.89Å; Q69-Q71 PolarHBondContact O-N 3.41Å; Q69-T72 WeakPolarHBondContact O-CB 3.38Å; Q69-T72 PolarHBondContact O-N 3.07Å; Q69-T72 VanDerWaalsContact O-N 3.11Å; Q69-D73 PolarHBondContact NE2-OD1 2.88Å; Q69-D73 WeakPolarHBondContact O-CB 3.2Å; Q69-D73 PolarHBondContact O-N 2.84Å
70A98.6Very high98.5Very high17 Ų1758 Ų5814%0.1429%0.285CS..Hα-helixtrans-59.4-34.8175.500000112.6F21 Y66 A68 R74F21-A70 HydrophobicContact CB-CB 3.63Å; F21-A70 HydrophobicContact CD1-CB 3.99Å; F21-A70 HydrophobicContact CD2-CB 4.17Å; F21-A70 HydrophobicContact CG-CB 3.67Å; Y66-A70 WeakPolarHBondContact O-CB 3.13Å; Y66-A70 PolarHBondContact O-N 3.29Å; A68-A70 VanDerWaalsContact C-N 3.32Å; A68-A70 PolarHBondContact O-N 2.8Å; A70-R74 WeakPolarHBondContact O-CB 3.21Å; A70-R74 PolarHBondContact O-N 2.87Å; A70-R74 VanDerWaalsContact O-N 3.13Å
71Q98.4Very high98.4Very high111 Ų11157.3 Ų57.352%0.51928%0.277SS..Hα-helixtrans-73.1-40.9173.6-61.8-51.9-49.600111.9K67 A68 Q69 D73 R74 E75K67-Q71 PolarHBondContact O-N 3.28Å; A68-Q71 WeakPolarHBondContact O-CB 3.33Å; A68-Q71 PolarHBondContact O-N 3.25Å; Q69-Q71 PolarHBondContact O-N 3.41Å; Q71-D73 VanDerWaalsContact C-N 3.34Å; Q71-D73 PolarHBondContact O-N 2.82Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 3.32Å; Q71-E75 PolarHBondContact O-N 2.85Å
72T98.4Very high98.4Very high71 Ų7153.3 Ų53.344%0.43628%0.275SS..Hα-helixtrans-60.2-43174.8-59.80000111.8A68 Q69 E75 S76A68-T72 PolarHBondContact O-N 3.48Å; A68-T72 PolarHBondContact O-OG1 3.18Å; Q69-T72 WeakPolarHBondContact O-CB 3.38Å; Q69-T72 PolarHBondContact O-N 3.07Å; Q69-T72 VanDerWaalsContact O-N 3.11Å; T72-E75 PolarHBondContact O-N 3.49Å; T72-S76 WeakPolarHBondContact O-CB 3.35Å; T72-S76 PolarHBondContact O-N 3.33Å; T72-S76 PolarHBondContact O-OG 2.62Å
73D98.5Very high98.4Very high1 Ų154.8 Ų54.81%0.00528%0.28CS..Hα-helixtrans-67.8-37178.1-79.917.1000111.6S10 F21 Q69 Q71 E75 S76 L77 L94S10-D73 WeakPolarHBondContact OG-CB 3.42Å; S10-D73 PolarHBondContact OG-OD2 3.26Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.47Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.22Å; Q69-D73 PolarHBondContact NE2-OD1 2.88Å; Q69-D73 WeakPolarHBondContact O-CB 3.2Å; Q69-D73 PolarHBondContact O-N 2.84Å; Q71-D73 VanDerWaalsContact C-N 3.34Å; Q71-D73 PolarHBondContact O-N 2.82Å; D73-E75 VanDerWaalsContact C-N 3.35Å; D73-E75 PolarHBondContact O-N 2.83Å; D73-S76 PolarHBondContact O-N 3.13Å; D73-L77 WeakPolarHBondContact O-CB 3.38Å; D73-L77 WeakPolarHBondContact O-CG 3.16Å; D73-L77 PolarHBondContact O-N 2.87Å; D73-L94 HydrophobicContact CB-CD2 4.2Å
74R98.3Very high98.4Very high60 Ų6057.8 Ų57.823%0.22629%0.291CS..Hα-helixtrans-60.7-43.9173.7176.9-172.7-179.1-162.91.5111.6E18 P19 A70 Q71 R78E18-R74 VanDerWaalsContact CD-NE 3.29Å; E18-R74 IonicContact OE1-CZ 3.66Å; E18-R74 IonicContact OE1-NE 3.73Å; E18-R74 IonicContact OE1-NH2 2.74Å; E18-R74 PolarHBondContact OE1-NH2 3.31Å; E18-R74 WeakPolarHBondContact OE2-CD 3.39Å; E18-R74 IonicContact OE2-CZ 2.78Å; E18-R74 IonicContact OE2-NE 3.99Å; E18-R74 PolarHBondContact OE2-NE 2.82Å; E18-R74 IonicContact OE2-NH2 2.79Å; E18-R74 PolarHBondContact OE2-NH2 3.25Å; E18-R74 VanDerWaalsContact OE2-NH2 3.1Å; P19-R74 HydrophobicContact CG-CB 4.46Å; P19-R74 HydrophobicContact CG-CG 4.25Å; A70-R74 WeakPolarHBondContact O-CB 3.21Å; A70-R74 PolarHBondContact O-N 2.87Å; A70-R74 VanDerWaalsContact O-N 3.13Å; Q71-R74 WeakPolarHBondContact O-CB 3.39Å; Q71-R74 PolarHBondContact O-N 3.32Å; R74-R78 VanDerWaalsContact NE-NH2 3.18Å; R74-R78 WeakPolarHBondContact O-CG 3.5Å; R74-R78 PolarHBondContact O-N 2.81Å
75E98.3Very high98.3Very high118 Ų11859.5 Ų59.555%0.55130%0.304SS*.Hα-helixtrans-66.6-42.3174.2-171.7179.2166.200111.4Q71 T72 D73 L77 R78 N79Q71-E75 PolarHBondContact O-N 2.85Å; T72-E75 PolarHBondContact O-N 3.49Å; D73-E75 VanDerWaalsContact C-N 3.35Å; D73-E75 PolarHBondContact O-N 2.83Å; E75-L77 PolarHBondContact O-N 3.36Å; E75-R78 WeakPolarHBondContact O-CB 3.33Å; E75-R78 PolarHBondContact O-N 3.05Å; E75-R78 VanDerWaalsContact O-N 3.08Å; E75-N79 PolarHBondContact O-N 2.75Å
76S98.4Very high98.3Very high38 Ų3859 Ų5927%0.26630%0.3SS..Hα-helixtrans-59.5-44177.8-60.70000111.8T72 D73 R78 N79 L80T72-S76 WeakPolarHBondContact O-CB 3.35Å; T72-S76 PolarHBondContact O-N 3.33Å; T72-S76 PolarHBondContact O-OG 2.62Å; D73-S76 PolarHBondContact O-N 3.13Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.29Å; S76-N79 PolarHBondContact O-N 3.1Å; S76-L80 WeakPolarHBondContact O-CB 3.31Å; S76-L80 WeakPolarHBondContact O-CD1 3.49Å; S76-L80 WeakPolarHBondContact O-CG 3.28Å; S76-L80 PolarHBondContact O-N 2.81Å
77L98.6Very high98.1Very high10 Ų1062.6 Ų62.65%0.05233%0.326CS..Hα-helixtrans-59.4-36.7174.6-77.4168.4000112.6P19 D73 E75 R81 H92 L94 Y117P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.78Å; D73-L77 WeakPolarHBondContact O-CB 3.38Å; D73-L77 WeakPolarHBondContact O-CG 3.16Å; D73-L77 PolarHBondContact O-N 2.87Å; E75-L77 PolarHBondContact O-N 3.36Å; L77-R81 WeakPolarHBondContact O-CB 3.45Å; L77-R81 PolarHBondContact O-N 3.48Å; L77-R81 VanDerWaalsContact O-N 3.15Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; L77-L94 HydrophobicContact CD2-CB 3.75Å; L77-L94 HydrophobicContact CG-CB 4.15Å; L77-Y117 HydrophobicContact CD2-CE2 3.98Å
78R97.9Very high97.9Very high126 Ų12665.1 Ų65.148%0.47534%0.339SS..Hα-helixtrans-68.5-43.6174.8-68.7173.8-179.4168.6-0.2111.7R74 E75 S76 G82R74-R78 VanDerWaalsContact NE-NH2 3.18Å; R74-R78 WeakPolarHBondContact O-CG 3.5Å; R74-R78 PolarHBondContact O-N 2.81Å; E75-R78 WeakPolarHBondContact O-CB 3.33Å; E75-R78 PolarHBondContact O-N 3.05Å; E75-R78 VanDerWaalsContact O-N 3.08Å; S76-R78 VanDerWaalsContact C-N 3.29Å; S76-R78 PolarHBondContact O-N 3.29Å; R78-G82 PolarHBondContact O-N 3.11Å
79N98.1Very high97.7Very high61 Ų6166.3 Ų66.333%0.32635%0.349SS..Hα-helixtrans-63.9-47.5178.5-70.8-24.8000111.4E75 S76 R81 G82 Y83E75-N79 PolarHBondContact O-N 2.75Å; S76-N79 PolarHBondContact O-N 3.1Å; N79-R81 PolarHBondContact O-N 3.02Å; N79-G82 CarbonylContact O-C 3.58Å; N79-G82 WeakPolarHBondContact O-CA 3.39Å; N79-G82 PolarHBondContact O-N 2.88Å; N79-Y83 HydrophobicContact CB-CE2 4.45Å; N79-Y83 WeakPolarHBondContact O-CD1 3.14Å; N79-Y83 PolarHBondContact O-N 3.14Å
80L98.4Very high97.5Very high6 Ų665.9 Ų65.93%0.03135%0.354CS..Hα-helixtrans-58.2-48.2178.5-72.7163.5000111.3S76 G82 Y83 Y84 L94 Y117 Y122S76-L80 WeakPolarHBondContact O-CB 3.31Å; S76-L80 WeakPolarHBondContact O-CD1 3.49Å; S76-L80 WeakPolarHBondContact O-CG 3.28Å; S76-L80 PolarHBondContact O-N 2.81Å; L80-G82 PolarHBondContact O-N 2.78Å; L80-Y83 PolarHBondContact O-N 3.34Å; L80-Y84 HydrophobicContact CD2-CE2 4.17Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.48Å; L80-Y84 PolarHBondContact O-N 2.98Å; L80-L94 HydrophobicContact CD1-CD1 3.95Å; L80-L94 HydrophobicContact CD1-CD2 4.37Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.21Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.85Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.91Å; L80-Y117 HydrophobicContact CD1-CG 4.1Å; L80-Y117 HydrophobicContact CD2-CG 4.34Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.44Å; L80-Y122 HydrophobicContact CD2-CD1 4.39Å; L80-Y122 HydrophobicContact CD2-CD2 3.96Å; L80-Y122 HydrophobicContact CD2-CE1 3.88Å; L80-Y122 HydrophobicContact CD2-CE2 3.37Å; L80-Y122 HydrophobicContact CD2-CG 4.44Å
81R97.7Very high97.5Very high65 Ų6568.7 Ų68.725%0.24537%0.373CS..Hα-helixtrans-54-41174.6-174.5-170.565.3-177.59.7112L77 N79 N85 Q86 E88L77-R81 WeakPolarHBondContact O-CB 3.45Å; L77-R81 PolarHBondContact O-N 3.48Å; L77-R81 VanDerWaalsContact O-N 3.15Å; N79-R81 PolarHBondContact O-N 3.02Å; R81-N85 PolarHBondContact O-N 3.26Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.49Å; R81-Q86 PolarHBondContact O-N 3.4Å; R81-E88 IonicContact CZ-OE1 3.23Å; R81-E88 VanDerWaalsContact CZ-OE1 3.23Å; R81-E88 IonicContact NH1-OE1 3.49Å; R81-E88 PolarHBondContact NH1-OE1 2.61Å; R81-E88 IonicContact NH2-OE1 3.55Å; R81-E88 PolarHBondContact NH2-OE1 3.39Å
82G97.7Very high97.5Very high45 Ų4564.4 Ų64.446%0.46435%0.353SS..Hα-helixtrans-65.4-46.5174.800000113R78 N79 L80 Y84 N85R78-G82 PolarHBondContact O-N 3.11Å; N79-G82 CarbonylContact O-C 3.58Å; N79-G82 WeakPolarHBondContact O-CA 3.39Å; N79-G82 PolarHBondContact O-N 2.88Å; L80-G82 PolarHBondContact O-N 2.78Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.43Å; G82-N85 PolarHBondContact O-N 2.9Å; G82-N85 VanDerWaalsContact O-N 3.16Å
83Y98.1Very high97.5Very high53 Ų5362.7 Ų62.721%0.20834%0.342CS..Hα-helixtrans-61.6-35.5179.4-60.4-18.1000112.7N79 L80 A138 I141 K145N79-Y83 HydrophobicContact CB-CE2 4.45Å; N79-Y83 WeakPolarHBondContact O-CD1 3.14Å; N79-Y83 PolarHBondContact O-N 3.14Å; L80-Y83 PolarHBondContact O-N 3.34Å; Y83-A138 HydrophobicContact CD2-CB 4.5Å; Y83-I141 HydrophobicContact CD1-CD1 3.98Å; Y83-I141 HydrophobicContact CE1-CD1 4.29Å; Y83-I141 HydrophobicContact CE1-CG2 3.94Å; Y83-I141 HydrophobicContact CE2-CB 4.3Å; Y83-I141 HydrophobicContact CE2-CG2 4.21Å; Y83-I141 HydrophobicContact CG-CD1 4.15Å; Y83-K145 PolarHBondContact OH-NZ 2.82Å
84Y98.1Very high97.5Very high67 Ų6762.9 Ų62.926%0.26334%0.343SS..THydrogen-bonded Turntrans-92.24.3179-69.8-71.4000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.17Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.48Å; L80-Y84 PolarHBondContact O-N 2.98Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.43Å; Y84-Q86 PolarHBondContact O-N 2.87Å; Y84-Y117 AromaticContact CD2-CD1 3.67Å; Y84-Y117 HydrophobicContact CD2-CD1 3.67Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.46Å; Y84-Y117 HydrophobicContact CE2-CD1 3.46Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.46Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CG 4.46Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.48Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.39Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 2.91Å; Y84-D136 PolarHBondContact OH-OD2 3.46Å; Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.72Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å
85N97.4Very high97.6Very high154 Ų15463.8 Ų63.882%0.82435%0.35SS*.THydrogen-bonded Turntrans52.239.4-177.6-56.5-66000113.4R81 G82R81-N85 PolarHBondContact O-N 3.26Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.9Å; G82-N85 VanDerWaalsContact O-N 3.16Å
86Q97.7Very high97.6Very high59 Ų5958.4 Ų58.428%0.27633%0.326SS..  trans-88.6154.7-176-71.7165.4-32.400112.2R81 Y84 H92 Y117R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.49Å; R81-Q86 PolarHBondContact O-N 3.4Å; Y84-Q86 PolarHBondContact O-N 2.87Å; Q86-H92 PolarHBondContact NE2-CE1 3.3Å; Q86-H92 PolarHBondContact OE1-CE1 3.11Å; Q86-Y117 PolarHBondContact OE1-OH 3.06Å
87S96.2Very high97.6Very high81 Ų8157.7 Ų57.757%0.56632%0.318SS*.  trans-70.4148.5178.3176.30000112.4A89 G90S87-A89 PolarHBondContact O-N 2.89Å; S87-A89 PolarHBondContact OG-N 2.84Å; S87-G90 PolarHBondContact O-N 3.31Å
88E94Very high97.6Very high133 Ų13359 Ų5962%0.62132%0.323SS*.THydrogen-bonded Turntrans-69-16.4173.9-51.8-153.7130.400113.8P14 R81 G90P14-E88 VanDerWaalsContact CB-O 3.32Å; P14-E88 WeakPolarHBondContact CB-O 3.47Å; P14-E88 WeakPolarHBondContact CG-O 3.49Å; R81-E88 IonicContact CZ-OE1 3.23Å; R81-E88 VanDerWaalsContact CZ-OE1 3.23Å; R81-E88 IonicContact NH1-OE1 3.49Å; R81-E88 PolarHBondContact NH1-OE1 2.61Å; R81-E88 IonicContact NH2-OE1 3.55Å; R81-E88 PolarHBondContact NH2-OE1 3.39Å; E88-G90 VanDerWaalsContact C-N 3.33Å
89A94.4Very high97.7Very high82 Ų8253 Ų5368%0.67830%0.3SS*.THydrogen-bonded Turntrans-79.2-16.6-179.700000113.3S87S87-A89 PolarHBondContact O-N 2.89Å; S87-A89 PolarHBondContact OG-N 2.84Å
90G95Very high97.7Very high26 Ų2650 Ų5027%0.26829%0.285SS..SBendtrans-76.1137.4-178.500000113P14 S87 E88 H92P14-G90 VanDerWaalsContact CG-O 3.23Å; P14-G90 WeakPolarHBondContact CG-O 3.41Å; S87-G90 PolarHBondContact O-N 3.31Å; E88-G90 VanDerWaalsContact C-N 3.33Å; G90-H92 PolarHBondContact O-CD2 2.82Å; G90-H92 VanDerWaalsContact O-CD2 3.25Å
91S97.9Very high97.7Very high76 Ų7651.3 Ų51.353%0.53129%0.291SS..  trans-81.4135.1163.3178.90000108.6S12S12-S91 WeakPolarHBondContact O-CB 3.38Å; S12-S91 PolarHBondContact O-OG 3.4Å
92H98.6Very high97.7Very high20 Ų2048.2 Ų48.29%0.09328%0.28CS..  trans-134.9152.3-176.2-64.9-75.1000110.3S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.96Å; S12-H92 PolarHBondContact OG-N 2.86Å; S12-H92 PolarHBondContact OG-O 2.64Å; L77-H92 HydrophobicContact CD2-CB 4.29Å; Q86-H92 PolarHBondContact NE2-CE1 3.3Å; Q86-H92 PolarHBondContact OE1-CE1 3.11Å; G90-H92 PolarHBondContact O-CD2 2.82Å; G90-H92 VanDerWaalsContact O-CD2 3.25Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.33Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 2.87Å; H92-D118 WeakPolarHBondContact CA-OD1 3.31Å; H92-D118 WeakPolarHBondContact CB-OD1 3.44Å; H92-D118 IonicContact CE1-OD2 3.83Å; H92-D118 IonicContact CG-OD1 2.95Å; H92-D118 IonicContact CG-OD2 3.6Å; H92-D118 IonicContact ND1-OD1 2.66Å; H92-D118 IonicContact ND1-OD2 2.79Å; H92-D118 PolarHBondContact ND1-OD2 3.14Å
93T98.8Very high97.7Very high36 Ų3646.3 Ų46.322%0.22126%0.26CS..EExtended strand (participates in β ladder)trans-122.6128.4-175.3-60.20000110.4T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 4.17Å; S10-T93 CarbonylContact O-C 3.52Å; S10-T93 WeakPolarHBondContact O-CA 3.45Å; V11-T93 HydrophobicContact CG2-CG2 4.31Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; T93-Y117 CarbonylContact O-C 3.56Å; T93-Y117 WeakPolarHBondContact O-CA 3.33Å; T93-Y117 VanDerWaalsContact O-CD2 3.24Å; T93-Y117 WeakPolarHBondContact O-CD2 3.23Å; T93-D118 PolarHBondContact N-OD1 2.89Å; T93-D118 PolarHBondContact O-N 3.05Å
94L98.9Very high97.6Very high5 Ų550 Ų503%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-111.4126.8167.8174.762.7000108.3T9 S10 D73 L77 L80 Y115T9-L94 WeakPolarHBondContact CA-O 3.23Å; S10-L94 PolarHBondContact N-O 2.66Å; S10-L94 PolarHBondContact O-N 2.93Å; D73-L94 HydrophobicContact CB-CD2 4.2Å; L77-L94 HydrophobicContact CD2-CB 3.75Å; L77-L94 HydrophobicContact CG-CB 4.15Å; L80-L94 HydrophobicContact CD1-CD1 3.95Å; L80-L94 HydrophobicContact CD1-CD2 4.37Å; L94-Y115 HydrophobicContact CD1-CD1 4.38Å
95Q98.9Very high97.5Very high78 Ų7851.5 Ų51.536%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-120.4146176.2-67.6171.3-86.300109.8Y8 T9 T93 Y115 A116Y8-Q95 WeakPolarHBondContact O-CA 3.13Å; T9-Q95 HydrophobicContact CG2-CG 4.21Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; Q95-Y115 CarbonylContact O-C 3.52Å; Q95-Y115 VanDerWaalsContact O-CA 3.25Å; Q95-Y115 WeakPolarHBondContact O-CA 3.42Å; Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.45Å; Q95-A116 PolarHBondContact O-N 2.05Å
96S98.6Very high97.4Very high6 Ų644.7 Ų44.74%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-136.2139.1177-380000109.2F7 Y8 Q114 Y115F7-S96 WeakPolarHBondContact CA-O 3.37Å; Y8-S96 PolarHBondContact N-O 3.07Å; Y8-S96 PolarHBondContact O-N 2.86Å; Y8-S96 VanDerWaalsContact O-N 3.07Å; S96-Q114 CarbonylContact C-O 3.55Å; S96-Q114 WeakPolarHBondContact CA-O 3.42Å; S96-Y115 WeakPolarHBondContact OG-CD1 3.2Å; S96-Y115 WeakPolarHBondContact OG-CE1 3.07Å
97M98.8Very high97.4Very high22 Ų2250.1 Ų50.111%0.10829%0.287CS..EExtended strand (participates in β ladder)trans-133.5126.2170.9-174.9-77.8-68.500108.5R5 Y6 F7 H112 D113 Q114R5-M97 PolarHBondContact NH1-SD 3.28Å; Y6-M97 WeakPolarHBondContact O-CA 3.32Å; F7-M97 HydrophobicContact CD1-CB 4.05Å; F7-M97 HydrophobicContact CD1-CG 3.6Å; F7-M97 HydrophobicContact CE1-CB 4.23Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CG-CG 4.47Å; F7-M97 HydrophobicContact CZ-CG 4.07Å; M97-H112 HydrophobicContact CE-CB 3.97Å; M97-H112 HydrophobicContact SD-CB 4.12Å; M97-D113 WeakPolarHBondContact O-CA 3.36Å; M97-Q114 HydrophobicContact CB-CG 4.17Å; M97-Q114 HydrophobicContact CE-CG 3.89Å; M97-Q114 PolarHBondContact N-O 2.82Å; M97-Q114 PolarHBondContact O-N 2.96Å
98Y98.8Very high97.5Very high37 Ų3748.6 Ų48.615%0.14527%0.273CS..EExtended strand (participates in β ladder)trans-143.5160173.369.8-92.1000110.9R5 Y6 Y8 H112 Y158R5-Y98 WeakPolarHBondContact CA-O 3.35Å; Y6-Y98 HydrophobicContact CD2-CD2 4.39Å; Y6-Y98 AromaticContact CD2-CE2 3.62Å; Y6-Y98 HydrophobicContact CD2-CE2 3.62Å; Y6-Y98 AromaticContact CD2-CZ 3.86Å; Y6-Y98 HydrophobicContact CE2-CE2 4.43Å; Y6-Y98 HydrophobicContact CG-CE1 4.5Å; Y6-Y98 HydrophobicContact CG-CE2 4.12Å; Y6-Y98 AromaticContact CG-CZ 3.89Å; Y6-Y98 PolarHBondContact N-O 3.41Å; Y6-Y98 PolarHBondContact O-N 3.03Å; Y8-Y98 HydrophobicContact CD2-CE1 4.22Å; Y8-Y98 HydrophobicContact CE1-CE1 4.33Å; Y8-Y98 AromaticContact CE2-CE1 3.52Å; Y8-Y98 HydrophobicContact CE2-CE1 3.52Å; Y8-Y98 AromaticContact CZ-CE1 3.59Å; Y8-Y98 AromaticContact CZ-CZ 3.95Å; Y8-Y98 PolarHBondContact OH-OH 3.4Å; Y98-H112 CarbonylContact C-O 3.57Å; Y98-H112 WeakPolarHBondContact CA-O 3.44Å; Y98-H112 VanDerWaalsContact CB-O 3.23Å; Y98-H112 WeakPolarHBondContact CB-O 3.43Å; Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.67Å; Y98-Y158 HydrophobicContact CE2-CE1 3.67Å; Y98-Y158 AromaticContact CE2-CZ 3.93Å
99G98.8Very high97.7Very high0 Ų047.8 Ų47.80%027%0.272CS..EExtended strand (participates in β ladder)trans155.1-172.7178.400000113.6M4 G111 H112 L159M4-G99 CarbonylContact O-C 3.53Å; M4-G99 WeakPolarHBondContact O-CA 3.47Å; G99-G111 CarbonylContact O-C 3.6Å; G99-H112 PolarHBondContact N-O 3.04Å; G99-H112 PolarHBondContact O-N 2.95Å; G99-L159 VanDerWaalsContact O-CD2 3.22Å; G99-L159 WeakPolarHBondContact O-CD2 3.24Å
100C98.8Very high97.8Very high0 Ų048.8 Ų48.80%026%0.258CS..EExtended strand (participates in β ladder)trans-131.3144.8-17150.30000111.2S3 M4 L108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.44Å; M4-C100 PolarHBondContact N-O 3.09Å; M4-C100 PolarHBondContact O-N 3.36Å; C100-L108 HydrophobicContact CB-CD1 3.65Å; C100-R110 WeakPolarHBondContact CA-O 3.42Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.19Å; C100-C163 PolarHBondContact N-SG 2.89Å; C100-C163 WeakPolarHBondContact SG-CB 3.33Å; C100-C163 PolarHBondContact SG-O 3.1Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 3.19Å; C100-V164 HydrophobicContact CB-CG2 4.27Å
101D98.7Very high98Very high32 Ų3247.7 Ų47.717%0.17125%0.247CC..EExtended strand (participates in β ladder)trans-109.5134.9171.5-54.6-30.3000108.8H2 S3 R5 L109 R110 H112H2-D101 CarbonylContact O-C 3.54Å; H2-D101 WeakPolarHBondContact O-CA 3.14Å; S3-D101 WeakPolarHBondContact CB-OD1 3.44Å; R5-D101 IonicContact CZ-OD1 2.89Å; R5-D101 IonicContact NE-OD1 2.8Å; R5-D101 PolarHBondContact NE-OD1 2.87Å; R5-D101 IonicContact NH2-OD1 3.27Å; R5-D101 PolarHBondContact NH2-OD1 3.35Å; R5-D101 IonicContact NH2-OD2 3.32Å; R5-D101 PolarHBondContact NH2-OD2 3.07Å; D101-L109 PolarHBondContact O-N 2.89Å; D101-R110 HydrophobicContact CB-CB 4.46Å; D101-R110 PolarHBondContact N-O 2.84Å; D101-R110 PolarHBondContact O-N 2.75Å; D101-H112 IonicContact OD1-NE2 3.85Å; D101-H112 IonicContact OD2-CD2 3.74Å; D101-H112 IonicContact OD2-CE1 3.67Å; D101-H112 IonicContact OD2-NE2 3.67Å; D101-H112 PolarHBondContact OD2-NE2 2.81Å
102V98.6Very high98Very high1 Ų145 Ų451%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-124145.7-179.7-59.90000112.5S1 H2 R107 V164 L167S1-V102 WeakPolarHBondContact CA-O 3.38Å; S1-V102 VanDerWaalsContact CB-O 3.32Å; S1-V102 WeakPolarHBondContact CB-O 3.34Å; H2-V102 HydrophobicContact CB-CG2 4.11Å; H2-V102 PolarHBondContact N-O 3.46Å; H2-V102 PolarHBondContact O-N 2.76Å; V102-R107 VanDerWaalsContact CA-O 3.22Å; V102-R107 WeakPolarHBondContact CA-O 3.45Å; V102-R107 WeakPolarHBondContact CB-O 3.22Å; V102-V164 HydrophobicContact CG1-CB 4.46Å; V102-V164 HydrophobicContact CG1-CG1 4.03Å; V102-V164 HydrophobicContact CG1-CG2 4Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.24Å
103G97.6Very high98Very high4 Ų444.1 Ų44.14%0.04122%0.222CC..  trans-73.5175.4173.600000112.3D105 G106 R107G103-D105 PolarHBondContact O-N 2.92Å; G103-G106 WeakPolarHBondContact O-CA 3.39Å; G103-G106 PolarHBondContact O-N 2.66Å; G103-R107 PolarHBondContact N-O 3.45Å
104P95.6Very high98Very high132 Ų13246.1 Ų46.186%0.85723%0.229SC*.THydrogen-bonded Turntrans-60-24.1173.5-22.533.8000113.8G106P104-G106 PolarHBondContact O-N 3.34Å
105D95.7Very high98Very high97 Ų9747 Ų4752%0.51923%0.232SC..THydrogen-bonded Turntrans-81.83.6173.468.3-12.3000113G103 R107G103-D105 PolarHBondContact O-N 2.92Å; D105-R107 PolarHBondContact O-N 3.25Å; D105-R107 WeakPolarHBondContact OD1-CB 3.41Å; D105-R107 PolarHBondContact OD1-N 3.21Å; D105-R107 WeakPolarHBondContact OD2-CD 3.05Å; D105-R107 WeakPolarHBondContact OD2-CG 3.08Å; D105-R107 IonicContact OD2-NE 2.79Å
106G94.8Very high98Very high12 Ų1244 Ų4412%0.12422%0.221CC..  trans71.93-177.800000114.3G103 P104 V164 R168G103-G106 WeakPolarHBondContact O-CA 3.39Å; G103-G106 PolarHBondContact O-N 2.66Å; P104-G106 PolarHBondContact O-N 3.34Å; G106-V164 WeakPolarHBondContact O-CG1 3.43Å; G106-R168 PolarHBondContact O-NE 3.39Å; G106-R168 PolarHBondContact O-NH2 2.85Å
107R97.3Very high98Very high172 Ų17244.2 Ų44.265%0.64922%0.221SC*.  trans-78148.3-179.8-65.2-173.7-178.2164.5-2.2111V102 G103 D105 L109V102-R107 VanDerWaalsContact CA-O 3.22Å; V102-R107 WeakPolarHBondContact CA-O 3.45Å; V102-R107 WeakPolarHBondContact CB-O 3.22Å; G103-R107 PolarHBondContact N-O 3.45Å; D105-R107 PolarHBondContact O-N 3.25Å; D105-R107 WeakPolarHBondContact OD1-CB 3.41Å; D105-R107 PolarHBondContact OD1-N 3.21Å; D105-R107 WeakPolarHBondContact OD2-CD 3.05Å; D105-R107 WeakPolarHBondContact OD2-CG 3.08Å; D105-R107 IonicContact OD2-NE 2.79Å; R107-L109 PolarHBondContact O-N 3.42Å
108L98.4Very high98Very high50 Ų5046.3 Ų46.326%0.26223%0.232SC..EExtended strand (participates in β ladder)trans-58.5124.8175.7-17570.6000109.9C100 R110 L129 E160 V164C100-L108 HydrophobicContact CB-CD1 3.65Å; L108-R110 WeakPolarHBondContact CD1-O 3.47Å; L108-L129 HydrophobicContact CD2-CD1 4.24Å; L108-E160 HydrophobicContact CD2-CB 4.42Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L108-V164 HydrophobicContact CB-CG2 4.08Å; L108-V164 HydrophobicContact CD1-CG2 3.86Å
109L98.1Very high98Very high116 Ų11647.3 Ų47.361%0.60725%0.254SS*.EExtended strand (participates in β ladder)trans-94.4-44.5168.2-64.7177.8000110.5D101 R107D101-L109 PolarHBondContact O-N 2.89Å; R107-L109 PolarHBondContact O-N 3.42Å
110R97.8Very high98Very high102 Ų10255 Ų5539%0.38529%0.287SS..EExtended strand (participates in β ladder)trans-156.3140.8-176.3-173.8172.3174143.69.2111.3C100 D101 L108 H112 E127C100-R110 WeakPolarHBondContact CA-O 3.42Å; D101-R110 HydrophobicContact CB-CB 4.46Å; D101-R110 PolarHBondContact N-O 2.84Å; D101-R110 PolarHBondContact O-N 2.75Å; L108-R110 WeakPolarHBondContact CD1-O 3.47Å; R110-H112 WeakPolarHBondContact CD-CE1 3.19Å; R110-H112 PolarHBondContact NE-CE1 3.31Å; R110-E127 VanDerWaalsContact CZ-CD 3.42Å; R110-E127 VanDerWaalsContact CZ-CG 3.5Å; R110-E127 IonicContact CZ-OE1 2.72Å; R110-E127 IonicContact NE-OE1 3.55Å; R110-E127 VanDerWaalsContact NH1-CD 3.31Å; R110-E127 IonicContact NH1-OE1 3.44Å; R110-E127 PolarHBondContact NH1-OE1 3.2Å; R110-E127 IonicContact NH1-OE2 3.46Å; R110-E127 VanDerWaalsContact NH2-CG 3.3Å; R110-E127 IonicContact NH2-OE1 2.71Å; R110-E127 PolarHBondContact NH2-OE1 2.82Å
111G98.5Very high98Very high3 Ų361 Ų613%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-106.7152.7167.200000110.9G99G99-G111 CarbonylContact O-C 3.6Å
112H98.6Very high98Very high21 Ų2159.8 Ų59.810%0.09731%0.312CS..EExtended strand (participates in β ladder)trans-133.1139.5179.4-54.6-94.3000109.5R5 M97 Y98 G99 D101 R110R5-H112 PolarHBondContact NH2-CD2 3.39Å; R5-H112 PolarHBondContact NH2-NE2 3.32Å; R5-H112 VanDerWaalsContact NH2-NE2 3.1Å; M97-H112 HydrophobicContact CE-CB 3.97Å; M97-H112 HydrophobicContact SD-CB 4.12Å; Y98-H112 CarbonylContact C-O 3.57Å; Y98-H112 WeakPolarHBondContact CA-O 3.44Å; Y98-H112 VanDerWaalsContact CB-O 3.23Å; Y98-H112 WeakPolarHBondContact CB-O 3.43Å; G99-H112 PolarHBondContact N-O 3.04Å; G99-H112 PolarHBondContact O-N 2.95Å; D101-H112 IonicContact OD1-NE2 3.85Å; D101-H112 IonicContact OD2-CD2 3.74Å; D101-H112 IonicContact OD2-CE1 3.67Å; D101-H112 IonicContact OD2-NE2 3.67Å; D101-H112 PolarHBondContact OD2-NE2 2.81Å; R110-H112 WeakPolarHBondContact CD-CE1 3.19Å; R110-H112 PolarHBondContact NE-CE1 3.31Å
113D98.7Very high98Very high1 Ų160 Ų601%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-154.5109.4164.4-174.915.3000108.2M97 Y115 L125 R155M97-D113 WeakPolarHBondContact O-CA 3.36Å; D113-Y115 WeakPolarHBondContact OD1-CE2 3.42Å; D113-L125 HydrophobicContact CB-CB 4.01Å; D113-L125 HydrophobicContact CB-CD2 4.16Å; D113-L125 WeakPolarHBondContact O-CB 3.4Å; D113-L125 PolarHBondContact O-N 3.01Å; D113-R155 WeakPolarHBondContact OD2-CD 3.43Å; D113-R155 WeakPolarHBondContact OD2-CG 3.44Å; D113-R155 IonicContact OD2-CZ 3.37Å; D113-R155 IonicContact OD2-NE 2.98Å; D113-R155 PolarHBondContact OD2-NE 3.27Å
114Q98.7Very high98Very high77 Ų7761.2 Ų61.236%0.3632%0.323SS..EExtended strand (participates in β ladder)trans-144.8149.2-173.964-173.565.900112S96 M97 I123 A124S96-Q114 CarbonylContact C-O 3.55Å; S96-Q114 WeakPolarHBondContact CA-O 3.42Å; M97-Q114 HydrophobicContact CB-CG 4.17Å; M97-Q114 HydrophobicContact CE-CG 3.89Å; M97-Q114 PolarHBondContact N-O 2.82Å; M97-Q114 PolarHBondContact O-N 2.96Å; Q114-I123 WeakPolarHBondContact CA-O 3.32Å; Q114-A124 HydrophobicContact CB-CB 3.83Å
115Y98.9Very high98.2Very high24 Ų2455.6 Ų55.69%0.09429%0.286CS..EExtended strand (participates in β ladder)trans-128.4143.9-175.8-62.6-101.7000110.5L94 Q95 S96 D113 Y122 I123 W146 R155L94-Y115 HydrophobicContact CD1-CD1 4.38Å; Q95-Y115 CarbonylContact O-C 3.52Å; Q95-Y115 VanDerWaalsContact O-CA 3.25Å; Q95-Y115 WeakPolarHBondContact O-CA 3.42Å; S96-Y115 WeakPolarHBondContact OG-CD1 3.2Å; S96-Y115 WeakPolarHBondContact OG-CE1 3.07Å; D113-Y115 WeakPolarHBondContact OD1-CE2 3.42Å; Y115-Y122 WeakPolarHBondContact O-CB 3.37Å; Y115-Y122 PolarHBondContact O-N 3.27Å; Y115-I123 HydrophobicContact CD2-CG2 4.04Å; Y115-I123 HydrophobicContact CG-CG2 4.42Å; Y115-I123 PolarHBondContact N-O 3.41Å; Y115-I123 PolarHBondContact O-N 3.44Å; Y115-W146 AromaticContact CD2-CH2 3.73Å; Y115-W146 HydrophobicContact CD2-CH2 3.73Å; Y115-W146 HydrophobicContact CD2-CZ3 4.2Å; Y115-W146 AromaticContact CE2-CH2 3.43Å; Y115-W146 HydrophobicContact CE2-CH2 3.43Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.43Å; Y115-W146 HydrophobicContact CE2-CZ2 4.47Å; Y115-W146 AromaticContact CE2-CZ3 3.99Å; Y115-W146 HydrophobicContact CE2-CZ3 3.99Å; Y115-W146 HydrophobicContact CG-CH2 4.46Å; Y115-W146 AromaticContact CZ-CH2 3.89Å; Y115-R155 PolarHBondContact OH-NH2 2.67Å; Y115-R155 VanDerWaalsContact OH-NH2 3.14Å
116A98.9Very high98.3Very high16 Ų1653.1 Ų53.113%0.13227%0.272CS..EExtended strand (participates in β ladder)trans-127.6144173.700000110.7Q95 K120Q95-A116 HydrophobicContact CB-CB 4.36Å; Q95-A116 PolarHBondContact N-O 3.45Å; Q95-A116 PolarHBondContact O-N 2.05Å; A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.01Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.48Å
117Y98.9Very high98.5Very high10 Ų1058.8 Ų58.84%0.03930%0.296CS..EExtended strand (participates in β ladder)trans-122.7127.2176.8-174.1-121.7000110.3L77 L80 Y84 Q86 H92 T93 G119 K120L77-Y117 HydrophobicContact CD2-CE2 3.98Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.21Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.85Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.61Å; L80-Y117 HydrophobicContact CD1-CE2 3.91Å; L80-Y117 HydrophobicContact CD1-CG 4.1Å; L80-Y117 HydrophobicContact CD2-CG 4.34Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.44Å; Y84-Y117 AromaticContact CD2-CD1 3.67Å; Y84-Y117 HydrophobicContact CD2-CD1 3.67Å; Y84-Y117 AromaticContact CD2-CE1 3.48Å; Y84-Y117 HydrophobicContact CD2-CE1 3.48Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.48Å; Y84-Y117 AromaticContact CE2-CD1 3.46Å; Y84-Y117 HydrophobicContact CE2-CD1 3.46Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.46Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CG 4.46Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 3.06Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.33Å; H92-Y117 AromaticContact ND1-CZ 3.9Å; H92-Y117 PolarHBondContact ND1-OH 2.87Å; T93-Y117 CarbonylContact O-C 3.56Å; T93-Y117 WeakPolarHBondContact O-CA 3.33Å; T93-Y117 VanDerWaalsContact O-CD2 3.24Å; T93-Y117 WeakPolarHBondContact O-CD2 3.23Å; Y117-G119 PolarHBondContact O-N 3.19Å; Y117-K120 PolarHBondContact N-O 3.02Å; Y117-K120 PolarHBondContact O-N 3.39Å
118D98.5Very high98.5Very high65 Ų6554.4 Ų54.435%0.34829%0.285SS..THydrogen-bonded Turntrans49.239.6-174.7-66.5-22.2000113.2H92 T93 K120H92-D118 WeakPolarHBondContact CA-OD1 3.31Å; H92-D118 WeakPolarHBondContact CB-OD1 3.44Å; H92-D118 IonicContact CE1-OD2 3.83Å; H92-D118 IonicContact CG-OD1 2.95Å; H92-D118 IonicContact CG-OD2 3.6Å; H92-D118 IonicContact ND1-OD1 2.66Å; H92-D118 IonicContact ND1-OD2 2.79Å; H92-D118 PolarHBondContact ND1-OD2 3.14Å; T93-D118 PolarHBondContact N-OD1 2.89Å; T93-D118 PolarHBondContact O-N 3.05Å; D118-K120 VanDerWaalsContact C-N 3.34Å; D118-K120 PolarHBondContact O-N 2.97Å
119G98Very high98.5Very high58 Ų5852.4 Ų52.460%0.59828%0.275SS*.THydrogen-bonded Turntrans78.68.8177.400000115.4Y117Y117-G119 PolarHBondContact O-N 3.19Å
120K98.6Very high98.5Very high161 Ų16154.9 Ų54.970%0.728%0.276SS*.EExtended strand (participates in β ladder)trans-115.8144.6176.1-62.1-179.6-177.4177.80110.7A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.01Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.48Å; Y117-K120 PolarHBondContact N-O 3.02Å; Y117-K120 PolarHBondContact O-N 3.39Å; D118-K120 VanDerWaalsContact C-N 3.34Å; D118-K120 PolarHBondContact O-N 2.97Å; K120-Y122 PolarHBondContact O-N 2.9Å
121D98.8Very high98.5Very high126 Ų12651.9 Ų51.967%0.67427%0.271SS*.EExtended strand (participates in β ladder)trans-52.6134.9173.8-66.7-24.9000110.6A135D121-A135 WeakPolarHBondContact O-CB 3.16Å
122Y98.8Very high98.5Very high8 Ų852.3 Ų52.33%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-113.3-63.5179.9179.4-107.7000110.4L80 Y84 Y115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD1 4.39Å; L80-Y122 HydrophobicContact CD2-CD2 3.96Å; L80-Y122 HydrophobicContact CD2-CE1 3.88Å; L80-Y122 HydrophobicContact CD2-CE2 3.37Å; L80-Y122 HydrophobicContact CD2-CG 4.44Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.48Å; Y115-Y122 WeakPolarHBondContact O-CB 3.37Å; Y115-Y122 PolarHBondContact O-N 3.27Å; K120-Y122 PolarHBondContact O-N 2.9Å; Y122-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 PolarHBondContact O-N 2.82Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 2.91Å; Y122-A139 HydrophobicContact CD2-CB 3.86Å; Y122-A139 HydrophobicContact CE1-CB 4.39Å; Y122-A139 HydrophobicContact CE2-CB 3.72Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.34Å; Y122-T142 HydrophobicContact CE1-CG2 4.22Å; Y122-T142 PolarHBondContact OH-OG1 2.7Å
123I98.8Very high98.5Very high4 Ų455 Ų552%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-149.2142.1178.6-161.1172.3000110.3Q114 Y115 W132 T133 T142 Q143 W146Q114-I123 WeakPolarHBondContact CA-O 3.32Å; Y115-I123 HydrophobicContact CD2-CG2 4.04Å; Y115-I123 HydrophobicContact CG-CG2 4.42Å; Y115-I123 PolarHBondContact N-O 3.41Å; Y115-I123 PolarHBondContact O-N 3.44Å; I123-W132 HydrophobicContact CD1-CB 4.18Å; I123-W132 HydrophobicContact CD1-CD2 4.42Å; I123-W132 HydrophobicContact CD1-CE3 4.27Å; I123-W132 HydrophobicContact CD1-CG 4.4Å; I123-W132 HydrophobicContact CG1-CB 4.25Å; I123-W132 HydrophobicContact CG1-CE3 4.08Å; I123-T133 WeakPolarHBondContact CA-O 3.21Å; I123-T142 HydrophobicContact CD1-CG2 4.11Å; I123-Q143 HydrophobicContact CD1-CB 3.88Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.24Å; I123-W146 HydrophobicContact CG2-CE3 4.44Å; I123-W146 HydrophobicContact CG2-CH2 3.92Å; I123-W146 HydrophobicContact CG2-CZ3 3.61Å
124A98.8Very high98.5Very high31 Ų3156 Ų5626%0.25630%0.298SS..EExtended strand (participates in β ladder)trans-135.4139.6178.600000111.5Q114 W132 T133Q114-A124 HydrophobicContact CB-CB 3.83Å; A124-W132 CarbonylContact O-C 3.56Å; A124-W132 WeakPolarHBondContact O-CA 3.11Å; A124-T133 PolarHBondContact N-O 3.01Å; A124-T133 PolarHBondContact O-N 2.87Å
125L98.8Very high98.5Very high14 Ų1455.3 Ų55.37%0.07331%0.305CS..EExtended strand (participates in β ladder)trans-71.4126.6168.3-174.465000108.2D113 L129 W132 A152 R155 L159D113-L125 HydrophobicContact CB-CB 4.01Å; D113-L125 HydrophobicContact CB-CD2 4.16Å; D113-L125 WeakPolarHBondContact O-CB 3.4Å; D113-L125 PolarHBondContact O-N 3.01Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.26Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4.02Å; L125-W132 HydrophobicContact CB-CZ3 3.59Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.29Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.91Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.49Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; L125-A152 HydrophobicContact CD1-CB 3.93Å; L125-R155 HydrophobicContact CD2-CB 3.98Å; L125-L159 HydrophobicContact CD2-CD1 3.99Å
126N98.7Very high98.5Very high44 Ų4456.7 Ų56.724%0.23531%0.314CS..  trans-69.9162.4179.5-67.6-31000111D128 L129 S131 T133N126-D128 PolarHBondContact O-N 3.37Å; N126-L129 PolarHBondContact O-N 3.44Å; N126-S131 WeakPolarHBondContact CB-O 3.38Å; N126-S131 PolarHBondContact N-O 2.91Å; N126-S131 PolarHBondContact ND2-O 2.89Å; N126-S131 PolarHBondContact ND2-OG 2.93Å; N126-T133 PolarHBondContact ND2-OG1 2.9Å; N126-T133 WeakPolarHBondContact OD1-CB 3.3Å; N126-T133 PolarHBondContact OD1-OG1 2.88Å
127E97.9Very high98.5Very high132 Ų13261.1 Ų61.162%0.61734%0.34SS*.THydrogen-bonded Turntrans-58.2-21.3179.9-66.9179.8-164.200113.7R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.42Å; R110-E127 VanDerWaalsContact CZ-CG 3.5Å; R110-E127 IonicContact CZ-OE1 2.72Å; R110-E127 IonicContact NE-OE1 3.55Å; R110-E127 VanDerWaalsContact NH1-CD 3.31Å; R110-E127 IonicContact NH1-OE1 3.44Å; R110-E127 PolarHBondContact NH1-OE1 3.2Å; R110-E127 IonicContact NH1-OE2 3.46Å; R110-E127 VanDerWaalsContact NH2-CG 3.3Å; R110-E127 IonicContact NH2-OE1 2.71Å; R110-E127 PolarHBondContact NH2-OE1 2.82Å; E127-L129 PolarHBondContact O-N 3.24Å
128D97.9Very high98.5Very high79 Ų7960.8 Ų60.842%0.42234%0.339SS..THydrogen-bonded Turntrans-71-9.5174.670.63.9000114N126 R130 S131N126-D128 PolarHBondContact O-N 3.37Å; D128-R130 WeakPolarHBondContact O-CG 3.48Å; D128-R130 PolarHBondContact O-N 2.72Å; D128-R130 PolarHBondContact OD1-N 2.71Å; D128-S131 VanDerWaalsContact CG-OG 3.26Å; D128-S131 PolarHBondContact OD1-N 3.27Å; D128-S131 PolarHBondContact OD1-OG 3.41Å; D128-S131 WeakPolarHBondContact OD2-CB 3.33Å; D128-S131 PolarHBondContact OD2-OG 2.99Å
129L98.3Very high98.5Very high8 Ų857.7 Ų57.74%0.04232%0.323CS..SBendtrans53.628.9-175-52.6-177.9000113.6L108 L125 N126 E127 R156 L159 E160L108-L129 HydrophobicContact CD2-CD1 4.24Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.26Å; N126-L129 PolarHBondContact O-N 3.44Å; E127-L129 PolarHBondContact O-N 3.24Å; L129-R156 HydrophobicContact CB-CB 4.02Å; L129-R156 HydrophobicContact CB-CG 3.82Å; L129-R156 HydrophobicContact CD1-CG 4.2Å; L129-L159 HydrophobicContact CD1-CB 4.43Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; L129-E160 HydrophobicContact CD1-CG 4.27Å
130R97.9Very high98.5Very high168 Ų16858.5 Ų58.563%0.63431%0.311SS*.SBendtrans-135.7-29.8-174-70.8171.1-173.4-126.89.4113D128D128-R130 WeakPolarHBondContact O-CG 3.48Å; D128-R130 PolarHBondContact O-N 2.72Å; D128-R130 PolarHBondContact OD1-N 2.71Å
131S98.2Very high98.5Very high40 Ų4053.6 Ų53.628%0.2829%0.292SS..  trans-120.2161.1-177.164.10000111.8N126 D128N126-S131 WeakPolarHBondContact CB-O 3.38Å; N126-S131 PolarHBondContact N-O 2.91Å; N126-S131 PolarHBondContact ND2-O 2.89Å; N126-S131 PolarHBondContact ND2-OG 2.93Å; D128-S131 VanDerWaalsContact CG-OG 3.26Å; D128-S131 PolarHBondContact OD1-N 3.27Å; D128-S131 PolarHBondContact OD1-OG 3.41Å; D128-S131 WeakPolarHBondContact OD2-CB 3.33Å; D128-S131 PolarHBondContact OD2-OG 2.99Å
132W98.8Very high98.5Very high12 Ų1248.4 Ų48.45%0.04527%0.265CS..EExtended strand (participates in β ladder)trans-116.7145.4-178-60.292.9000111I123 A124 L125 Q143 W146 E151 A152 R155I123-W132 HydrophobicContact CD1-CB 4.18Å; I123-W132 HydrophobicContact CD1-CD2 4.42Å; I123-W132 HydrophobicContact CD1-CE3 4.27Å; I123-W132 HydrophobicContact CD1-CG 4.4Å; I123-W132 HydrophobicContact CG1-CB 4.25Å; I123-W132 HydrophobicContact CG1-CE3 4.08Å; A124-W132 CarbonylContact O-C 3.56Å; A124-W132 WeakPolarHBondContact O-CA 3.11Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4.02Å; L125-W132 HydrophobicContact CB-CZ3 3.59Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.29Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.91Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.49Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; W132-Q143 HydrophobicContact CB-CG 4.14Å; W132-Q143 PolarHBondContact O-NE2 2.98Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.36Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.8Å; W132-W146 HydrophobicContact CE3-CZ3 3.8Å; W132-W146 AromaticContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CE3 3.44Å; W132-W146 VanDerWaalsContact CH2-CE3 3.44Å; W132-W146 AromaticContact CH2-CZ3 3.42Å; W132-W146 HydrophobicContact CH2-CZ3 3.42Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.42Å; W132-W146 HydrophobicContact CZ2-CD2 4.38Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CZ3 4.01Å; W132-W146 AromaticContact CZ3-CE3 3.59Å; W132-W146 HydrophobicContact CZ3-CE3 3.59Å; W132-W146 HydrophobicContact CZ3-CH2 4.5Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; W132-E151 HydrophobicContact CZ2-CB 4.29Å; W132-A152 HydrophobicContact CZ2-CB 4.29Å; W132-R155 HydrophobicContact CH2-CG 4.45Å
133T98.8Very high98.5Very high78 Ų7849.9 Ų49.948%0.47927%0.272SS..EExtended strand (participates in β ladder)trans-106116.7164.8-66.80000108.9I123 A124 N126I123-T133 WeakPolarHBondContact CA-O 3.21Å; A124-T133 PolarHBondContact N-O 3.01Å; A124-T133 PolarHBondContact O-N 2.87Å; N126-T133 PolarHBondContact ND2-OG1 2.9Å; N126-T133 WeakPolarHBondContact OD1-CB 3.3Å; N126-T133 PolarHBondContact OD1-OG1 2.88Å
134A98.7Very high98.5Very high22 Ų2257 Ų5718%0.18230%0.298CS..EExtended strand (participates in β ladder)trans-95.5131.3175.200000110.5A139 Q140 Q143A134-A139 HydrophobicContact CB-CB 3.71Å; A134-Q140 HydrophobicContact CB-CG 3.93Å; A134-Q143 HydrophobicContact CB-CB 4.44Å
135A98.5Very high98.4Very high61 Ų6160.7 Ų60.750%0.50431%0.309SS..SBendtrans-73.1-31.2-176.300000113.4D121 Y122D121-A135 WeakPolarHBondContact O-CB 3.16Å; Y122-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 PolarHBondContact O-N 2.82Å
136D98.3Very high98.4Very high53 Ų5362.7 Ų62.728%0.28332%0.315SS..SBendtrans-152.2-175-17866.727.8000113Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.39Å; Y84-D136 VanDerWaalsContact OH-CG 3.28Å; Y84-D136 PolarHBondContact OH-OD1 2.91Å; Y84-D136 PolarHBondContact OH-OD2 3.46Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.79Å; D136-A138 WeakPolarHBondContact OD1-CA 3.3Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 3.09Å; D136-A139 PolarHBondContact O-N 2.9Å; D136-A139 PolarHBondContact OD1-N 3.3Å; D136-Q140 WeakPolarHBondContact O-CG 3.24Å; D136-Q140 PolarHBondContact O-N 3.33Å
137T98.4Very high98.4Very high109 Ų10965.3 Ų65.367%0.66933%0.326SS*.Hα-helixtrans-65.5-26.7-179.851.20000114
138A98.3Very high98.4Very high4 Ų463.1 Ų63.13%0.03333%0.331CS..Hα-helixtrans-73.1-45.417500000109.9Y83 Y84 Y122 D136 Q140 I141Y83-A138 HydrophobicContact CD2-CB 4.5Å; Y84-A138 HydrophobicContact CD1-CB 4.26Å; Y84-A138 HydrophobicContact CD2-CB 4.41Å; Y84-A138 HydrophobicContact CE1-CB 3.72Å; Y84-A138 HydrophobicContact CE2-CB 3.87Å; Y122-A138 HydrophobicContact CE2-CB 4.37Å; Y122-A138 PolarHBondContact OH-O 2.91Å; D136-A138 VanDerWaalsContact C-N 3.28Å; D136-A138 PolarHBondContact O-N 2.79Å; D136-A138 WeakPolarHBondContact OD1-CA 3.3Å; D136-A138 WeakPolarHBondContact OD1-CB 3.47Å; D136-A138 PolarHBondContact OD1-N 3.09Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.02Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.21Å; A138-I141 PolarHBondContact O-N 3.17Å
139A98.6Very high98.5Very high0 Ų061.8 Ų61.80%033%0.331CS..Hα-helixtrans-59.8-34.4174.100000113.1Y122 A134 D136 I141 T142 Q143Y122-A139 HydrophobicContact CD2-CB 3.86Å; Y122-A139 HydrophobicContact CE1-CB 4.39Å; Y122-A139 HydrophobicContact CE2-CB 3.72Å; Y122-A139 HydrophobicContact CG-CB 4.26Å; Y122-A139 WeakPolarHBondContact O-CB 3.34Å; A134-A139 HydrophobicContact CB-CB 3.71Å; D136-A139 PolarHBondContact O-N 2.9Å; D136-A139 PolarHBondContact OD1-N 3.3Å; A139-I141 PolarHBondContact O-N 3.1Å; A139-T142 WeakPolarHBondContact O-CB 3.36Å; A139-T142 PolarHBondContact O-N 2.74Å; A139-Q143 PolarHBondContact O-N 3.1Å
140Q98.7Very high98.4Very high75 Ų7568.9 Ų68.935%0.3536%0.357SS..Hα-helixtrans-60.7-27.2173.3-73.9173.810.300113.2A134 D136 A138 R144A134-Q140 HydrophobicContact CB-CG 3.93Å; D136-Q140 WeakPolarHBondContact O-CG 3.24Å; D136-Q140 PolarHBondContact O-N 3.33Å; A138-Q140 VanDerWaalsContact C-N 3.26Å; A138-Q140 PolarHBondContact O-N 3.02Å; Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 3.06Å; Q140-R144 VanDerWaalsContact O-N 3.13Å
141I98.6Very high98.4Very high58 Ų5863.3 Ų63.330%0.29734%0.338SS..Hα-helixtrans-67.3-45.2173.8-57.8170000109.6Y83 A138 A139 K145Y83-I141 HydrophobicContact CD1-CD1 3.98Å; Y83-I141 HydrophobicContact CE1-CD1 4.29Å; Y83-I141 HydrophobicContact CE1-CG2 3.94Å; Y83-I141 HydrophobicContact CE2-CB 4.3Å; Y83-I141 HydrophobicContact CE2-CG2 4.21Å; Y83-I141 HydrophobicContact CG-CD1 4.15Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.21Å; A138-I141 PolarHBondContact O-N 3.17Å; A139-I141 PolarHBondContact O-N 3.1Å; I141-K145 WeakPolarHBondContact O-CG 3.17Å; I141-K145 PolarHBondContact O-N 3.49Å
142T98.6Very high98.5Very high17 Ų1761.9 Ų61.910%0.10433%0.328CS..Hα-helixtrans-63-45.5174.3-68.10000111.3Y122 I123 A139 R144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.22Å; Y122-T142 PolarHBondContact OH-OG1 2.7Å; I123-T142 HydrophobicContact CD1-CG2 4.11Å; A139-T142 WeakPolarHBondContact O-CB 3.36Å; A139-T142 PolarHBondContact O-N 2.74Å; T142-R144 VanDerWaalsContact C-N 3.35Å; T142-R144 PolarHBondContact O-N 2.96Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.45Å; T142-W146 HydrophobicContact CG2-CD2 3.65Å; T142-W146 VanDerWaalsContact CG2-CE2 3.47Å; T142-W146 HydrophobicContact CG2-CE3 4.09Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CH2 4.19Å; T142-W146 HydrophobicContact CG2-CZ2 3.78Å; T142-W146 HydrophobicContact CG2-CZ3 4.33Å; T142-W146 PolarHBondContact O-N 2.95Å
143Q98.6Very high98.4Very high39 Ų3966.6 Ų66.618%0.18235%0.351CS..Hα-helixtrans-52.1-51.3177.8177.5173.510.600111.7I123 W132 A134 A139 K145 W146 E147I123-Q143 HydrophobicContact CD1-CB 3.88Å; W132-Q143 HydrophobicContact CB-CG 4.14Å; W132-Q143 PolarHBondContact O-NE2 2.98Å; A134-Q143 HydrophobicContact CB-CB 4.44Å; A139-Q143 PolarHBondContact O-N 3.1Å; Q143-K145 VanDerWaalsContact C-N 3.3Å; Q143-K145 PolarHBondContact O-N 3.49Å; Q143-W146 PolarHBondContact O-N 3Å; Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.49Å; Q143-E147 PolarHBondContact NE2-OE1 3.03Å; Q143-E147 WeakPolarHBondContact O-CB 3.32Å; Q143-E147 WeakPolarHBondContact O-CG 3.33Å; Q143-E147 PolarHBondContact O-N 3.21Å
144R98.7Very high98.4Very high153 Ų15368.5 Ų68.558%0.57735%0.354SS*.Hα-helixtrans-60.1-38.7179.1-69.1171.1-166143.58.1112.6Q140 T142 A148Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 3.06Å; Q140-R144 VanDerWaalsContact O-N 3.13Å; T142-R144 VanDerWaalsContact C-N 3.35Å; T142-R144 PolarHBondContact O-N 2.96Å; R144-A148 WeakPolarHBondContact O-CB 3.42Å; R144-A148 PolarHBondContact O-N 3.38Å
145K98.3Very high98.4Very high109 Ų10971 Ų7147%0.47436%0.359SS..Hα-helixtrans-65-45.6176.6-71.2178.4175.5-1740111Y83 I141 T142 Q143 A148 A149Y83-K145 PolarHBondContact OH-NZ 2.82Å; I141-K145 WeakPolarHBondContact O-CG 3.17Å; I141-K145 PolarHBondContact O-N 3.49Å; T142-K145 WeakPolarHBondContact O-CB 3.4Å; T142-K145 PolarHBondContact O-N 3.45Å; Q143-K145 VanDerWaalsContact C-N 3.3Å; Q143-K145 PolarHBondContact O-N 3.49Å; K145-A148 PolarHBondContact O-N 3.46Å; K145-A149 WeakPolarHBondContact O-CB 3.29Å; K145-A149 PolarHBondContact O-N 3.3Å
146W98.5Very high98.4Very high55 Ų5571.5 Ų71.521%0.20835%0.348CS..Hα-helixtrans-70.6-35.5-178.6-73.83.2000113Y115 I123 W132 T142 Q143 A149 R150 E151Y115-W146 AromaticContact CD2-CH2 3.73Å; Y115-W146 HydrophobicContact CD2-CH2 3.73Å; Y115-W146 HydrophobicContact CD2-CZ3 4.2Å; Y115-W146 AromaticContact CE2-CH2 3.43Å; Y115-W146 HydrophobicContact CE2-CH2 3.43Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.43Å; Y115-W146 HydrophobicContact CE2-CZ2 4.47Å; Y115-W146 AromaticContact CE2-CZ3 3.99Å; Y115-W146 HydrophobicContact CE2-CZ3 3.99Å; Y115-W146 HydrophobicContact CG-CH2 4.46Å; Y115-W146 AromaticContact CZ-CH2 3.89Å; I123-W146 HydrophobicContact CD1-CE3 4.06Å; I123-W146 HydrophobicContact CD1-CZ3 4.24Å; I123-W146 HydrophobicContact CG2-CE3 4.44Å; I123-W146 HydrophobicContact CG2-CH2 3.92Å; I123-W146 HydrophobicContact CG2-CZ3 3.61Å; W132-W146 AromaticContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CE3 3.87Å; W132-W146 HydrophobicContact CD2-CZ3 4.36Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.78Å; W132-W146 HydrophobicContact CE3-CE3 3.78Å; W132-W146 AromaticContact CE3-CZ3 3.8Å; W132-W146 HydrophobicContact CE3-CZ3 3.8Å; W132-W146 AromaticContact CH2-CE3 3.44Å; W132-W146 HydrophobicContact CH2-CE3 3.44Å; W132-W146 VanDerWaalsContact CH2-CE3 3.44Å; W132-W146 AromaticContact CH2-CZ3 3.42Å; W132-W146 HydrophobicContact CH2-CZ3 3.42Å; W132-W146 VanDerWaalsContact CH2-CZ3 3.42Å; W132-W146 HydrophobicContact CZ2-CD2 4.38Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CZ3 4.01Å; W132-W146 AromaticContact CZ3-CE3 3.59Å; W132-W146 HydrophobicContact CZ3-CE3 3.59Å; W132-W146 HydrophobicContact CZ3-CH2 4.5Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; T142-W146 HydrophobicContact CG2-CD2 3.65Å; T142-W146 VanDerWaalsContact CG2-CE2 3.47Å; T142-W146 HydrophobicContact CG2-CE3 4.09Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CH2 4.19Å; T142-W146 HydrophobicContact CG2-CZ2 3.78Å; T142-W146 HydrophobicContact CG2-CZ3 4.33Å; T142-W146 PolarHBondContact O-N 2.95Å; Q143-W146 PolarHBondContact O-N 3Å; W146-A149 CarbonylContact O-C 3.6Å; W146-A149 PolarHBondContact O-N 3.38Å; W146-R150 WeakPolarHBondContact O-CA 3.24Å; W146-R150 PolarHBondContact O-N 2.87Å; W146-E151 HydrophobicContact CB-CB 3.96Å; W146-E151 HydrophobicContact CB-CG 3.88Å; W146-E151 HydrophobicContact CD2-CG 4.49Å; W146-E151 HydrophobicContact CG-CB 4.13Å; W146-E151 HydrophobicContact CG-CG 3.81Å; W146-E151 PolarHBondContact O-N 2.83Å
147E98.6Very high98.4Very high99 Ų9972.1 Ų72.146%0.46336%0.361SS..Hα-helixtrans-64.2-45.6171.2-73.7170.7174.500111.2Q143 A149 R150Q143-E147 HydrophobicContact CG-CG 4.28Å; Q143-E147 VanDerWaalsContact CG-OE1 3.26Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.49Å; Q143-E147 PolarHBondContact NE2-OE1 3.03Å; Q143-E147 WeakPolarHBondContact O-CB 3.32Å; Q143-E147 WeakPolarHBondContact O-CG 3.33Å; Q143-E147 PolarHBondContact O-N 3.21Å; E147-A149 VanDerWaalsContact C-N 3.3Å; E147-A149 PolarHBondContact O-N 3.42Å; E147-R150 PolarHBondContact O-N 2.88Å; E147-R150 VanDerWaalsContact O-N 3.16Å
148A98.4Very high98.4Very high87 Ų8769.4 Ų69.472%0.71934%0.338SS*.Hα-helixtrans-63-35.7176.800000112.8R144 K145R144-A148 WeakPolarHBondContact O-CB 3.42Å; R144-A148 PolarHBondContact O-N 3.38Å; K145-A148 PolarHBondContact O-N 3.46Å
149A98.2Very high98.4Very high51 Ų5169.3 Ų69.342%0.42134%0.337SS..THydrogen-bonded Turntrans-86.6-2.5177.200000114K145 W146 E147 E151K145-A149 WeakPolarHBondContact O-CB 3.29Å; K145-A149 PolarHBondContact O-N 3.3Å; W146-A149 CarbonylContact O-C 3.6Å; W146-A149 PolarHBondContact O-N 3.38Å; E147-A149 VanDerWaalsContact C-N 3.3Å; E147-A149 PolarHBondContact O-N 3.42Å; A149-E151 VanDerWaalsContact C-N 3.26Å; A149-E151 HydrophobicContact CB-CG 4.08Å; A149-E151 PolarHBondContact O-N 3.01Å
150R98Very high98.4Very high157 Ų15773.7 Ų73.759%0.59236%0.358SS*.THydrogen-bonded Turntrans5438.3-176.7-57.4178.6171.2-139.37113.9W146 E147 A152 E153W146-R150 WeakPolarHBondContact O-CA 3.24Å; W146-R150 PolarHBondContact O-N 2.87Å; E147-R150 PolarHBondContact O-N 2.88Å; E147-R150 VanDerWaalsContact O-N 3.16Å; R150-A152 PolarHBondContact O-N 3.15Å; R150-E153 HydrophobicContact CB-CG 4.26Å; R150-E153 WeakPolarHBondContact CD-OE1 3.49Å; R150-E153 IonicContact CZ-OE1 3.81Å; R150-E153 IonicContact NE-OE1 3.97Å; R150-E153 IonicContact NH1-OE1 2.99Å; R150-E153 PolarHBondContact NH1-OE1 3.16Å; R150-E153 IonicContact NH1-OE2 3.71Å; R150-E153 WeakPolarHBondContact O-CB 3.15Å; R150-E153 PolarHBondContact O-N 3.1Å
151E97.9Very high98.4Very high51 Ų5171 Ų7124%0.23835%0.35CS..Hα-helixtrans-58.6-33.6-178-67.6-65.8167.600112.8W132 W146 A149 E153 Q154 R155W132-E151 HydrophobicContact CZ2-CB 4.29Å; W146-E151 HydrophobicContact CB-CB 3.96Å; W146-E151 HydrophobicContact CB-CG 3.88Å; W146-E151 HydrophobicContact CD2-CG 4.49Å; W146-E151 HydrophobicContact CG-CB 4.13Å; W146-E151 HydrophobicContact CG-CG 3.81Å; W146-E151 PolarHBondContact O-N 2.83Å; A149-E151 VanDerWaalsContact C-N 3.26Å; A149-E151 HydrophobicContact CB-CG 4.08Å; A149-E151 PolarHBondContact O-N 3.01Å; E151-E153 VanDerWaalsContact C-N 3.26Å; E151-E153 PolarHBondContact O-N 2.9Å; E151-Q154 PolarHBondContact O-N 3.03Å; E151-Q154 VanDerWaalsContact O-N 3.15Å; E151-R155 WeakPolarHBondContact O-CG 3.44Å; E151-R155 PolarHBondContact O-N 2.97Å
152A98.4Very high98.4Very high9 Ų972 Ų727%0.07435%0.354CS..Hα-helixtrans-59.8-34.8177.300000112.6L125 W132 R150 R155 R156L125-A152 HydrophobicContact CD1-CB 3.93Å; W132-A152 HydrophobicContact CZ2-CB 4.29Å; R150-A152 PolarHBondContact O-N 3.15Å; A152-R155 PolarHBondContact O-N 2.89Å; A152-R156 WeakPolarHBondContact O-CB 3.16Å; A152-R156 PolarHBondContact O-N 2.87Å
153E98.2Very high98.4Very high111 Ų11171.2 Ų71.252%0.51935%0.349SS..Hα-helixtrans-65.5-40.5177.7-64178.6-169.800111.2R150 E151 A157R150-E153 HydrophobicContact CB-CG 4.26Å; R150-E153 WeakPolarHBondContact CD-OE1 3.49Å; R150-E153 IonicContact CZ-OE1 3.81Å; R150-E153 IonicContact NE-OE1 3.97Å; R150-E153 IonicContact NH1-OE1 2.99Å; R150-E153 PolarHBondContact NH1-OE1 3.16Å; R150-E153 IonicContact NH1-OE2 3.71Å; R150-E153 WeakPolarHBondContact O-CB 3.15Å; R150-E153 PolarHBondContact O-N 3.1Å; E151-E153 VanDerWaalsContact C-N 3.26Å; E151-E153 PolarHBondContact O-N 2.9Å; E153-A157 WeakPolarHBondContact O-CB 3.42Å; E153-A157 PolarHBondContact O-N 3.13Å
154Q97.6Very high98.4Very high118 Ų11869.7 Ų69.755%0.55134%0.342SS*.Hα-helixtrans-68.2-45.3177.2-62.8-177.956.500111.5E151 R156 A157 Y158E151-Q154 PolarHBondContact O-N 3.03Å; E151-Q154 VanDerWaalsContact O-N 3.15Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; Q154-R156 PolarHBondContact O-N 3.34Å; Q154-A157 PolarHBondContact O-N 2.74Å; Q154-Y158 PolarHBondContact O-N 2.79Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å
155R98.1Very high98.4Very high76 Ų7668.5 Ų68.529%0.28734%0.343SS..Hα-helixtrans-61.1-44.6176.5-68.3-57.8-167.3-135.9-2.6111.6D113 Y115 L125 W132 E151 A152 A157 Y158 L159D113-R155 WeakPolarHBondContact OD2-CD 3.43Å; D113-R155 WeakPolarHBondContact OD2-CG 3.44Å; D113-R155 IonicContact OD2-CZ 3.37Å; D113-R155 IonicContact OD2-NE 2.98Å; D113-R155 PolarHBondContact OD2-NE 3.27Å; Y115-R155 PolarHBondContact OH-NH2 2.67Å; Y115-R155 VanDerWaalsContact OH-NH2 3.14Å; L125-R155 HydrophobicContact CD2-CB 3.98Å; W132-R155 HydrophobicContact CH2-CG 4.45Å; E151-R155 WeakPolarHBondContact O-CG 3.44Å; E151-R155 PolarHBondContact O-N 2.97Å; A152-R155 PolarHBondContact O-N 2.89Å; R155-A157 PolarHBondContact O-N 2.68Å; R155-Y158 PolarHBondContact O-N 3.37Å; R155-L159 WeakPolarHBondContact O-CB 3.36Å; R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.24Å
156R98.5Very high98.4Very high70 Ų7066.3 Ų66.326%0.26433%0.332SS..Hα-helixtrans-59.7-45.2175.6-175.4172.8179.7-134.5-15.4112.3L129 A152 Q154 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.02Å; L129-R156 HydrophobicContact CB-CG 3.82Å; L129-R156 HydrophobicContact CD1-CG 4.2Å; A152-R156 WeakPolarHBondContact O-CB 3.16Å; A152-R156 PolarHBondContact O-N 2.87Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; Q154-R156 PolarHBondContact O-N 3.34Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.98Å; R156-L159 PolarHBondContact O-N 3.14Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 2.68Å; R156-E160 VanDerWaalsContact CZ-OE1 3.27Å; R156-E160 IonicContact CZ-OE2 3.52Å; R156-E160 IonicContact NE-OE1 2.69Å; R156-E160 PolarHBondContact NE-OE1 2.8Å; R156-E160 IonicContact NE-OE2 3.23Å; R156-E160 PolarHBondContact NE-OE2 3.03Å; R156-E160 IonicContact NH2-OE1 3.75Å; R156-E160 PolarHBondContact NH2-OE1 3.01Å; R156-E160 IonicContact NH2-OE2 3.62Å; R156-E160 PolarHBondContact NH2-OE2 3.25Å; R156-E160 WeakPolarHBondContact O-CB 3.48Å; R156-E160 PolarHBondContact O-N 3.47Å
157A98.6Very high98.4Very high66 Ų6663.7 Ų63.755%0.54532%0.322SS..Hα-helixtrans-59.8-41.7178.200000112.2E153 Q154 R155 G161E153-A157 WeakPolarHBondContact O-CB 3.42Å; E153-A157 PolarHBondContact O-N 3.13Å; Q154-A157 PolarHBondContact O-N 2.74Å; R155-A157 PolarHBondContact O-N 2.68Å; A157-G161 PolarHBondContact O-N 3.18Å
158Y98.6Very high98.4Very high52 Ų5264.5 Ų64.520%0.20432%0.321CS..Hα-helixtrans-65.3-47.7174.1171-97.4000112.3Y98 Q154 R155 R156 G161 E162 C163Y98-Y158 AromaticContact CD2-CE1 3.81Å; Y98-Y158 HydrophobicContact CD2-CE1 3.81Å; Y98-Y158 AromaticContact CE2-CE1 3.67Å; Y98-Y158 HydrophobicContact CE2-CE1 3.67Å; Y98-Y158 AromaticContact CE2-CZ 3.93Å; Q154-Y158 PolarHBondContact O-N 2.79Å; Q154-Y158 VanDerWaalsContact O-N 3.11Å; R155-Y158 PolarHBondContact O-N 3.37Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.98Å; Y158-G161 CarbonylContact O-C 3.43Å; Y158-G161 PolarHBondContact O-N 3.1Å; Y158-E162 HydrophobicContact CD2-CB 3.8Å; Y158-E162 HydrophobicContact CE2-CB 3.99Å; Y158-E162 PolarHBondContact O-N 3.16Å; Y158-C163 HydrophobicContact CD1-CB 4.25Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.46Å; Y158-C163 PolarHBondContact O-N 3.21Å
159L98.8Very high98.4Very high2 Ų265.9 Ų65.91%0.0131%0.308CS..Hα-helixtrans-68.7-36.9-175.2-69.8170.5000112.9G99 L125 L129 R155 R156 V164G99-L159 VanDerWaalsContact O-CD2 3.22Å; G99-L159 WeakPolarHBondContact O-CD2 3.24Å; L125-L159 HydrophobicContact CD2-CD1 3.99Å; L129-L159 HydrophobicContact CD1-CB 4.43Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; R155-L159 WeakPolarHBondContact O-CB 3.36Å; R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.24Å; R156-L159 PolarHBondContact O-N 3.14Å; L159-V164 WeakPolarHBondContact O-CG2 3.48Å
160E98.4Very high98.4Very high92 Ų9263.5 Ų63.543%0.4329%0.288SS..Hα-helixtrans-81.1-23.6176.2-68.2-178.2170.500112.9L108 L129 R156L108-E160 HydrophobicContact CD2-CB 4.42Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L129-E160 HydrophobicContact CD1-CG 4.27Å; R156-E160 HydrophobicContact CG-CG 4.12Å; R156-E160 IonicContact CZ-OE1 2.68Å; R156-E160 VanDerWaalsContact CZ-OE1 3.27Å; R156-E160 IonicContact CZ-OE2 3.52Å; R156-E160 IonicContact NE-OE1 2.69Å; R156-E160 PolarHBondContact NE-OE1 2.8Å; R156-E160 IonicContact NE-OE2 3.23Å; R156-E160 PolarHBondContact NE-OE2 3.03Å; R156-E160 IonicContact NH2-OE1 3.75Å; R156-E160 PolarHBondContact NH2-OE1 3.01Å; R156-E160 IonicContact NH2-OE2 3.62Å; R156-E160 PolarHBondContact NH2-OE2 3.25Å; R156-E160 WeakPolarHBondContact O-CB 3.48Å; R156-E160 PolarHBondContact O-N 3.47Å
161G98.4Very high98.4Very high19 Ų1956.7 Ų56.720%0.19626%0.263CS..THydrogen-bonded Turntrans-108.8-98.2-177.100000112.9A157 Y158 C163 V164 E165A157-G161 PolarHBondContact O-N 3.18Å; Y158-G161 CarbonylContact O-C 3.43Å; Y158-G161 PolarHBondContact O-N 3.1Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.47Å; G161-C163 VanDerWaalsContact O-N 3.14Å; G161-V164 PolarHBondContact O-N 2.77Å; G161-E165 WeakPolarHBondContact O-CG 3.5Å; G161-E165 PolarHBondContact O-N 2.93Å
162E98.3Very high98.4Very high79 Ų7959.6 Ų59.637%0.36928%0.277SS..Hα-helixtrans-51.1-42.2-170.6-73.9-173.3-12600113R61 Y158 V164 E165 W166R61-E162 IonicContact CZ-OE2 3.5Å; R61-E162 IonicContact NH2-OE2 3.35Å; R61-E162 PolarHBondContact NH2-OE2 3.2Å; Y158-E162 HydrophobicContact CD2-CB 3.8Å; Y158-E162 HydrophobicContact CE2-CB 3.99Å; Y158-E162 PolarHBondContact O-N 3.16Å; E162-V164 PolarHBondContact O-N 3.31Å; E162-E165 PolarHBondContact O-N 2.9Å; E162-W166 WeakPolarHBondContact O-CB 3.49Å; E162-W166 PolarHBondContact O-N 2.85Å
163C98.8Very high98.4Very high0 Ų061.6 Ų61.60%029%0.286CS..Hα-helixtrans-59.2-48.7179.8-1720000111.9M4 C100 Y158 G161 L167M4-C163 HydrophobicContact CE-CB 4.19Å; M4-C163 WeakPolarHBondContact CE-O 3.49Å; M4-C163 VanDerWaalsContact CE-SG 3.56Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.19Å; C100-C163 PolarHBondContact N-SG 2.89Å; C100-C163 WeakPolarHBondContact SG-CB 3.33Å; C100-C163 PolarHBondContact SG-O 3.1Å; C100-C163 CovalentContact SG-SG 2.05Å; C100-C163 PolarHBondContact SG-SG 3.19Å; Y158-C163 HydrophobicContact CD1-CB 4.25Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.46Å; Y158-C163 PolarHBondContact O-N 3.21Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.47Å; G161-C163 VanDerWaalsContact O-N 3.14Å; C163-L167 WeakPolarHBondContact O-CB 3.14Å; C163-L167 PolarHBondContact O-N 2.83Å
164V98.7Very high98.3Very high8 Ų856.5 Ų56.55%0.04826%0.264CS..Hα-helixtrans-69-40.7-178.7172.70000110.9C100 V102 G106 L108 L159 G161 E162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.27Å; V102-V164 HydrophobicContact CG1-CB 4.46Å; V102-V164 HydrophobicContact CG1-CG1 4.03Å; V102-V164 HydrophobicContact CG1-CG2 4Å; G106-V164 WeakPolarHBondContact O-CG1 3.43Å; L108-V164 HydrophobicContact CB-CG2 4.08Å; L108-V164 HydrophobicContact CD1-CG2 3.86Å; L159-V164 WeakPolarHBondContact O-CG2 3.48Å; G161-V164 PolarHBondContact O-N 2.77Å; E162-V164 PolarHBondContact O-N 3.31Å; V164-L167 PolarHBondContact O-N 3Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 3.01Å
165E98.6Very high98.2Very high127 Ų12755.3 Ų55.359%0.59326%0.257SS*.Hα-helixtrans-62-46.9178.2-70.5178.6175.800111.8G161 E162 R168 R169G161-E165 WeakPolarHBondContact O-CG 3.5Å; G161-E165 PolarHBondContact O-N 2.93Å; E162-E165 PolarHBondContact O-N 2.9Å; E165-R168 PolarHBondContact O-N 2.88Å; E165-R169 PolarHBondContact O-N 3.48Å; E165-R169 VanDerWaalsContact O-N 3.1Å
166W98.6Very high97.9Very high63 Ų6357.8 Ų57.824%0.23928%0.276CS..Hα-helixtrans-67.4-42.5177.2-81.6109.4000112.4M4 Y58 E162 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.09Å; M4-W166 HydrophobicContact SD-CB 4.47Å; Y58-W166 AromaticContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CH2 3.57Å; Y58-W166 HydrophobicContact CD2-CZ2 4.11Å; Y58-W166 AromaticContact CD2-CZ3 3.99Å; Y58-W166 HydrophobicContact CD2-CZ3 3.99Å; Y58-W166 HydrophobicContact CE2-CE3 4.4Å; Y58-W166 AromaticContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CH2 3.89Å; Y58-W166 HydrophobicContact CE2-CZ2 4.34Å; Y58-W166 AromaticContact CE2-CZ3 3.91Å; Y58-W166 HydrophobicContact CE2-CZ3 3.91Å; E162-W166 WeakPolarHBondContact O-CB 3.49Å; E162-W166 PolarHBondContact O-N 2.85Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 2.72Å; W166-R169 WeakPolarHBondContact O-CB 3.36Å; W166-R169 PolarHBondContact O-N 3.17Å; W166-R169 VanDerWaalsContact O-N 3.15Å; W166-Y170 HydrophobicContact CB-CE2 4.01Å; W166-Y170 HydrophobicContact CE3-CD1 4.37Å; W166-Y170 AromaticContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE1 3.44Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE2 4.36Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-OH 3.22Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.3Å; W166-Y170 PolarHBondContact O-N 3.03Å
167L98.8Very high97.7Very high0 Ų059.1 Ų59.10%028%0.283CS..Hα-helixtrans-57.6-45.5175.9173.953.1000111.2H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.35Å; M4-L167 HydrophobicContact CB-CB 4.03Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.08Å; M4-L167 HydrophobicContact CB-CG 4.24Å; M4-L167 HydrophobicContact CE-CB 4.38Å; M4-L167 HydrophobicContact SD-CB 4.37Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.2Å; V102-L167 HydrophobicContact CB-CD2 4.36Å; V102-L167 HydrophobicContact CG1-CD2 3.95Å; V102-L167 HydrophobicContact CG2-CD2 3.58Å; V102-L167 HydrophobicContact CG2-CG 4.24Å; C163-L167 WeakPolarHBondContact O-CB 3.14Å; C163-L167 PolarHBondContact O-N 2.83Å; V164-L167 PolarHBondContact O-N 3Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.13Å; L167-Y170 PolarHBondContact O-N 3.4Å; L167-L171 HydrophobicContact CD1-CD1 3.97Å; L167-L171 HydrophobicContact CD1-CD2 4.42Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 4.1Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 2.74Å
168R98.4Very high97.4Very high117 Ų11756.2 Ų56.244%0.44226%0.258SS..Hα-helixtrans-60.6-42.9176.1-72173.9-175.9-177.44.1112.4G106 V164 E165 W166 Y170 L171 E172G106-R168 PolarHBondContact O-NE 3.39Å; G106-R168 PolarHBondContact O-NH2 2.85Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 3.01Å; E165-R168 PolarHBondContact O-N 2.88Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 2.72Å; R168-Y170 VanDerWaalsContact C-N 3.34Å; R168-L171 PolarHBondContact O-N 2.91Å; R168-E172 PolarHBondContact O-N 3.36Å; R168-E172 VanDerWaalsContact O-N 3.09Å
169R98.3Very high97.2Very high115 Ų11559.2 Ų59.243%0.43427%0.274SS..Hα-helixtrans-60.8-44175.8177.3179.3171.9106.5-5.6111.3E54 E165 W166 L167 E172 N173E54-R169 VanDerWaalsContact CD-NH2 3.32Å; E54-R169 IonicContact OE1-CZ 3.33Å; E54-R169 IonicContact OE1-NE 3.72Å; E54-R169 PolarHBondContact OE1-NE 3.43Å; E54-R169 IonicContact OE1-NH2 3.73Å; E54-R169 PolarHBondContact OE1-NH2 2.97Å; E54-R169 VanDerWaalsContact OE1-NH2 3.08Å; E54-R169 IonicContact OE2-CZ 2.78Å; E54-R169 IonicContact OE2-NE 3.06Å; E54-R169 IonicContact OE2-NH2 2.64Å; E54-R169 PolarHBondContact OE2-NH2 3.3Å; E165-R169 PolarHBondContact O-N 3.48Å; E165-R169 VanDerWaalsContact O-N 3.1Å; W166-R169 WeakPolarHBondContact O-CB 3.36Å; W166-R169 PolarHBondContact O-N 3.17Å; W166-R169 VanDerWaalsContact O-N 3.15Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.13Å; R169-E172 PolarHBondContact O-N 3.09Å; R169-N173 VanDerWaalsContact O-CB 3.25Å; R169-N173 WeakPolarHBondContact O-CB 3.3Å; R169-N173 PolarHBondContact O-N 2.92Å; R169-N173 PolarHBondContact O-OD1 3.22Å
170Y98.4Very high97Very high1 Ų164.2 Ų64.20%0.00429%0.293CS..Hα-helixtrans-66.6-38.9179.3-61.3-27.9000112.7M4 V27 F32 W50 I51 Y58 W166 L167 R168 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.67Å; M4-Y170 HydrophobicContact SD-CE2 3.52Å; M4-Y170 VanDerWaalsContact SD-CE2 3.52Å; V27-Y170 HydrophobicContact CG2-CD2 4.01Å; F32-Y170 HydrophobicContact CE2-CD2 4.38Å; F32-Y170 AromaticContact CE2-CE2 3.76Å; F32-Y170 HydrophobicContact CE2-CE2 3.76Å; F32-Y170 HydrophobicContact CZ-CD2 4.42Å; F32-Y170 AromaticContact CZ-CE2 3.91Å; F32-Y170 HydrophobicContact CZ-CE2 3.91Å; W50-Y170 HydrophobicContact CE3-CD1 4.28Å; W50-Y170 HydrophobicContact CE3-CG 4.44Å; W50-Y170 HydrophobicContact CH2-CD2 4.42Å; W50-Y170 HydrophobicContact CH2-CG 4.1Å; W50-Y170 AromaticContact CZ3-CD1 3.64Å; W50-Y170 HydrophobicContact CZ3-CD1 3.64Å; W50-Y170 HydrophobicContact CZ3-CD2 4.21Å; W50-Y170 HydrophobicContact CZ3-CE1 4.36Å; W50-Y170 AromaticContact CZ3-CG 3.55Å; W50-Y170 HydrophobicContact CZ3-CG 3.55Å; I51-Y170 HydrophobicContact CD1-CD1 3.88Å; I51-Y170 HydrophobicContact CD1-CE1 3.27Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.25Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.25Å; Y58-Y170 PolarHBondContact OH-OH 3.07Å; W166-Y170 HydrophobicContact CB-CE2 4.01Å; W166-Y170 HydrophobicContact CE3-CD1 4.37Å; W166-Y170 AromaticContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE1 3.44Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.44Å; W166-Y170 HydrophobicContact CE3-CE2 4.36Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-OH 3.22Å; W166-Y170 AromaticContact CZ3-CE1 3.85Å; W166-Y170 HydrophobicContact CZ3-CE1 3.85Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.3Å; W166-Y170 PolarHBondContact O-N 3.03Å; L167-Y170 PolarHBondContact O-N 3.4Å; R168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-N173 PolarHBondContact O-N 3.46Å; Y170-G174 WeakPolarHBondContact O-CA 3.37Å; Y170-G174 PolarHBondContact O-N 3.15Å; Y170-L178 WeakPolarHBondContact O-CD1 3.42Å
171L98.1Very high97Very high14 Ų1461.3 Ų61.37%0.07329%0.285CS..Hα-helixtrans-60.5-46.4173.9-69.4169.2000111.5H2 V27 L167 R168 G174 K175 L178H2-L171 HydrophobicContact CB-CD1 3.77Å; H2-L171 HydrophobicContact CB-CD2 3.99Å; H2-L171 HydrophobicContact CB-CG 4.45Å; H2-L171 VanDerWaalsContact CG-CD2 3.48Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.33Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; L167-L171 HydrophobicContact CD1-CD1 3.97Å; L167-L171 HydrophobicContact CD1-CD2 4.42Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 4.1Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.44Å; L167-L171 PolarHBondContact O-N 2.74Å; R168-L171 PolarHBondContact O-N 2.91Å; L171-G174 CarbonylContact O-C 3.56Å; L171-G174 PolarHBondContact O-N 3.41Å; L171-K175 WeakPolarHBondContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CB 3.46Å; L171-K175 PolarHBondContact O-N 3.08Å; L171-L178 HydrophobicContact CD2-CB 4.08Å; L171-L178 HydrophobicContact CD2-CD1 4.36Å
172E97.8Very high96.9Very high112 Ų11261.9 Ų61.952%0.52328%0.283SS..Hα-helixtrans-63.7-47176.4-179.357.9-13800111.8R168 R169 G174 K175R168-E172 PolarHBondContact O-N 3.36Å; R168-E172 VanDerWaalsContact O-N 3.09Å; R169-E172 PolarHBondContact O-N 3.09Å; E172-G174 VanDerWaalsContact C-N 3.27Å; E172-G174 PolarHBondContact O-N 3.47Å; E172-K175 IonicContact OE1-NZ 3.68Å; E172-K175 PolarHBondContact OE1-NZ 3.47Å
173N97.5Very high97Very high51 Ų5161.2 Ų61.227%0.27329%0.286SS..Hα-helixtrans-61.8-34.6179.7-77.3-2.5000112.9Q53 E54 R169 Y170Q53-N173 PolarHBondContact NE2-ND2 3.39Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.19Å; E54-N173 PolarHBondContact OE1-ND2 3.39Å; R169-N173 VanDerWaalsContact O-CB 3.25Å; R169-N173 WeakPolarHBondContact O-CB 3.3Å; R169-N173 PolarHBondContact O-N 2.92Å; R169-N173 PolarHBondContact O-OD1 3.22Å; Y170-N173 PolarHBondContact O-N 3.46Å
174G96.9Very high96.9Very high5 Ų561.6 Ų61.65%0.05229%0.288CS..THydrogen-bonded Turntrans-108.812.3-174.400000114.6Y170 L171 E172 D176 K177 L178Y170-G174 WeakPolarHBondContact O-CA 3.37Å; Y170-G174 PolarHBondContact O-N 3.15Å; L171-G174 CarbonylContact O-C 3.56Å; L171-G174 PolarHBondContact O-N 3.41Å; E172-G174 VanDerWaalsContact C-N 3.27Å; E172-G174 PolarHBondContact O-N 3.47Å; G174-D176 VanDerWaalsContact C-N 3.3Å; G174-D176 PolarHBondContact O-N 2.93Å; G174-D176 VanDerWaalsContact O-N 3.13Å; G174-K177 CarbonylContact O-C 3.56Å; G174-K177 WeakPolarHBondContact O-CA 3.41Å; G174-K177 PolarHBondContact O-N 2.79Å; G174-L178 PolarHBondContact O-N 2.7Å
175K95.3Very high96.9Very high93 Ų9368.8 Ų68.840%0.40432%0.319SS..Hα-helixtrans-51.2-41.5-167.265.3-172.1172.7-1630115L171 E172 K177 E179L171-K175 WeakPolarHBondContact O-CA 3.25Å; L171-K175 WeakPolarHBondContact O-CB 3.46Å; L171-K175 PolarHBondContact O-N 3.08Å; E172-K175 IonicContact OE1-NZ 3.68Å; E172-K175 PolarHBondContact OE1-NZ 3.47Å; K175-K177 PolarHBondContact O-N 2.78Å; K175-E179 HydrophobicContact CB-CG 4.5Å; K175-E179 PolarHBondContact O-N 3.47Å
176D93.2Very high97Very high128 Ų12864.5 Ų64.568%0.68430%0.302SS*.Hα-helixtrans-58.4-23.9-179.8-67.8-10.4000112.9G174G174-D176 VanDerWaalsContact C-N 3.3Å; G174-D176 PolarHBondContact O-N 2.93Å; G174-D176 VanDerWaalsContact O-N 3.13Å
177K92.8Very high97Very high98 Ų9865.2 Ų65.243%0.42631%0.307SS..Hα-helixtrans-107-61.2176.2-67-63.8-176.7176.80110.7G174 K175 E179 R180 R238G174-K177 CarbonylContact O-C 3.56Å; G174-K177 WeakPolarHBondContact O-CA 3.41Å; G174-K177 PolarHBondContact O-N 2.79Å; K175-K177 PolarHBondContact O-N 2.78Å; K177-E179 VanDerWaalsContact C-N 3.35Å; K177-E179 PolarHBondContact O-N 2.68Å; K177-R180 WeakPolarHBondContact O-CB 3.48Å; K177-R180 PolarHBondContact O-N 2.82Å; K177-R180 VanDerWaalsContact O-N 3.07Å; K177-R238 VanDerWaalsContact O-CZ 3.22Å; K177-R238 PolarHBondContact O-NH1 3.41Å; K177-R238 PolarHBondContact O-NH2 2.85Å
178L93.6Very high97Very high4 Ų466.3 Ų66.32%0.02131%0.314CS..Hα-helixtrans-63.9-36-166.1-65.1174.1000113.3V27 T30 W50 Y170 L171 G174 R180V27-L178 HydrophobicContact CB-CD1 4.39Å; V27-L178 HydrophobicContact CB-CD2 4.24Å; V27-L178 HydrophobicContact CG1-CD1 4Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å; T30-L178 HydrophobicContact CG2-CD2 4.11Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.46Å; W50-L178 HydrophobicContact CZ2-CD1 3.89Å; W50-L178 HydrophobicContact CZ2-CD2 4.25Å; Y170-L178 WeakPolarHBondContact O-CD1 3.42Å; L171-L178 HydrophobicContact CD2-CB 4.08Å; L171-L178 HydrophobicContact CD2-CD1 4.36Å; G174-L178 PolarHBondContact O-N 2.7Å; L178-R180 VanDerWaalsContact C-N 3.31Å
179E92.7Very high97Very high116 Ų11662.3 Ų62.354%0.54230%0.303SS..THydrogen-bonded Turntrans-890.5178.4-59.5-172.3168.400113K175 K177K175-E179 HydrophobicContact CB-CG 4.5Å; K175-E179 PolarHBondContact O-N 3.47Å; K177-E179 VanDerWaalsContact C-N 3.35Å; K177-E179 PolarHBondContact O-N 2.68Å
180R95.5Very high97Very high107 Ų10759.1 Ų59.140%0.40429%0.292SS..  trans-97.4114.2-178.8-166.7-175.778.6-173.78.7111K177 L178 D182 Y208K177-R180 WeakPolarHBondContact O-CB 3.48Å; K177-R180 PolarHBondContact O-N 2.82Å; K177-R180 VanDerWaalsContact O-N 3.07Å; L178-R180 VanDerWaalsContact C-N 3.31Å; R180-D182 IonicContact CZ-OD1 3.29Å; R180-D182 VanDerWaalsContact CZ-OD1 3.29Å; R180-D182 IonicContact CZ-OD2 3.75Å; R180-D182 IonicContact NE-OD1 2.8Å; R180-D182 PolarHBondContact NE-OD1 2.94Å; R180-D182 IonicContact NE-OD2 3.67Å; R180-D182 IonicContact NH2-OD1 3.11Å; R180-D182 PolarHBondContact NH2-OD1 2.62Å; R180-D182 VanDerWaalsContact NH2-OD1 3.11Å; R180-D182 IonicContact NH2-OD2 2.93Å; R180-D182 PolarHBondContact NH2-OD2 2.94Å; R180-Y208 WeakPolarHBondContact O-CD1 3.43Å
181A97.6Very high96.9Very high30 Ų3062.9 Ų62.925%0.24831%0.31CS..  trans-81.5125.416500000110.3Y208A181-Y208 CarbonylContact C-O 3.52Å; A181-Y208 VanDerWaalsContact CA-O 3.23Å; A181-Y208 WeakPolarHBondContact CA-O 3.33Å
182D98.1Very high96.8Very high32 Ų3267 Ų6717%0.17134%0.338CS..BIsolated β-bridgetrans-96.8115.1173-67.6-34.9000107.4R180 F207 Y208 H262R180-D182 IonicContact CZ-OD1 3.29Å; R180-D182 VanDerWaalsContact CZ-OD1 3.29Å; R180-D182 IonicContact CZ-OD2 3.75Å; R180-D182 IonicContact NE-OD1 2.8Å; R180-D182 PolarHBondContact NE-OD1 2.94Å; R180-D182 IonicContact NE-OD2 3.67Å; R180-D182 IonicContact NH2-OD1 3.11Å; R180-D182 PolarHBondContact NH2-OD1 2.62Å; R180-D182 VanDerWaalsContact NH2-OD1 3.11Å; R180-D182 IonicContact NH2-OD2 2.93Å; R180-D182 PolarHBondContact NH2-OD2 2.94Å; D182-F207 CarbonylContact O-C 3.54Å; D182-F207 WeakPolarHBondContact O-CA 3.35Å; D182-F207 WeakPolarHBondContact O-CB 3.44Å; D182-Y208 PolarHBondContact N-O 2.82Å; D182-Y208 PolarHBondContact O-N 2.97Å; D182-H262 PolarHBondContact O-CE1 2.96Å; D182-H262 VanDerWaalsContact O-CE1 3.26Å
183P98.5Very high96.7Very high64 Ų6466.2 Ų66.242%0.41634%0.336SS..  trans-71.1151.1-176.525.9-33.1000112.6K185 L265P183-K185 PolarHBondContact O-N 3.22Å; P183-L265 HydrophobicContact CB-CD2 3.93Å; P183-L265 HydrophobicContact CB-CG 4.41Å
184P98.7Very high96.6Very high9 Ų966.3 Ų66.36%0.05834%0.341CS..  trans-68133.6179.828.4-35.3000112T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 3.98Å; P184-T186 HydrophobicContact CG-CG2 4.17Å; P184-T186 PolarHBondContact O-N 3.14Å; P184-A204 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.97Å; P184-F207 HydrophobicContact CB-CG 4.18Å; P184-I212 HydrophobicContact CB-CD1 4.01Å; P184-I212 HydrophobicContact CG-CD1 4.07Å; P184-V260 HydrophobicContact CG-CG1 3.91Å; P184-H262 HydrophobicContact CG-CB 4.02Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CG 4.27Å
185K98.7Very high96.4Very high159 Ų15973.2 Ų73.269%0.69138%0.376SS*.EExtended strand (participates in β ladder)trans-78.7115.5162.6-61.3176.4-170.8171.80107.8P183 L205P183-K185 PolarHBondContact O-N 3.22Å; K185-L205 PolarHBondContact N-O 2.86Å; K185-L205 PolarHBondContact O-N 3.41Å
186T98.7Very high96.4Very high37 Ų3775.7 Ų75.723%0.22739%0.389CS..EExtended strand (participates in β ladder)trans-114.9142.7-171.351.50000112.1P184 W203 A204 V260 L269P184-T186 HydrophobicContact CB-CG2 3.98Å; P184-T186 HydrophobicContact CG-CG2 4.17Å; P184-T186 PolarHBondContact O-N 3.14Å; T186-W203 WeakPolarHBondContact CA-O 3.3Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.08Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; T186-L269 HydrophobicContact CG2-CD1 4.35Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.46Å
187H98.6Very high96.5Very high78 Ų7873.9 Ų73.936%0.36138%0.376SS..EExtended strand (participates in β ladder)trans-159.3160.4172.662.8-77.1000110W203H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.48Å; H187-W203 AromaticContact CE1-CG 3.74Å; H187-W203 PolarHBondContact N-O 2.96Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 2.97Å
188V98.8Very high96.8Very high22 Ų2269.2 Ų69.213%0.13336%0.356CS..EExtended strand (participates in β ladder)trans-112.1130.6175.5-179.30000108.9L200 R201 W216 L271 W273V188-L200 HydrophobicContact CG1-CB 4.39Å; V188-L200 HydrophobicContact CG1-CD2 4.44Å; V188-R201 CarbonylContact C-O 3.52Å; V188-R201 WeakPolarHBondContact CA-O 3.45Å; V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.23Å; V188-W216 HydrophobicContact CG2-CH2 4.23Å; V188-L271 HydrophobicContact CG2-CB 3.86Å; V188-W273 HydrophobicContact CG1-CB 3.94Å
189T98.5Very high97Very high34 Ų3470 Ų7021%0.20936%0.361CS..EExtended strand (participates in β ladder)trans-107148.2171.166.10000110.5H191 L200 R201T189-H191 WeakPolarHBondContact CB-NE2 3.31Å; T189-H191 PolarHBondContact OG1-NE2 2.9Å; T189-L200 WeakPolarHBondContact O-CA 3.35Å; T189-R201 PolarHBondContact N-O 3.45Å; T189-R201 PolarHBondContact O-N 2.84Å
190H98.1Very high97.3Very high47 Ų4764.5 Ų64.522%0.21834%0.335CS..EExtended strand (participates in β ladder)trans-119.1128.3180170.5-91.2000109.7A198 T199 L200 E253 W273H190-A198 WeakPolarHBondContact NE2-CB 3.46Å; H190-T199 WeakPolarHBondContact CA-O 3.2Å; H190-L200 HydrophobicContact CB-CD2 4.08Å; H190-E253 IonicContact NE2-OE1 3.97Å; H190-W273 HydrophobicContact CB-CD2 3.89Å; H190-W273 VanDerWaalsContact CB-CE2 3.48Å; H190-W273 HydrophobicContact CB-CG 3.99Å; H190-W273 HydrophobicContact CB-CZ2 4Å; H190-W273 VanDerWaalsContact CB-NE1 3.34Å; H190-W273 AromaticContact CG-CE2 3.75Å; H190-W273 AromaticContact CG-CZ2 3.81Å; H190-W273 AromaticContact ND1-CZ2 3.91Å
191H97.1Very high97.4Very high81 Ų8161.9 Ų61.938%0.37533%0.325SS..EExtended strand (participates in β ladder)trans-131.4105.2-178.6-57-77000109.9T189 I193 A198 T199 R201T189-H191 WeakPolarHBondContact CB-NE2 3.31Å; T189-H191 PolarHBondContact OG1-NE2 2.9Å; H191-I193 PolarHBondContact O-N 3Å; H191-A198 CarbonylContact O-C 3.59Å; H191-A198 WeakPolarHBondContact O-CA 3.23Å; H191-T199 PolarHBondContact N-O 2.84Å; H191-T199 PolarHBondContact O-N 3.5Å; H191-R201 PolarHBondContact CD2-NH1 2.79Å; H191-R201 PolarHBondContact NE2-NH1 2.02Å
192P96.4Very high97.5Very high101 Ų10160.4 Ų60.466%0.65631%0.314SS*.EExtended strand (participates in β ladder)trans-57.2132173-22.132000111.1
193I95.3Very high97.5Very high95 Ų9561.1 Ų61.149%0.48731%0.314SS..  trans-102.8-42.4175-50.8172.8000109.5H191 E197 T199 V247H191-I193 PolarHBondContact O-N 3Å; I193-E197 PolarHBondContact N-O 2.87Å; I193-T199 VanDerWaalsContact CD1-OG1 3.27Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.39Å; I193-V247 HydrophobicContact CD1-CG1 3.88Å; I193-V247 HydrophobicContact CD1-CG2 3.97Å
194S95.1Very high97.5Very high53 Ų5358.1 Ų58.137%0.37129%0.294SS..SBendtrans-148.3-178.3178.272.30000110.4H196 E197S194-H196 PolarHBondContact O-N 3Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 3.32Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; S194-E197 PolarHBondContact N-O 2.83Å; S194-E197 VanDerWaalsContact N-O 3.11Å; S194-E197 PolarHBondContact OG-N 2.81Å
195D92.9Very high97.5Very high150 Ų15060.1 Ų60.180%0.80230%0.304SS*.SBendtrans-65.5-9.9172.4-65.6-21.4000113.4
196H95Very high97.5Very high144 Ų14453.6 Ų53.667%0.66728%0.283SS*.SBendtrans-116.4-16.4-175.2-55.5-45.2000113.5S194 P249 S250S194-H196 PolarHBondContact O-N 3Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 3.32Å; S194-H196 VanDerWaalsContact OG-N 3.16Å; H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.44Å; H196-S250 VanDerWaalsContact C-OG 3.24Å; H196-S250 PolarHBondContact O-N 3.33Å; H196-S250 PolarHBondContact O-OG 3.01Å
197E96.6Very high97.5Very high90 Ų9051.9 Ų51.942%0.42127%0.272SS..EExtended strand (participates in β ladder)trans-144.2146-169.7-66.7-178.5152.700112.7I193 S194 V247 V248 S250I193-E197 PolarHBondContact N-O 2.87Å; S194-E197 PolarHBondContact N-O 2.83Å; S194-E197 VanDerWaalsContact N-O 3.11Å; S194-E197 PolarHBondContact OG-N 2.81Å; E197-V247 HydrophobicContact CB-CG1 3.99Å; E197-V247 HydrophobicContact CG-CG1 4.22Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.15Å; E197-S250 PolarHBondContact N-OG 2.95Å
198A97.6Very high97.5Very high0 Ų048.3 Ų48.30%026%0.255CS..EExtended strand (participates in β ladder)trans-135.4153.9171.500000111.2H190 H191 V247 V248H190-A198 WeakPolarHBondContact NE2-CB 3.46Å; H191-A198 CarbonylContact O-C 3.59Å; H191-A198 WeakPolarHBondContact O-CA 3.23Å; A198-V247 WeakPolarHBondContact O-CA 3.45Å; A198-V248 PolarHBondContact N-O 3.35Å; A198-V248 PolarHBondContact O-N 3.06Å
199T98.4Very high97.5Very high21 Ų2148.2 Ų48.213%0.12926%0.255CS..EExtended strand (participates in β ladder)trans-89.7124.7167.3-53.20000109.7H190 H191 I193 A245 V246H190-T199 WeakPolarHBondContact CA-O 3.2Å; H191-T199 PolarHBondContact N-O 2.84Å; H191-T199 PolarHBondContact O-N 3.5Å; I193-T199 VanDerWaalsContact CD1-OG1 3.27Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.39Å; T199-A245 HydrophobicContact CG2-CB 3.84Å; T199-V246 WeakPolarHBondContact CA-O 3.47Å
200L98.7Very high97.5Very high0 Ų047.4 Ų47.40%025%0.252CS..EExtended strand (participates in β ladder)trans-94.8124161.2-62.4-176.3000108.9V188 T189 H190 W216 A245 V246 V248 E253 Y256 W273V188-L200 HydrophobicContact CG1-CB 4.39Å; V188-L200 HydrophobicContact CG1-CD2 4.44Å; T189-L200 WeakPolarHBondContact O-CA 3.35Å; H190-L200 HydrophobicContact CB-CD2 4.08Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.02Å; L200-W216 HydrophobicContact CD1-CZ3 4.17Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.27Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 2.89Å; L200-V246 PolarHBondContact O-N 3.49Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.12Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.19Å; L200-E253 HydrophobicContact CD2-CG 4.34Å; L200-Y256 HydrophobicContact CD1-CG 4.49Å; L200-W273 HydrophobicContact CD2-CB 3.91Å; L200-W273 HydrophobicContact CD2-CG 4.18Å
201R98.8Very high97.5Very high52 Ų5252 Ų5220%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-119.1117.3177.2-175.5177.9-66112.80.4110.4V188 T189 H191 W203 W243 A245V188-R201 CarbonylContact C-O 3.52Å; V188-R201 WeakPolarHBondContact CA-O 3.45Å; T189-R201 PolarHBondContact N-O 3.45Å; T189-R201 PolarHBondContact O-N 2.84Å; H191-R201 PolarHBondContact CD2-NH1 2.79Å; H191-R201 PolarHBondContact NE2-NH1 2.02Å; R201-W203 VanDerWaalsContact CD-CE2 3.4Å; R201-W203 VanDerWaalsContact CD-CZ2 3.42Å; R201-W203 VanDerWaalsContact CD-NE1 3.33Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.16Å; R201-W243 HydrophobicContact CG-CE3 3.97Å; R201-W243 HydrophobicContact CG-CG 4.22Å; R201-A245 HydrophobicContact CB-CB 4.14Å; R201-A245 HydrophobicContact CG-CB 4.19Å
202C98.8Very high97.6Very high0 Ų048.7 Ų48.70%026%0.258CS..EExtended strand (participates in β ladder)trans-90.3122.8174.3-172.50000109.8W216 W243 A244 C258C202-W216 HydrophobicContact CB-CZ2 3.67Å; C202-W243 CarbonylContact O-C 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.38Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.19Å; C202-A244 PolarHBondContact N-O 2.94Å; C202-A244 PolarHBondContact O-N 2.88Å; C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.45Å; C202-C258 WeakPolarHBondContact SG-CB 3.37Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.11Å
203W98.8Very high97.7Very high47 Ų4746.6 Ų46.618%0.17824%0.244CC..EExtended strand (participates in β ladder)trans-104.4141.7179.9-7290.7000111.1T186 H187 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.3Å; H187-W203 VanDerWaalsContact CE1-CB 3.43Å; H187-W203 WeakPolarHBondContact CE1-CB 3.48Å; H187-W203 AromaticContact CE1-CG 3.74Å; H187-W203 PolarHBondContact N-O 2.96Å; H187-W203 AromaticContact NE2-CD1 3.55Å; H187-W203 AromaticContact NE2-CG 3.72Å; H187-W203 PolarHBondContact O-N 2.97Å; R201-W203 VanDerWaalsContact CD-CE2 3.4Å; R201-W203 VanDerWaalsContact CD-CZ2 3.42Å; R201-W203 VanDerWaalsContact CD-NE1 3.33Å; R201-W203 HydrophobicContact CG-CZ2 4.45Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.37Å; W203-W243 HydrophobicContact CD2-CB 3.95Å; W203-W243 HydrophobicContact CE3-CB 3.88Å; W203-W243 AromaticContact CE3-CD1 3.97Å; W203-W243 HydrophobicContact CE3-CG 4.26Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.57Å; W203-W243 HydrophobicContact CH2-CG 4.22Å; W203-W243 HydrophobicContact CZ2-CG 4.46Å; W203-W243 HydrophobicContact CZ3-CB 4.25Å; W203-W243 AromaticContact CZ3-CD1 3.45Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.45Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å
204A98.8Very high97.8Very high0 Ų042.4 Ų42.40%022%0.222CC..EExtended strand (participates in β ladder)trans-125.4123.7162.300000108.2P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.86Å; T186-A204 HydrophobicContact CG2-CB 4.33Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.12Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; A204-L214 HydrophobicContact CB-CD1 3.93Å; A204-L214 HydrophobicContact CB-CD2 4.07Å; A204-Q241 WeakPolarHBondContact O-CA 3.34Å; A204-K242 PolarHBondContact N-O 2.77Å; A204-K242 PolarHBondContact O-N 3.19Å; A204-K242 VanDerWaalsContact O-O 3.12Å
205L98.8Very high98Very high51 Ų5141.7 Ų41.727%0.26722%0.216SC..EExtended strand (participates in β ladder)trans-131.5147.9-175-60.4176.2000111.1K185 W203 F207 Q241K185-L205 PolarHBondContact N-O 2.86Å; K185-L205 PolarHBondContact O-N 3.41Å; W203-L205 HydrophobicContact CE3-CD2 3.89Å; W203-L205 HydrophobicContact CZ3-CD2 4.37Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 3.45Å; L205-Q241 HydrophobicContact CD2-CB 3.88Å; L205-Q241 HydrophobicContact CD2-CG 3.96Å
206G98.4Very high98.3Very high23 Ų2334.6 Ų34.624%0.23718%0.178CC..EExtended strand (participates in β ladder)trans7226.3167.600000114.1T239 F240G206-T239 WeakPolarHBondContact CA-OG1 3.02Å; G206-F240 PolarHBondContact N-O 2.88Å
207F98.7Very high98.4Very high0 Ų029.8 Ų29.80%016%0.156CC..EExtended strand (participates in β ladder)trans-98.5153.3-178.559.6-87.6000113D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 CarbonylContact O-C 3.54Å; D182-F207 WeakPolarHBondContact O-CA 3.35Å; D182-F207 WeakPolarHBondContact O-CB 3.44Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.97Å; P184-F207 HydrophobicContact CB-CG 4.18Å; A204-F207 HydrophobicContact CB-CD1 4.08Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.12Å; L205-F207 VanDerWaalsContact C-N 3.33Å; L205-F207 PolarHBondContact O-N 3.45Å; F207-P209 WeakPolarHBondContact CD2-O 3.42Å; F207-I212 HydrophobicContact CD1-CD1 3.89Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CE1-CD1 3.83Å; F207-I212 HydrophobicContact CE2-CB 3.78Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.97Å; F207-I212 HydrophobicContact CZ-CB 4.2Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.61Å; F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.91Å; F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 2.93Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.47Å; F207-F240 HydrophobicContact CD2-CB 3.91Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 VanDerWaalsContact CE1-O 3.3Å; F207-F240 WeakPolarHBondContact CE1-O 3.36Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.44Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 3.34Å; F207-F240 PolarHBondContact O-N 2.97Å; F207-K242 HydrophobicContact CE1-CB 4.37Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; F207-H262 AromaticContact CD2-CD2 3.88Å; F207-H262 AromaticContact CD2-NE2 3.82Å
208Y98.4Very high98.5Very high3 Ų328.9 Ų28.91%0.01215%0.148CC..BIsolated β-bridgetrans-150.5136.6172.2178.3-82.2000108.7D29 T30 R180 A181 D182 R238 F240 H262D29-Y208 HydrophobicContact CB-CD2 4.48Å; D29-Y208 HydrophobicContact CB-CE2 3.76Å; T30-Y208 WeakPolarHBondContact OG1-CE2 3.33Å; T30-Y208 PolarHBondContact OG1-OH 2.97Å; R180-Y208 WeakPolarHBondContact O-CD1 3.43Å; A181-Y208 CarbonylContact C-O 3.52Å; A181-Y208 VanDerWaalsContact CA-O 3.23Å; A181-Y208 WeakPolarHBondContact CA-O 3.33Å; D182-Y208 PolarHBondContact N-O 2.82Å; D182-Y208 PolarHBondContact O-N 2.97Å; Y208-R238 HydrophobicContact CD2-CG 3.82Å; Y208-R238 HydrophobicContact CE2-CG 3.99Å; Y208-R238 PolarHBondContact OH-NH2 3.08Å; Y208-F240 HydrophobicContact CD2-CE2 4.1Å; Y208-H262 PolarHBondContact O-CE1 2.93Å
209P98.3Very high98.5Very high21 Ų2133.6 Ų33.614%0.13617%0.173CC..SBendcis-70.3178.60.230.2-36.3000113D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CA 3.48Å; D29-P209 WeakPolarHBondContact OD2-CB 3.39Å; F207-P209 WeakPolarHBondContact CD2-O 3.42Å; P209-E211 VanDerWaalsContact C-N 3.32Å; P209-E211 PolarHBondContact O-N 2.64Å; P209-H262 PolarHBondContact O-NE2 3.44Å
210A98.3Very high98.2Very high17 Ų1734.9 Ų34.914%0.1419%0.191CC..SBendtrans-69.3-25.6-175.400000113.9D29 I212 T232 F240D29-A210 WeakPolarHBondContact OD2-CB 3.29Å; D29-A210 PolarHBondContact OD2-N 3.31Å; A210-I212 PolarHBondContact O-N 3.26Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; A210-F240 HydrophobicContact CB-CD1 3.75Å; A210-F240 HydrophobicContact CB-CD2 3.71Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.64Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.63Å
211E98.4Very high98.2Very high144 Ų14441.7 Ų41.767%0.67322%0.223SC*.  trans-63.6120.7179.5-17455.5-140.100110.3P209 H262P209-E211 VanDerWaalsContact C-N 3.32Å; P209-E211 PolarHBondContact O-N 2.64Å; E211-H262 PolarHBondContact O-CD2 2.97Å
212I98.6Very high98.1Very high11 Ų1143.7 Ų43.76%0.05624%0.237CC..  trans-156.1142.2-177.8-163.5172000109.6P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.01Å; P184-I212 HydrophobicContact CG-CD1 4.07Å; A204-I212 HydrophobicContact CB-CD1 3.62Å; F207-I212 HydrophobicContact CD1-CD1 3.89Å; F207-I212 HydrophobicContact CD2-CB 4.26Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CE1-CD1 3.83Å; F207-I212 HydrophobicContact CE2-CB 3.78Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.59Å; F207-I212 HydrophobicContact CG-CD1 3.97Å; F207-I212 HydrophobicContact CZ-CB 4.2Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.61Å; A210-I212 PolarHBondContact O-N 3.26Å; I212-L214 HydrophobicContact CB-CD1 4.44Å; I212-L214 HydrophobicContact CD1-CD1 3.56Å; I212-L214 HydrophobicContact CG1-CD1 3.6Å; I212-L214 HydrophobicContact CG2-CD1 4.09Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; I212-Q261 VanDerWaalsContact CG1-O 3.29Å; I212-Q261 WeakPolarHBondContact CG1-O 3.3Å; I212-H262 HydrophobicContact CD1-CB 4.45Å; I212-H262 HydrophobicContact CG1-CB 4.18Å
213T98.5Very high98Very high56 Ų5645 Ų4534%0.34424%0.243SC..EExtended strand (participates in β ladder)trans-111.9123.8172.4-60.40000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4Å; T213-V260 WeakPolarHBondContact O-CA 3.16Å; T213-Q261 PolarHBondContact N-O 3.16Å; T213-Q261 PolarHBondContact O-N 2.95Å
214L98.5Very high97.8Very high7 Ų747.9 Ų47.94%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-119.7119.7172.5-89.365.7000108.4A204 I212 L229 K242 A244 H259 V260A204-L214 HydrophobicContact CB-CD1 3.93Å; A204-L214 HydrophobicContact CB-CD2 4.07Å; I212-L214 HydrophobicContact CB-CD1 4.44Å; I212-L214 HydrophobicContact CD1-CD1 3.56Å; I212-L214 HydrophobicContact CG1-CD1 3.6Å; I212-L214 HydrophobicContact CG2-CD1 4.09Å; L214-L229 HydrophobicContact CB-CD1 4.26Å; L214-K242 HydrophobicContact CD1-CD 4.33Å; L214-K242 HydrophobicContact CD2-CB 4.29Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.37Å; L214-H259 WeakPolarHBondContact CA-O 3.39Å; L214-V260 HydrophobicContact CD1-CG1 4.1Å; L214-V260 HydrophobicContact CG-CG2 4.34Å
215T98.5Very high97.6Very high38 Ų3857 Ų5723%0.23331%0.309CS..EExtended strand (participates in β ladder)trans-131.6147.6176.356.80000111.5T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4Å; T215-C258 CarbonylContact O-C 3.58Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; T215-H259 PolarHBondContact N-O 3Å; T215-H259 PolarHBondContact O-N 2.97Å
216W98.6Very high97.3Very high2 Ų259.9 Ų59.91%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-101.9137.2167.9-82.8104.7000109.9V188 L200 C202 Q223 A244 V246 T257 C258V188-W216 HydrophobicContact CG1-CH2 3.86Å; V188-W216 HydrophobicContact CG1-CZ2 4.23Å; V188-W216 HydrophobicContact CG2-CH2 4.23Å; L200-W216 HydrophobicContact CB-CH2 3.68Å; L200-W216 HydrophobicContact CB-CZ2 3.74Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.02Å; L200-W216 HydrophobicContact CD1-CZ3 4.17Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.67Å; W216-Q223 HydrophobicContact CB-CB 4.35Å; W216-Q223 PolarHBondContact O-N 3.33Å; W216-A244 PolarHBondContact NE1-O 3.23Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.44Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.08Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.67Å; W216-V246 HydrophobicContact CG-CG2 3.79Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; W216-T257 CarbonylContact C-O 3.57Å; W216-T257 WeakPolarHBondContact CA-O 3.43Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.04Å; W216-C258 HydrophobicContact CZ3-CB 4.05Å
217Q98.6Very high97.2Very high43 Ų4359.9 Ų59.920%0.20132%0.32CS..EExtended strand (participates in β ladder)trans-119.5144.8170.9-69.8-174.3-9.700110.3E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 WeakPolarHBondContact CA-O 3.45Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.38Å; Q217-D222 PolarHBondContact NE2-OD1 2.88Å; Q217-Y256 CarbonylContact O-C 3.53Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.4Å; Q217-T257 PolarHBondContact N-O 3.3Å; Q217-T257 PolarHBondContact O-N 2.61Å; Q217-H259 PolarHBondContact OE1-CE1 2.99Å; Q217-H259 PolarHBondContact OE1-NE2 3.25Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.14Å
218R98.1Very high97.2Very high71 Ų7165.4 Ų65.427%0.26835%0.346SS..EExtended strand (participates in β ladder)trans-116.9120.1168.1-176.3-171.4-175.6178.90.6108G220 E221 Q223 E252 R255 Y256R218-G220 PolarHBondContact O-N 3.42Å; R218-E221 PolarHBondContact N-O 2.86Å; R218-E221 PolarHBondContact O-N 2.65Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; R218-E252 IonicContact CZ-OE2 2.94Å; R218-E252 IonicContact NE-OE2 2.64Å; R218-E252 IonicContact NH2-OE1 2.77Å; R218-E252 IonicContact NH2-OE2 3.22Å; R218-E252 PolarHBondContact NH2-OE2 3.08Å; R218-R255 WeakPolarHBondContact CA-O 3.36Å; R218-R255 HydrophobicContact CG-CB 4.43Å; R218-Y256 HydrophobicContact CB-CD1 4.08Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.3Å; R218-Y256 HydrophobicContact CG-CD1 4.45Å; R218-Y256 HydrophobicContact CG-CD2 4.48Å; R218-Y256 HydrophobicContact CG-CE1 4.04Å; R218-Y256 HydrophobicContact CG-CE2 4.04Å
219D96.9Very high97.1Very high98 Ų9869.5 Ų69.552%0.52437%0.368SS..THydrogen-bonded Turntrans51.428.2-174.9-52.4-49.5000114R255D219-R255 PolarHBondContact N-O 2.86Å; D219-R255 IonicContact OD1-NE 3.83Å; D219-R255 PolarHBondContact OD1-NE 2.9Å; D219-R255 IonicContact OD2-CZ 3.48Å; D219-R255 IonicContact OD2-NE 2.75Å; D219-R255 PolarHBondContact OD2-NE 2.99Å; D219-R255 IonicContact OD2-NH2 3.34Å; D219-R255 PolarHBondContact OD2-NH2 3.44Å
220G93.8Very high97.1Very high48 Ų4870.1 Ų70.150%0.49537%0.371SS..THydrogen-bonded Turntrans91.3-1.3-177.500000115.6R218R218-G220 PolarHBondContact O-N 3.42Å
221E97.3Very high97.1Very high143 Ų14377.5 Ų77.567%0.66840%0.402SS*.EExtended strand (participates in β ladder)trans-99.8129177.9-63.2-171.6171.600112.2Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 WeakPolarHBondContact CA-O 3.45Å; R218-E221 PolarHBondContact N-O 2.86Å; R218-E221 PolarHBondContact O-N 2.65Å; E221-Q223 PolarHBondContact O-NE2 3.24Å
222D97.1Very high97.1Very high94 Ų9472.8 Ų72.850%0.50338%0.384SS..EExtended strand (participates in β ladder)trans-61.8133.6-179-71.9-19000112.4Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.38Å; Q217-D222 PolarHBondContact NE2-OD1 2.88Å
223Q96.9Very high97.1Very high27 Ų2776.9 Ų76.913%0.12640%0.398CS..  trans-10340.8-177.2-58-61.1-72.800112.1W216 R218 E221 Q225 D226 T227 V246 Y256W216-Q223 HydrophobicContact CB-CB 4.35Å; W216-Q223 PolarHBondContact O-N 3.33Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; E221-Q223 PolarHBondContact O-NE2 3.24Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.21Å; Q223-D226 PolarHBondContact O-N 2.78Å; Q223-D226 VanDerWaalsContact O-N 3.16Å; Q223-T227 WeakPolarHBondContact O-CB 3.42Å; Q223-T227 PolarHBondContact O-N 3.07Å; Q223-T227 PolarHBondContact O-OG1 3.21Å; Q223-V246 HydrophobicContact CB-CG1 4.39Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å
224T93.8Very high97.1Very high109 Ų10978.9 Ų78.967%0.66941%0.412SS*.THydrogen-bonded Turntrans-58.8-36.8-169.8-49.80000113.8
225Q94.3Very high97Very high190 Ų19080.4 Ų80.489%0.88843%0.426SS*.THydrogen-bonded Turntrans-74.8-30.4-179.4-66.3-173.4-0.800112.8Q223Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.21Å
226D92.8Very high96.9Very high113 Ų11382.3 Ų82.360%0.60445%0.453SS*.THydrogen-bonded Turntrans-96.9-0.5-176.3-55.4-59.9000112.6Q223Q223-D226 PolarHBondContact O-N 2.78Å; Q223-D226 VanDerWaalsContact O-N 3.16Å
227T97.1Very high96.7Very high23 Ų2387.4 Ų87.414%0.14148%0.481CS..  trans-92.4119.2179.6-62.30000110.7Q223 L229 A244 A245 V246Q223-T227 WeakPolarHBondContact O-CB 3.42Å; Q223-T227 PolarHBondContact O-N 3.07Å; Q223-T227 PolarHBondContact O-OG1 3.21Å; T227-L229 HydrophobicContact CG2-CB 4.4Å; T227-L229 PolarHBondContact O-N 3.37Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; T227-A245 CarbonylContact C-O 3.53Å; T227-A245 WeakPolarHBondContact CA-O 3.23Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å
228E97.9Very high96.6Very high116 Ų11688 Ų8854%0.54248%0.481SS..EExtended strand (participates in β ladder)trans-75.6111.4162.6-172.8-174.8-17100108.9W243 A244 A245E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.33Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.31Å; E228-A244 CarbonylContact O-C 3.47Å; E228-A244 WeakPolarHBondContact O-CA 3.35Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 2.83Å; E228-A245 PolarHBondContact O-N 3.3Å
229L97.9Very high96.6Very high89 Ų8985.5 Ų85.547%0.46647%0.474SS..EExtended strand (participates in β ladder)trans-118118.1-179.1-172.569000110.1L214 T227 K242 A244L214-L229 HydrophobicContact CB-CD1 4.26Å; T227-L229 HydrophobicContact CG2-CB 4.4Å; T227-L229 PolarHBondContact O-N 3.37Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
230V97.7Very high96.7Very high33 Ų3382.1 Ų82.120%0.245%0.454CS..PPolyproline II helixtrans-82.2154175.8-65.60000112.2K242 W243V230-K242 HydrophobicContact CG2-CG 4.46Å; V230-K242 WeakPolarHBondContact O-CE 3.45Å; V230-K242 PolarHBondContact O-NZ 3.16Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.62Å; V230-W243 HydrophobicContact CG1-CZ2 3.15Å; V230-W243 HydrophobicContact CG1-CZ3 4.17Å; V230-W243 HydrophobicContact CG2-CD2 3.8Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.43Å; V230-W243 WeakPolarHBondContact CG2-O 3.47Å; V230-W243 PolarHBondContact N-O 3.24Å
231E97.9Very high96.9Very high172 Ų17282.1 Ų82.180%0.80444%0.441SS*.PPolyproline II helixtrans-55.7146166.8-69.2-175.1177.300111.2R233E231-R233 PolarHBondContact O-N 3Å
232T98.6Very high97Very high46 Ų4676.3 Ų76.328%0.28241%0.414SS..PPolyproline II helixtrans-67.2129.3173.1-57.70000108.3F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.06Å; F207-T232 HydrophobicContact CZ-CG2 3.91Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; T232-K242 WeakPolarHBondContact OG1-CD 3.11Å; T232-K242 PolarHBondContact OG1-NZ 3.16Å; T232-K242 VanDerWaalsContact OG1-NZ 3.13Å
233R98.4Very high97Very high97 Ų9773.1 Ų73.137%0.36640%0.395SS..EExtended strand (participates in β ladder)trans-125.2144.9-173.165.6-173.4-176.9-155.82.1112.2E231 F240 Q241E231-R233 PolarHBondContact O-N 3Å; R233-F240 CarbonylContact O-C 3.58Å; R233-F240 WeakPolarHBondContact O-CA 3.3Å; R233-Q241 HydrophobicContact CG-CB 3.98Å; R233-Q241 PolarHBondContact N-O 3.4Å; R233-Q241 PolarHBondContact O-N 3.13Å
234P98.1Very high97.1Very high97 Ų9771.8 Ų71.863%0.6339%0.389SS*.EExtended strand (participates in β ladder)trans-71.5142.117830-34.8000111.2F240P234-F240 HydrophobicContact CB-CE1 4.36Å
235A97.6Very high97.4Very high39 Ų3966.7 Ų66.732%0.32236%0.358SS..  trans-87-14.5173.600000113.3D237 T239 Q241A235-D237 WeakPolarHBondContact CB-OD1 3.45Å; A235-T239 WeakPolarHBondContact CB-O 3.5Å; A235-T239 WeakPolarHBondContact CB-OG1 3.5Å; A235-T239 PolarHBondContact N-O 3.02Å; A235-Q241 HydrophobicContact CB-CG 4.03Å
236G95.8Very high97.5Very high79 Ų7957.9 Ų57.981%0.81432%0.317SS*.SBendtrans92.4-4-178.700000114.8
237D95.1Very high97.8Very high109 Ų10956 Ų5658%0.58331%0.309SS*.SBendtrans-116.928.3-179.166.5-3.8000112.4A235 T239A235-D237 WeakPolarHBondContact CB-OD1 3.45Å; D237-T239 PolarHBondContact O-N 3.22Å; D237-T239 WeakPolarHBondContact OD1-CB 3.37Å; D237-T239 PolarHBondContact OD1-N 2.9Å; D237-T239 PolarHBondContact OD1-OG1 3.29Å
238R95Very high97.8Very high55 Ų5554.9 Ų54.921%0.20830%0.303CS..SBendtrans79.2-24.1-168.3-171.3-173.7-179-140.8-1.7115.1T30 K177 Y208T30-R238 PolarHBondContact OG1-NE 2.83Å; K177-R238 VanDerWaalsContact O-CZ 3.22Å; K177-R238 PolarHBondContact O-NH1 3.41Å; K177-R238 PolarHBondContact O-NH2 2.85Å; Y208-R238 HydrophobicContact CD2-CG 3.82Å; Y208-R238 HydrophobicContact CE2-CG 3.99Å; Y208-R238 PolarHBondContact OH-NH2 3.08Å
239T98.2Very high97.8Very high18 Ų1851.5 Ų51.511%0.1129%0.291CS..  trans-85.6169.2-175.574.10000112.9G206 F207 A235 D237G206-T239 WeakPolarHBondContact CA-OG1 3.02Å; F207-T239 CarbonylContact O-C 3.55Å; F207-T239 WeakPolarHBondContact O-CA 2.93Å; A235-T239 WeakPolarHBondContact CB-O 3.5Å; A235-T239 WeakPolarHBondContact CB-OG1 3.5Å; A235-T239 PolarHBondContact N-O 3.02Å; D237-T239 PolarHBondContact O-N 3.22Å; D237-T239 WeakPolarHBondContact OD1-CB 3.37Å; D237-T239 PolarHBondContact OD1-N 2.9Å; D237-T239 PolarHBondContact OD1-OG1 3.29Å
240F98.8Very high97.7Very high27 Ų2750.1 Ų50.112%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-118.7163.9-179.4-65.1-88.3000112.2D29 G206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.78Å; D29-F240 HydrophobicContact CB-CZ 3.79Å; G206-F240 PolarHBondContact N-O 2.88Å; F207-F240 VanDerWaalsContact CD1-O 3.3Å; F207-F240 WeakPolarHBondContact CD1-O 3.47Å; F207-F240 HydrophobicContact CD2-CB 3.91Å; F207-F240 HydrophobicContact CE1-CB 4.2Å; F207-F240 VanDerWaalsContact CE1-O 3.3Å; F207-F240 WeakPolarHBondContact CE1-O 3.36Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.44Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 3.34Å; F207-F240 PolarHBondContact O-N 2.97Å; Y208-F240 HydrophobicContact CD2-CE2 4.1Å; A210-F240 HydrophobicContact CB-CD1 3.75Å; A210-F240 HydrophobicContact CB-CD2 3.71Å; A210-F240 HydrophobicContact CB-CE1 3.67Å; A210-F240 HydrophobicContact CB-CE2 3.64Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.63Å; T232-F240 HydrophobicContact CG2-CB 3.81Å; T232-F240 HydrophobicContact CG2-CD1 3.9Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; R233-F240 CarbonylContact O-C 3.58Å; R233-F240 WeakPolarHBondContact O-CA 3.3Å; P234-F240 HydrophobicContact CB-CE1 4.36Å
241Q98.7Very high97.6Very high48 Ų4851.8 Ų51.822%0.22431%0.312CS..EExtended strand (participates in β ladder)trans-135.5145.3176.8-43.2177.515.800109.6A204 L205 R233 A235A204-Q241 WeakPolarHBondContact O-CA 3.34Å; L205-Q241 HydrophobicContact CD2-CB 3.88Å; L205-Q241 HydrophobicContact CD2-CG 3.96Å; R233-Q241 HydrophobicContact CG-CB 3.98Å; R233-Q241 PolarHBondContact N-O 3.4Å; R233-Q241 PolarHBondContact O-N 3.13Å; A235-Q241 HydrophobicContact CB-CG 4.03Å
242K98.8Very high97.6Very high22 Ų2246 Ų4610%0.09629%0.285CS..EExtended strand (participates in β ladder)trans-152.1153.8171.3-161.8-178.4-170.869.40109.3A204 F207 I212 L214 L229 V230 T232A204-K242 PolarHBondContact N-O 2.77Å; A204-K242 PolarHBondContact O-N 3.19Å; A204-K242 VanDerWaalsContact O-O 3.12Å; F207-K242 HydrophobicContact CE1-CB 4.37Å; F207-K242 HydrophobicContact CZ-CB 4.1Å; I212-K242 HydrophobicContact CG2-CB 4.31Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.33Å; L214-K242 HydrophobicContact CD2-CB 4.29Å; L214-K242 HydrophobicContact CD2-CG 4.38Å; L229-K242 HydrophobicContact CD1-CD 4.45Å; V230-K242 HydrophobicContact CG2-CG 4.46Å; V230-K242 WeakPolarHBondContact O-CE 3.45Å; V230-K242 PolarHBondContact O-NZ 3.16Å; T232-K242 WeakPolarHBondContact OG1-CD 3.11Å; T232-K242 PolarHBondContact OG1-NZ 3.16Å; T232-K242 VanDerWaalsContact OG1-NZ 3.13Å
243W98.7Very high97.5Very high26 Ų2645 Ų4510%0.09828%0.277CS..EExtended strand (participates in β ladder)trans-142.3155.3167.660.1-98.9000111.4R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.16Å; R201-W243 HydrophobicContact CG-CE3 3.97Å; R201-W243 HydrophobicContact CG-CG 4.22Å; C202-W243 CarbonylContact O-C 3.57Å; C202-W243 WeakPolarHBondContact O-CA 3.38Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.19Å; W203-W243 HydrophobicContact CD2-CB 3.95Å; W203-W243 HydrophobicContact CE3-CB 3.88Å; W203-W243 AromaticContact CE3-CD1 3.97Å; W203-W243 HydrophobicContact CE3-CG 4.26Å; W203-W243 HydrophobicContact CG-CB 4.41Å; W203-W243 AromaticContact CH2-CD1 3.57Å; W203-W243 HydrophobicContact CH2-CG 4.22Å; W203-W243 HydrophobicContact CZ2-CG 4.46Å; W203-W243 HydrophobicContact CZ3-CB 4.25Å; W203-W243 AromaticContact CZ3-CD1 3.45Å; W203-W243 VanDerWaalsContact CZ3-CD1 3.45Å; W203-W243 HydrophobicContact CZ3-CG 4.13Å; E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.33Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.31Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.62Å; V230-W243 HydrophobicContact CG1-CZ2 3.15Å; V230-W243 HydrophobicContact CG1-CZ3 4.17Å; V230-W243 HydrophobicContact CG2-CD2 3.8Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.43Å; V230-W243 WeakPolarHBondContact CG2-O 3.47Å; V230-W243 PolarHBondContact N-O 3.24Å; W243-A245 HydrophobicContact CE3-CB 3.9Å; W243-A245 HydrophobicContact CZ3-CB 3.63Å
244A98.7Very high97.5Very high0 Ų045.5 Ų45.50%028%0.283CS..EExtended strand (participates in β ladder)trans-128.5132.417400000108.4C202 L214 W216 T227 E228 L229C202-A244 PolarHBondContact N-O 2.94Å; C202-A244 PolarHBondContact O-N 2.88Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.37Å; W216-A244 PolarHBondContact NE1-O 3.23Å; T227-A244 HydrophobicContact CG2-CB 3.88Å; E228-A244 CarbonylContact O-C 3.47Å; E228-A244 WeakPolarHBondContact O-CA 3.35Å; L229-A244 HydrophobicContact CD1-CB 3.63Å
245A98.6Very high97.5Very high2 Ų245.4 Ų45.42%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-127.3145.7-179.400000112.2T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.84Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.27Å; R201-A245 HydrophobicContact CB-CB 4.14Å; R201-A245 HydrophobicContact CG-CB 4.19Å; T227-A245 CarbonylContact C-O 3.53Å; T227-A245 WeakPolarHBondContact CA-O 3.23Å; E228-A245 HydrophobicContact CB-CB 4.46Å; E228-A245 PolarHBondContact N-O 2.83Å; E228-A245 PolarHBondContact O-N 3.3Å; W243-A245 HydrophobicContact CE3-CB 3.9Å; W243-A245 HydrophobicContact CZ3-CB 3.63Å
246V98.4Very high97.5Very high4 Ų444 Ų442%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-131.1145.3173-72.40000109.2T199 L200 W216 Q223 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.47Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 2.89Å; L200-V246 PolarHBondContact O-N 3.49Å; W216-V246 HydrophobicContact CB-CG1 3.68Å; W216-V246 HydrophobicContact CB-CG2 4.36Å; W216-V246 HydrophobicContact CD2-CG1 4.44Å; W216-V246 HydrophobicContact CD2-CG2 3.66Å; W216-V246 HydrophobicContact CE3-CG2 4.08Å; W216-V246 HydrophobicContact CG-CB 4.39Å; W216-V246 HydrophobicContact CG-CG1 3.67Å; W216-V246 HydrophobicContact CG-CG2 3.79Å; W216-V246 HydrophobicContact CZ2-CG2 4.42Å; Q223-V246 HydrophobicContact CB-CG1 4.39Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.45Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V246-Y256 HydrophobicContact CG2-CD1 4.01Å; V246-Y256 HydrophobicContact CG2-CE1 4.37Å
247V98.3Very high97.7Very high74 Ų7440.5 Ų40.545%0.44822%0.22SC..EExtended strand (participates in β ladder)trans-87.6128.1168.1-178.90000107.7I193 E197 A198I193-V247 HydrophobicContact CD1-CG1 3.88Å; I193-V247 HydrophobicContact CD1-CG2 3.97Å; E197-V247 HydrophobicContact CB-CG1 3.99Å; E197-V247 HydrophobicContact CG-CG1 4.22Å; A198-V247 WeakPolarHBondContact O-CA 3.45Å
248V97.6Very high97.8Very high0 Ų035.3 Ų35.30%019%0.192CC..EExtended strand (participates in β ladder)trans-126.3145.8-175.3-51.60000110.5E197 A198 L200 V246 E253 Y256E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.15Å; A198-V248 PolarHBondContact N-O 3.35Å; A198-V248 PolarHBondContact O-N 3.06Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.05Å; L200-V248 HydrophobicContact CG-CG1 4.12Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CB-CG1 4.4Å; V246-V248 HydrophobicContact CG2-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; V248-Y256 HydrophobicContact CB-CD2 4.06Å; V248-Y256 HydrophobicContact CB-CE2 3.72Å; V248-Y256 HydrophobicContact CG1-CD1 3.76Å; V248-Y256 HydrophobicContact CG1-CD2 3.65Å; V248-Y256 HydrophobicContact CG1-CE1 3.64Å; V248-Y256 HydrophobicContact CG1-CE2 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.75Å
249P97.7Very high98Very high45 Ų4534.4 Ų34.429%0.29219%0.19SC..EExtended strand (participates in β ladder)trans-63.1140.1170.6-19.932.2000111.2H196 G251 E252H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.44Å; P249-G251 PolarHBondContact O-N 2.92Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 WeakPolarHBondContact O-CB 3.21Å; P249-E252 PolarHBondContact O-N 3.32Å
250S95.6Very high98Very high60 Ų6033.5 Ų33.542%0.4219%0.185SC..THydrogen-bonded Turntrans-59.4129.6175.9-62.10000111.2H196 E197 E253H196-S250 VanDerWaalsContact C-OG 3.24Å; H196-S250 PolarHBondContact O-N 3.33Å; H196-S250 PolarHBondContact O-OG 3.01Å; E197-S250 PolarHBondContact N-OG 2.95Å; S250-E253 WeakPolarHBondContact CA-OE1 3.33Å
251G95.4Very high98Very high67 Ų6737.2 Ų37.269%0.69120%0.203SC*.THydrogen-bonded Turntrans89.8-5.8-176.100000114.8P249 E253P249-G251 PolarHBondContact O-N 2.92Å; G251-E253 WeakPolarHBondContact CA-OE2 3.26Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.46Å; G251-E253 PolarHBondContact N-OE2 2.96Å
252E97.6Very high98Very high52 Ų5235.7 Ų35.724%0.24320%0.195CC..  trans-101.14.6176-65.9-161-16400113.8R218 P249 Q254 R255 Y256R218-E252 IonicContact CZ-OE2 2.94Å; R218-E252 IonicContact NE-OE2 2.64Å; R218-E252 IonicContact NH2-OE1 2.77Å; R218-E252 IonicContact NH2-OE2 3.22Å; R218-E252 PolarHBondContact NH2-OE2 3.08Å; P249-E252 HydrophobicContact CB-CB 4.32Å; P249-E252 HydrophobicContact CB-CG 4.08Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 WeakPolarHBondContact O-CB 3.21Å; P249-E252 PolarHBondContact O-N 3.32Å; E252-Q254 PolarHBondContact O-N 2.86Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-R255 VanDerWaalsContact CD-NH1 3.25Å; E252-R255 VanDerWaalsContact O-CB 3.31Å; E252-R255 WeakPolarHBondContact O-CB 3.43Å; E252-R255 PolarHBondContact O-N 3.09Å; E252-R255 IonicContact OE1-NH1 2.76Å; E252-R255 PolarHBondContact OE1-NH1 3Å; E252-R255 IonicContact OE2-CZ 3.44Å; E252-R255 IonicContact OE2-NE 3.53Å; E252-R255 IonicContact OE2-NH1 3.19Å; E252-R255 PolarHBondContact OE2-NH1 3.45Å; E252-Y256 HydrophobicContact CB-CE2 4.41Å; E252-Y256 WeakPolarHBondContact O-CD2 3.5Å
253E97.4Very high98Very high23 Ų2341.6 Ų41.611%0.10722%0.223CC..G310 helixtrans-57.1-35-169.5-57.981.5-179.500112.7H190 L200 V248 S250 G251 R255 Y256 W273H190-E253 IonicContact NE2-OE1 3.97Å; L200-E253 HydrophobicContact CD1-CB 4.19Å; L200-E253 HydrophobicContact CD2-CG 4.34Å; V248-E253 HydrophobicContact CG2-CG 4.03Å; S250-E253 WeakPolarHBondContact CA-OE1 3.33Å; G251-E253 WeakPolarHBondContact CA-OE2 3.26Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.46Å; G251-E253 PolarHBondContact N-OE2 2.96Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.35Å; E253-Y256 PolarHBondContact O-N 2.84Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; E253-W273 HydrophobicContact CB-CE3 3.62Å; E253-W273 HydrophobicContact CB-CZ3 4.12Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.86Å
254Q97.4Very high97.9Very high108 Ų10841.4 Ų41.451%0.50523%0.229SC..G310 helixtrans-71.9-16-179-64.1-58.4-45.300114.2E252 Y256 R272 W273E252-Q254 PolarHBondContact O-N 2.86Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-Y256 PolarHBondContact O-N 2.82Å; Q254-R272 PolarHBondContact O-NE 3.46Å; Q254-R272 VanDerWaalsContact O-NE 3.09Å; Q254-W273 PolarHBondContact NE2-O 2.89Å
255R97.9Very high97.9Very high95 Ų9542.6 Ų42.636%0.35824%0.236SC..G310 helixtrans-73.6-17.9172.5-63.7174.567.2179.25.9112.1R218 D219 E252 E253R218-R255 WeakPolarHBondContact CA-O 3.36Å; R218-R255 HydrophobicContact CG-CB 4.43Å; D219-R255 PolarHBondContact N-O 2.86Å; D219-R255 IonicContact OD1-NE 3.83Å; D219-R255 PolarHBondContact OD1-NE 2.9Å; D219-R255 IonicContact OD2-CZ 3.48Å; D219-R255 IonicContact OD2-NE 2.75Å; D219-R255 PolarHBondContact OD2-NE 2.99Å; D219-R255 IonicContact OD2-NH2 3.34Å; D219-R255 PolarHBondContact OD2-NH2 3.44Å; E252-R255 VanDerWaalsContact CD-NH1 3.25Å; E252-R255 VanDerWaalsContact O-CB 3.31Å; E252-R255 WeakPolarHBondContact O-CB 3.43Å; E252-R255 PolarHBondContact O-N 3.09Å; E252-R255 IonicContact OE1-NH1 2.76Å; E252-R255 PolarHBondContact OE1-NH1 3Å; E252-R255 IonicContact OE2-CZ 3.44Å; E252-R255 IonicContact OE2-NE 3.53Å; E252-R255 IonicContact OE2-NH1 3.19Å; E252-R255 PolarHBondContact OE2-NH1 3.45Å; E253-R255 VanDerWaalsContact C-N 3.26Å; E253-R255 PolarHBondContact O-N 3.35Å
256Y98.5Very high97.8Very high9 Ų948.9 Ų48.94%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-97.2132.1-176.8-69.4-99.6000111.5L200 Q217 R218 Q223 V246 V248 E252 E253 Q254L200-Y256 HydrophobicContact CD1-CG 4.49Å; Q217-Y256 CarbonylContact O-C 3.53Å; Q217-Y256 VanDerWaalsContact O-CA 3.23Å; Q217-Y256 WeakPolarHBondContact O-CA 3.4Å; R218-Y256 HydrophobicContact CB-CD1 4.08Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.3Å; R218-Y256 HydrophobicContact CG-CD1 4.45Å; R218-Y256 HydrophobicContact CG-CD2 4.48Å; R218-Y256 HydrophobicContact CG-CE1 4.04Å; R218-Y256 HydrophobicContact CG-CE2 4.04Å; Q223-Y256 HydrophobicContact CG-CE1 4.44Å; V246-Y256 HydrophobicContact CG2-CD1 4.01Å; V246-Y256 HydrophobicContact CG2-CE1 4.37Å; V248-Y256 HydrophobicContact CB-CD2 4.06Å; V248-Y256 HydrophobicContact CB-CE2 3.72Å; V248-Y256 HydrophobicContact CG1-CD1 3.76Å; V248-Y256 HydrophobicContact CG1-CD2 3.65Å; V248-Y256 HydrophobicContact CG1-CE1 3.64Å; V248-Y256 HydrophobicContact CG1-CE2 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.75Å; E252-Y256 HydrophobicContact CB-CE2 4.41Å; E252-Y256 WeakPolarHBondContact O-CD2 3.5Å; E253-Y256 PolarHBondContact O-N 2.84Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; Q254-Y256 PolarHBondContact O-N 2.82Å
257T98.6Very high97.8Very high7 Ų756 Ų564%0.04331%0.307CS..EExtended strand (participates in β ladder)trans-125.6132.7174.3440000111.2W216 Q217 H259 T270 L271 R272W216-T257 CarbonylContact C-O 3.57Å; W216-T257 WeakPolarHBondContact CA-O 3.43Å; Q217-T257 PolarHBondContact N-O 3.3Å; Q217-T257 PolarHBondContact O-N 2.61Å; T257-H259 WeakPolarHBondContact CB-NE2 3.47Å; T257-H259 PolarHBondContact O-CD2 2.84Å; T257-H259 PolarHBondContact OG1-NE2 3.07Å; T257-T270 HydrophobicContact CG2-CG2 3.79Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.49Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å; T257-R272 VanDerWaalsContact CG2-NH2 3.26Å
258C98.7Very high97.8Very high0 Ų056.1 Ų56.10%031%0.309CS..EExtended strand (participates in β ladder)trans-89.5131.6167.7175.60000109.8C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.49Å; C202-C258 VanDerWaalsContact CB-CB 3.49Å; C202-C258 WeakPolarHBondContact CB-SG 3.45Å; C202-C258 WeakPolarHBondContact SG-CB 3.37Å; C202-C258 CovalentContact SG-SG 2.02Å; C202-C258 PolarHBondContact SG-SG 3.11Å; T215-C258 CarbonylContact O-C 3.58Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.17Å; W216-C258 HydrophobicContact CE3-CB 4.13Å; W216-C258 HydrophobicContact CH2-CB 4Å; W216-C258 HydrophobicContact CZ2-CB 4.04Å; W216-C258 HydrophobicContact CZ3-CB 4.05Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.39Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 3.48Å; C258-L271 PolarHBondContact O-N 3.41Å
259H98.6Very high97.8Very high35 Ų3558.7 Ų58.716%0.16232%0.323CS..EExtended strand (participates in β ladder)trans-111.6130.9176.5-64.3-106.7000109.9L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 3.39Å; T215-H259 PolarHBondContact N-O 3Å; T215-H259 PolarHBondContact O-N 2.97Å; Q217-H259 PolarHBondContact OE1-CE1 2.99Å; Q217-H259 PolarHBondContact OE1-NE2 3.25Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.14Å; T257-H259 WeakPolarHBondContact CB-NE2 3.47Å; T257-H259 PolarHBondContact O-CD2 2.84Å; T257-H259 PolarHBondContact OG1-NE2 3.07Å; H259-L269 WeakPolarHBondContact CA-O 3.49Å; H259-T270 PolarHBondContact ND1-OG1 2.79Å
260V98.8Very high97.8Very high0 Ų060.4 Ų60.40%033%0.332CS..EExtended strand (participates in β ladder)trans-125.2123.8-177.9-174.10000109.8P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 3.91Å; T186-V260 HydrophobicContact CG2-CB 4.34Å; T186-V260 HydrophobicContact CG2-CG1 4.08Å; T186-V260 HydrophobicContact CG2-CG2 3.98Å; I212-V260 HydrophobicContact CD1-CG1 4.06Å; I212-V260 HydrophobicContact CG1-CG1 4.35Å; T213-V260 WeakPolarHBondContact O-CA 3.16Å; L214-V260 HydrophobicContact CD1-CG1 4.1Å; L214-V260 HydrophobicContact CG-CG2 4.34Å; V260-L265 HydrophobicContact CG1-CD1 4.22Å; V260-P268 WeakPolarHBondContact O-CA 3.11Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 2.87Å; V260-L269 PolarHBondContact O-N 2.96Å; V260-L271 HydrophobicContact CG2-CD1 3.82Å
261Q98.7Very high98Very high105 Ų10558.9 Ų58.949%0.49132%0.319SS..EExtended strand (participates in β ladder)trans-119.6131.2173.6-52.1-177.916.500109.7I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.29Å; I212-Q261 WeakPolarHBondContact CG1-O 3.3Å; T213-Q261 PolarHBondContact N-O 3.16Å; T213-Q261 PolarHBondContact O-N 2.95Å; Q261-P268 HydrophobicContact CG-CB 4.12Å; Q261-P268 HydrophobicContact CG-CG 4.16Å
262H98.6Very high98Very high16 Ų1662.2 Ų62.27%0.07431%0.311CS..  trans-156.6146.7-179.7-175.6-96.9000108.9D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.96Å; D182-H262 VanDerWaalsContact O-CE1 3.26Å; P184-H262 HydrophobicContact CG-CB 4.02Å; F207-H262 AromaticContact CD2-CD2 3.88Å; F207-H262 AromaticContact CD2-NE2 3.82Å; Y208-H262 PolarHBondContact O-CE1 2.93Å; P209-H262 PolarHBondContact O-NE2 3.44Å; E211-H262 PolarHBondContact O-CD2 2.97Å; I212-H262 HydrophobicContact CD1-CB 4.45Å; I212-H262 HydrophobicContact CG1-CB 4.18Å; H262-G264 PolarHBondContact ND1-N 2.8Å; H262-G264 PolarHBondContact O-N 3.11Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.45Å; H262-L265 PolarHBondContact O-N 3.39Å
263E97.4Very high97.8Very high145 Ų14566.7 Ų66.768%0.67833%0.326SS*.THydrogen-bonded Turntrans-60.7-30.7-178.2-176.9175.1-178.300113.2L265E263-L265 PolarHBondContact O-N 2.8Å
264G97.3Very high97.9Very high22 Ų2268.9 Ų68.923%0.22734%0.337CS..THydrogen-bonded Turntrans-72.8-8.9176.100000114.2H262H262-G264 PolarHBondContact ND1-N 2.8Å; H262-G264 PolarHBondContact O-N 3.11Å
265L98.3Very high97.9Very high26 Ų2666.8 Ų66.814%0.13633%0.328CS..  trans-94.8126.8178.4-66.3170.9000110.7P183 P184 V260 H262 E263 K267 L269P183-L265 HydrophobicContact CB-CD2 3.93Å; P183-L265 HydrophobicContact CB-CG 4.41Å; P184-L265 HydrophobicContact CG-CD1 3.91Å; P184-L265 HydrophobicContact CG-CG 4.27Å; V260-L265 HydrophobicContact CG1-CD1 4.22Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.14Å; H262-L265 WeakPolarHBondContact O-CB 3.45Å; H262-L265 PolarHBondContact O-N 3.39Å; E263-L265 PolarHBondContact O-N 2.8Å; L265-K267 PolarHBondContact O-N 3.02Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 3.78Å; L265-L269 HydrophobicContact CD2-CD2 4.47Å; L265-L269 HydrophobicContact CD2-CG 4.01Å
266P97.5Very high97.9Very high133 Ų13365.3 Ų65.386%0.86433%0.326SS*.SBendtrans-67.6-21.317727.8-35.1000113
267K97.5Very high97.8Very high155 Ų15568.6 Ų68.667%0.67434%0.343SS*.SBendtrans-151.3151.6172.261.1-179.5-179.8178.10109.3L265L265-K267 PolarHBondContact O-N 3.02Å
268P98.1Very high97.8Very high76 Ų7672.4 Ų72.449%0.49436%0.362SS..  trans-52.9144.6172.8-27.336000112.2V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.11Å; Q261-P268 HydrophobicContact CG-CB 4.12Å; Q261-P268 HydrophobicContact CG-CG 4.16Å
269L98.4Very high97.7Very high54 Ų5477.3 Ų77.328%0.28339%0.386SS..EExtended strand (participates in β ladder)trans-94.8146.9173.9-60.5178.9000110.2T186 H259 V260 L265 L271T186-L269 HydrophobicContact CG2-CD1 4.35Å; T186-L269 WeakPolarHBondContact OG1-CD1 3.46Å; H259-L269 WeakPolarHBondContact CA-O 3.49Å; V260-L269 HydrophobicContact CB-CB 4.36Å; V260-L269 PolarHBondContact N-O 2.87Å; V260-L269 PolarHBondContact O-N 2.96Å; L265-L269 HydrophobicContact CD1-CD1 4.07Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 3.78Å; L265-L269 HydrophobicContact CD2-CD2 4.47Å; L265-L269 HydrophobicContact CD2-CG 4.01Å; L269-L271 HydrophobicContact CB-CD1 4.02Å
270T98.5Very high97.7Very high80 Ų8080.3 Ų80.349%0.49140%0.402SS..EExtended strand (participates in β ladder)trans-126.2118.6171.6-57.40000107.9T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.79Å; C258-T270 CarbonylContact O-C 3.55Å; C258-T270 WeakPolarHBondContact O-CA 3.39Å; H259-T270 PolarHBondContact ND1-OG1 2.79Å
271L98.1Very high97.6Very high29 Ų2986.5 Ų86.515%0.15243%0.433CS..EExtended strand (participates in β ladder)trans-116.1148-176.9-58.8100000110.5V188 T257 C258 V260 L269V188-L271 HydrophobicContact CG2-CB 3.86Å; T257-L271 CarbonylContact C-O 3.57Å; T257-L271 VanDerWaalsContact CA-O 3.3Å; T257-L271 WeakPolarHBondContact CA-O 3.49Å; C258-L271 HydrophobicContact CB-CB 4.36Å; C258-L271 PolarHBondContact N-O 3.48Å; C258-L271 PolarHBondContact O-N 3.41Å; V260-L271 HydrophobicContact CG2-CD1 3.82Å; L269-L271 HydrophobicContact CB-CD1 4.02Å
272R96.9Very high97.5Very high136 Ų13684.9 Ų84.951%0.51343%0.428SS..  trans-125.3165.6165.8-67-170.8170.883.21.9108.3Q254 T257Q254-R272 PolarHBondContact O-NE 3.46Å; Q254-R272 VanDerWaalsContact O-NE 3.09Å; T257-R272 HydrophobicContact CG2-CG 3.61Å; T257-R272 VanDerWaalsContact CG2-NE 3.32Å; T257-R272 VanDerWaalsContact CG2-NH2 3.26Å
273W93.5Very high97.4Very high147 Ų14791.2 Ų91.256%0.55746%0.461SS*.  trans-71.50166.3174.955.3000110.9V188 H190 L200 E253 Q254V188-W273 HydrophobicContact CG1-CB 3.94Å; H190-W273 HydrophobicContact CB-CD2 3.89Å; H190-W273 VanDerWaalsContact CB-CE2 3.48Å; H190-W273 HydrophobicContact CB-CG 3.99Å; H190-W273 HydrophobicContact CB-CZ2 4Å; H190-W273 VanDerWaalsContact CB-NE1 3.34Å; H190-W273 AromaticContact CG-CE2 3.75Å; H190-W273 AromaticContact CG-CZ2 3.81Å; H190-W273 AromaticContact ND1-CZ2 3.91Å; L200-W273 HydrophobicContact CD2-CB 3.91Å; L200-W273 HydrophobicContact CD2-CG 4.18Å; E253-W273 HydrophobicContact CB-CE3 3.62Å; E253-W273 HydrophobicContact CB-CZ3 4.12Å; E253-W273 HydrophobicContact CG-CE3 3.73Å; E253-W273 HydrophobicContact CG-CZ3 3.86Å; Q254-W273 PolarHBondContact NE2-O 2.89Å

Retrieved 273 of 273 residues in 368.7 ms (Link to these results)

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