A0A060VCU4_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VCU4, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 340 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1S94Very high98.1Very high94 Ų9437.5 Ų37.566%0.65720%0.203SC*.  0155.80-59.30000107.8V102S1-V102 WeakPolarHBondContact CA-O 3.32Å; S1-V102 WeakPolarHBondContact CB-O 3.48Å
2H97.6Very high98.1Very high44 Ų4435.8 Ų35.820%0.20420%0.196CC..EExtended strand (participates in β ladder)trans-137.3160.4-178.3-65.6-77.1000110.9D28 D101 V102 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.26Å; H2-D28 IonicContact CE1-OD2 3.71Å; H2-D28 IonicContact CG-OD2 3.85Å; H2-D28 IonicContact ND1-OD1 2.83Å; H2-D28 IonicContact ND1-OD2 2.82Å; H2-D28 PolarHBondContact ND1-OD2 3.19Å; H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.04Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.46Å; H2-V102 PolarHBondContact O-N 2.71Å; H2-L167 HydrophobicContact CB-CD1 4.41Å; H2-L171 HydrophobicContact CB-CD1 3.68Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.36Å
3S98.3Very high98Very high22 Ų2238.1 Ų38.115%0.15420%0.2CC..EExtended strand (participates in β ladder)trans-136.7151.1178.966.20000111.8V27 D28 C100 D101S3-V27 CarbonylContact O-C 3.51Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; S3-D28 PolarHBondContact N-OD1 3.37Å; S3-D28 PolarHBondContact O-N 2.77Å; S3-D28 PolarHBondContact OG-OD1 3.15Å; S3-C100 WeakPolarHBondContact CA-O 3.45Å; S3-D101 WeakPolarHBondContact CB-OD1 3.23Å
4M98.8Very high97.6Very high0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans-123.4124.2166.6-175.7172.962.500108.5Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170M4-Y6 HydrophobicContact CE-CE2 4.05Å; M4-Y6 HydrophobicContact CG-CE2 4.04Å; M4-Y6 HydrophobicContact SD-CE2 3.93Å; M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.38Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; M4-F32 HydrophobicContact CG-CE1 4.39Å; M4-F32 HydrophobicContact CG-CZ 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.24Å; M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.45Å; M4-C100 PolarHBondContact N-O 2.83Å; M4-C100 PolarHBondContact O-N 3.29Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.16Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; M4-W166 HydrophobicContact CE-CB 4.04Å; M4-W166 HydrophobicContact SD-CB 4.36Å; M4-L167 HydrophobicContact CB-CB 4.08Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.29Å; M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.51Å; M4-Y170 VanDerWaalsContact SD-CE2 3.51Å
5R98.7Very high97.1Very high50 Ų5042.6 Ų42.619%0.18926%0.259CS..EExtended strand (participates in β ladder)trans-130.8135.7-177.2-56.5-62.4178.476.64.5110.8F7 G25 Y26 Y98 D101 Y112R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 4.01Å; R5-G25 CarbonylContact O-C 3.46Å; R5-G25 WeakPolarHBondContact O-CA 3.37Å; R5-Y26 PolarHBondContact N-O 3.1Å; R5-Y26 PolarHBondContact O-N 2.96Å; R5-Y98 WeakPolarHBondContact CA-O 3.24Å; R5-D101 IonicContact CZ-OD1 3.09Å; R5-D101 IonicContact NE-OD1 2.7Å; R5-D101 PolarHBondContact NE-OD1 2.93Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 3.48Å; R5-D101 PolarHBondContact NH2-OD1 2.98Å; R5-D101 IonicContact NH2-OD2 3.48Å; R5-D101 PolarHBondContact NH2-OD2 2.7Å; R5-D101 VanDerWaalsContact NH2-OD2 3.13Å; R5-Y112 PolarHBondContact NH2-OH 3.14Å
6Y98.8Very high96.8Very high10 Ų1053.3 Ų53.34%0.03929%0.293CS..EExtended strand (participates in β ladder)trans-113.6138.7170-68.2-87.9000109.6M4 Y8 V24 F32 V33 M97 Y98M4-Y6 HydrophobicContact CE-CE2 4.05Å; M4-Y6 HydrophobicContact CG-CE2 4.04Å; M4-Y6 HydrophobicContact SD-CE2 3.93Å; Y6-Y8 HydrophobicContact CD1-CE1 4.45Å; Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.44Å; Y6-F32 AromaticContact CE1-CZ 3.87Å; Y6-F32 HydrophobicContact CE1-CZ 3.87Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.06Å; Y6-V33 HydrophobicContact CE1-CG2 3.94Å; Y6-M97 WeakPolarHBondContact O-CA 3.47Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.46Å; Y6-Y98 HydrophobicContact CD2-CD2 4.29Å; Y6-Y98 AromaticContact CD2-CE2 3.44Å; Y6-Y98 HydrophobicContact CD2-CE2 3.44Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.44Å; Y6-Y98 AromaticContact CD2-CZ 3.62Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.39Å; Y6-Y98 HydrophobicContact CE2-CE2 4.22Å; Y6-Y98 HydrophobicContact CG-CE1 4.33Å; Y6-Y98 AromaticContact CG-CE2 3.98Å; Y6-Y98 HydrophobicContact CG-CE2 3.98Å; Y6-Y98 AromaticContact CG-CZ 3.68Å; Y6-Y98 PolarHBondContact N-O 3.01Å; Y6-Y98 PolarHBondContact O-N 3.33Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å
7F98.8Very high96.5Very high85 Ų8553.7 Ų53.737%0.37331%0.313SS..EExtended strand (participates in β ladder)trans-125.6120.9177.9-57.4-97.1000109.3R5 A23 V24 Y26 M96 M97R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.64Å; R5-F7 HydrophobicContact CB-CZ 4.01Å; F7-A23 WeakPolarHBondContact O-CA 3.45Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 3.03Å; F7-V24 PolarHBondContact O-N 3.41Å; F7-Y26 HydrophobicContact CD2-CD2 4.21Å; F7-Y26 HydrophobicContact CE2-CD2 4.25Å; F7-M96 CarbonylContact C-O 3.56Å; F7-M96 WeakPolarHBondContact CA-O 3.29Å; F7-M97 HydrophobicContact CD1-CB 3.9Å; F7-M97 HydrophobicContact CD1-CG 3.61Å; F7-M97 HydrophobicContact CE1-CB 4.02Å; F7-M97 HydrophobicContact CE1-CG 3.31Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.89Å
8Y98.8Very high96.4Very high15 Ų1556.6 Ų56.66%0.05932%0.322CS..EExtended strand (participates in β ladder)trans-111.8143.1176.2-56.9-15.3000109.5Y6 F21 I22 A23 Q69 Q95 M96 Y98Y6-Y8 HydrophobicContact CD1-CE1 4.45Å; Y8-F21 HydrophobicContact CD1-CZ 4.27Å; Y8-F21 HydrophobicContact CD2-CE2 4.34Å; Y8-F21 AromaticContact CD2-CZ 3.94Å; Y8-F21 HydrophobicContact CD2-CZ 3.94Å; Y8-F21 HydrophobicContact CE2-CZ 4.43Å; Y8-F21 HydrophobicContact CG-CE2 4.27Å; Y8-F21 AromaticContact CG-CZ 3.81Å; Y8-F21 HydrophobicContact CG-CZ 3.81Å; Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.39Å; Y8-A23 HydrophobicContact CD1-CB 3.25Å; Y8-A23 HydrophobicContact CE1-CB 3.42Å; Y8-A23 VanDerWaalsContact CE1-CB 3.42Å; Y8-A23 HydrophobicContact CG-CB 4.18Å; Y8-Q69 HydrophobicContact CD2-CB 4.49Å; Y8-Q69 HydrophobicContact CD2-CG 3.6Å; Y8-Q69 HydrophobicContact CE2-CB 4.24Å; Y8-Q69 HydrophobicContact CE2-CG 3.73Å; Y8-Q95 WeakPolarHBondContact O-CA 3.43Å; Y8-M96 HydrophobicContact CD2-SD 3.62Å; Y8-M96 HydrophobicContact CE2-SD 4.27Å; Y8-M96 HydrophobicContact CG-SD 4.45Å; Y8-M96 PolarHBondContact N-O 3.16Å; Y8-M96 PolarHBondContact O-N 2.93Å; Y8-Y98 HydrophobicContact CD2-CE1 4.29Å; Y8-Y98 HydrophobicContact CE1-CE1 4.23Å; Y8-Y98 AromaticContact CE2-CE1 3.69Å; Y8-Y98 HydrophobicContact CE2-CE1 3.69Å; Y8-Y98 AromaticContact CZ-CE1 3.66Å; Y8-Y98 PolarHBondContact OH-OH 2.92Å
9T98.8Very high96.4Very high43 Ų4354.8 Ų54.826%0.26431%0.313SS..EExtended strand (participates in β ladder)trans-141124.5178-58.30000109.5V11 F21 I22 T93 I94 Q95T9-V11 HydrophobicContact CG2-CG2 4.1Å; T9-F21 WeakPolarHBondContact O-CA 3.33Å; T9-I22 PolarHBondContact N-O 2.62Å; T9-I22 PolarHBondContact O-N 3.5Å; T9-T93 HydrophobicContact CG2-CG2 3.93Å; T9-I94 WeakPolarHBondContact CA-O 3.27Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å
10S98.6Very high96.5Very high2 Ų256.5 Ų56.51%0.01431%0.314CS..EExtended strand (participates in β ladder)trans-117.3120.8177.3-750000110.4R20 F21 D73 T93 I94S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.29Å; S10-F21 WeakPolarHBondContact OG-CD2 3.5Å; S10-D73 WeakPolarHBondContact CB-OD2 3.23Å; S10-D73 WeakPolarHBondContact OG-CB 3.13Å; S10-D73 VanDerWaalsContact OG-CG 3.31Å; S10-D73 PolarHBondContact OG-OD2 2.92Å; S10-T93 CarbonylContact O-C 3.5Å; S10-T93 VanDerWaalsContact O-CA 3.25Å; S10-T93 WeakPolarHBondContact O-CA 3.37Å; S10-I94 PolarHBondContact N-O 3.42Å; S10-I94 PolarHBondContact O-N 3.03Å
11V98.4Very high96.6Very high47 Ų4753.8 Ų53.829%0.28530%0.3SS..EExtended strand (participates in β ladder)trans-116.3113179.8-172.60000108.8T9 P19 R20 T93T9-V11 HydrophobicContact CG2-CG2 4.1Å; V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.35Å; V11-P19 WeakPolarHBondContact O-CB 3.36Å; V11-R20 PolarHBondContact N-O 2.81Å; V11-R20 PolarHBondContact O-N 2.9Å; V11-T93 HydrophobicContact CG2-CG2 4.12Å
12S97.7Very high96.9Very high17 Ų1751.3 Ų51.312%0.11928%0.278CS..  trans-65.2148.7173.261.40000111.2S91 H92S12-S91 PolarHBondContact O-OG 2.93Å; S12-H92 PolarHBondContact N-O 2.9Å; S12-H92 WeakPolarHBondContact OG-CA 3.32Å; S12-H92 PolarHBondContact OG-N 2.81Å; S12-H92 PolarHBondContact OG-O 2.86Å
13R96.2Very high96.9Very high66 Ų6649.3 Ų49.325%0.24927%0.269CS..  trans-135.272.1-175.2-61.9-176.6-78.4-163.1-9.1111G15 R16 E18 R20 D38R13-G15 PolarHBondContact O-N 3Å; R13-R16 HydrophobicContact CB-CB 4.08Å; R13-R16 PolarHBondContact O-N 3.33Å; R13-E18 VanDerWaalsContact CZ-O 3.26Å; R13-E18 PolarHBondContact NE-O 2.97Å; R13-E18 PolarHBondContact NH2-O 3.19Å; R13-R20 VanDerWaalsContact CZ-CB 3.48Å; R13-R20 VanDerWaalsContact NH2-CA 3.34Å; R13-D38 IonicContact CZ-OD1 3.39Å; R13-D38 IonicContact CZ-OD2 3.6Å; R13-D38 IonicContact NH1-OD1 3.41Å; R13-D38 PolarHBondContact NH1-OD1 3.05Å; R13-D38 IonicContact NH1-OD2 3.47Å; R13-D38 PolarHBondContact NH1-OD2 3.33Å; R13-D38 IonicContact NH2-OD1 3.9Å; R13-D38 PolarHBondContact NH2-OD1 2.95Å; R13-D38 IonicContact NH2-OD2 3.97Å
14P92.4Very high96.9Very high53 Ų5349.4 Ų49.434%0.34427%0.269SS..THydrogen-bonded Turntrans-49.9126-177.2-26.333.4000112.2R16 E88 G90P14-R16 PolarHBondContact O-N 2.96Å; P14-E88 WeakPolarHBondContact CB-O 3.17Å; P14-E88 WeakPolarHBondContact CG-O 3.31Å; P14-G90 WeakPolarHBondContact CG-O 3.46Å
15G90.7Very high96.9Very high91 Ų9149.4 Ų49.494%0.93827%0.269SS*.THydrogen-bonded Turntrans71.45.5-17900000116R13R13-G15 PolarHBondContact O-N 3Å
16R92.6Very high96.9Very high214 Ų21450.5 Ų50.581%0.80827%0.274SS*.SBendtrans-126.423.7-179-58.6-177.8-178.5-177.90.6113.3R13 P14R13-R16 HydrophobicContact CB-CB 4.08Å; R13-R16 PolarHBondContact O-N 3.33Å; P14-R16 PolarHBondContact O-N 2.96Å
17G91.7Very high96.9Very high60 Ų6050 Ų5062%0.61927%0.272SS*.SBendtrans95.5-158.2177.200000113.8
18E94.5Very high96.8Very high105 Ų10547.4 Ų47.449%0.49126%0.262SS..SBendtrans-68.2153.5-177.1-67.3-67.1175.200112.3R13 R20 R74R13-E18 VanDerWaalsContact CZ-O 3.26Å; R13-E18 PolarHBondContact NE-O 2.97Å; R13-E18 PolarHBondContact NH2-O 3.19Å; E18-R20 PolarHBondContact O-N 3.23Å; E18-R74 VanDerWaalsContact CD-NH1 3.35Å; E18-R74 IonicContact OE1-NH1 3.66Å; E18-R74 PolarHBondContact OE1-NH1 3.42Å; E18-R74 WeakPolarHBondContact OE2-CD 3.5Å; E18-R74 IonicContact OE2-NE 3.71Å; E18-R74 IonicContact OE2-NH1 3.65Å; E18-R74 PolarHBondContact OE2-NH1 2.89Å
19P97.1Very high96.6Very high23 Ų2349.8 Ų49.815%0.14928%0.275CS..PPolyproline II helixtrans-52.4140.4172.3-25.535000112V11 R74 L77V11-P19 CarbonylContact O-C 3.58Å; V11-P19 WeakPolarHBondContact O-CA 3.35Å; V11-P19 WeakPolarHBondContact O-CB 3.36Å; P19-R74 HydrophobicContact CG-CB 4.41Å; P19-R74 HydrophobicContact CG-CG 4.17Å; P19-L77 HydrophobicContact CB-CD1 3.6Å; P19-L77 HydrophobicContact CG-CD1 3.62Å
20R98.2Very high96.5Very high88 Ų8848.7 Ų48.733%0.33227%0.269SS..EExtended strand (participates in β ladder)trans-78.1126.4171.4-167.8174.9177.6-178.7-2.3108.4S10 V11 R13 E18 I22 D36 S37 D38S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.29Å; V11-R20 PolarHBondContact N-O 2.81Å; V11-R20 PolarHBondContact O-N 2.9Å; R13-R20 VanDerWaalsContact CZ-CB 3.48Å; R13-R20 VanDerWaalsContact NH2-CA 3.34Å; E18-R20 PolarHBondContact O-N 3.23Å; R20-I22 HydrophobicContact CG-CG1 4.3Å; R20-D36 IonicContact CZ-OD1 3.7Å; R20-D36 IonicContact CZ-OD2 2.71Å; R20-D36 IonicContact NE-OD1 3.52Å; R20-D36 PolarHBondContact NE-OD1 3.49Å; R20-D36 VanDerWaalsContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.13Å; R20-D36 IonicContact NH2-OD1 2.91Å; R20-D36 PolarHBondContact NH2-OD1 3.3Å; R20-D36 IonicContact NH2-OD2 2.72Å; R20-D36 PolarHBondContact NH2-OD2 3.43Å; R20-S37 WeakPolarHBondContact CA-OG 3.33Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.25Å; R20-D38 IonicContact NE-OD2 3.71Å; R20-D38 PolarHBondContact NE-OD2 3.44Å
21F98.7Very high96.5Very high1 Ų151 Ų510%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-111.8125.6174.3178.7-86.5000109.9Y8 T9 S10 A23 F35 S37 V66 Q69 S70Y8-F21 HydrophobicContact CD1-CZ 4.27Å; Y8-F21 HydrophobicContact CD2-CE2 4.34Å; Y8-F21 AromaticContact CD2-CZ 3.94Å; Y8-F21 HydrophobicContact CD2-CZ 3.94Å; Y8-F21 HydrophobicContact CE2-CZ 4.43Å; Y8-F21 HydrophobicContact CG-CE2 4.27Å; Y8-F21 AromaticContact CG-CZ 3.81Å; Y8-F21 HydrophobicContact CG-CZ 3.81Å; T9-F21 WeakPolarHBondContact O-CA 3.33Å; S10-F21 WeakPolarHBondContact OG-CD2 3.5Å; F21-A23 HydrophobicContact CE1-CB 3.61Å; F21-A23 HydrophobicContact CZ-CB 3.99Å; F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.99Å; F21-F35 HydrophobicContact CE1-CD1 3.99Å; F21-F35 HydrophobicContact CE1-CE1 4.37Å; F21-S37 PolarHBondContact N-OG 2.88Å; F21-S37 PolarHBondContact O-N 2.92Å; F21-S37 PolarHBondContact O-OG 3.02Å; F21-V66 HydrophobicContact CE1-CB 4.05Å; F21-Q69 HydrophobicContact CE2-CB 4.38Å; F21-Q69 HydrophobicContact CE2-CG 3.99Å; F21-Q69 HydrophobicContact CZ-CB 4.23Å; F21-Q69 HydrophobicContact CZ-CG 4.13Å; F21-S70 WeakPolarHBondContact CB-OG 3.22Å; F21-S70 VanDerWaalsContact CG-CB 3.49Å
22I98.8Very high96.5Very high42 Ų4248.8 Ų48.822%0.21527%0.266CS..EExtended strand (participates in β ladder)trans-122.8132.1174.2-57.6175.1000107.9Y8 T9 R20 V24 F35Y8-I22 CarbonylContact C-O 3.53Å; Y8-I22 WeakPolarHBondContact CA-O 3.39Å; T9-I22 PolarHBondContact N-O 2.62Å; T9-I22 PolarHBondContact O-N 3.5Å; R20-I22 HydrophobicContact CG-CG1 4.3Å; I22-V24 HydrophobicContact CG2-CG1 4.4Å; I22-F35 WeakPolarHBondContact CA-O 3.36Å
23A98.8Very high96.5Very high1 Ų148 Ų481%0.00826%0.26CS..EExtended strand (participates in β ladder)trans-124.7137.8171.500000110.4F7 Y8 F21 R34 F35 V66F7-A23 WeakPolarHBondContact O-CA 3.45Å; Y8-A23 HydrophobicContact CD1-CB 3.25Å; Y8-A23 HydrophobicContact CE1-CB 3.42Å; Y8-A23 VanDerWaalsContact CE1-CB 3.42Å; Y8-A23 HydrophobicContact CG-CB 4.18Å; F21-A23 HydrophobicContact CE1-CB 3.61Å; F21-A23 HydrophobicContact CZ-CB 3.99Å; A23-R34 CarbonylContact O-C 3.6Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.28Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.09Å; A23-F35 PolarHBondContact O-N 3.05Å; A23-V66 HydrophobicContact CB-CG1 4.17Å
24V98.9Very high96.6Very high25 Ų2548 Ų4815%0.15226%0.26CS..EExtended strand (participates in β ladder)trans-133.8146.8174-62.60000110Y6 F7 I22 Y26 Q31 V33 R34Y6-V24 CarbonylContact C-O 3.56Å; Y6-V24 WeakPolarHBondContact CA-O 3.44Å; F7-V24 HydrophobicContact CB-CG2 3.82Å; F7-V24 HydrophobicContact CD2-CG2 4.29Å; F7-V24 HydrophobicContact CG-CG2 4.5Å; F7-V24 PolarHBondContact N-O 3.03Å; F7-V24 PolarHBondContact O-N 3.41Å; I22-V24 HydrophobicContact CG2-CG1 4.4Å; V24-Y26 HydrophobicContact CB-CE2 4.05Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; V24-V33 WeakPolarHBondContact CA-O 3.35Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.2Å
25G98.7Very high96.9Very high0 Ų045.7 Ų45.70%025%0.245CC..EExtended strand (participates in β ladder)trans-125.3138.4175.900000110.6R5 Q31 F32 V33R5-G25 CarbonylContact O-C 3.46Å; R5-G25 WeakPolarHBondContact O-CA 3.37Å; G25-Q31 WeakPolarHBondContact O-CA 3.46Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.95Å; G25-V33 PolarHBondContact N-O 3.15Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 3.28Å
26Y98.6Very high97.3Very high72 Ų7242.3 Ų42.328%0.28221%0.205SC..EExtended strand (participates in β ladder)trans-125.2141.2178.7-73.7-102.1000110.5M4 R5 F7 V24 T30 Q31M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.38Å; R5-Y26 PolarHBondContact N-O 3.1Å; R5-Y26 PolarHBondContact O-N 2.96Å; F7-Y26 HydrophobicContact CD2-CD2 4.21Å; F7-Y26 HydrophobicContact CE2-CD2 4.25Å; V24-Y26 HydrophobicContact CB-CE2 4.05Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; Y26-T30 WeakPolarHBondContact CA-O 3.33Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.97Å; Y26-Q31 VanDerWaalsContact CD1-N 3.28Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.48Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.48Å; Y26-Q31 HydrophobicContact CE1-CG 4.18Å; Y26-Q31 HydrophobicContact CE2-CB 4.16Å; Y26-Q31 HydrophobicContact CE2-CG 3.93Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å
27V98.4Very high97.5Very high0 Ų032.9 Ų32.90%017%0.172CC..EExtended strand (participates in β ladder)trans-108.5119.6157.11770000106S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178S3-V27 CarbonylContact O-C 3.51Å; S3-V27 WeakPolarHBondContact O-CA 3.44Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; V27-D29 PolarHBondContact O-N 3.03Å; V27-T30 PolarHBondContact N-O 2.8Å; V27-T30 PolarHBondContact O-N 2.73Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 3.97Å; V27-W50 HydrophobicContact CB-CH2 4.43Å; V27-W50 HydrophobicContact CG2-CH2 3.94Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.3Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.46Å; V27-L171 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CB-CD1 4.24Å; V27-L178 HydrophobicContact CB-CD2 4.08Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å
28D96.6Very high97.8Very high30 Ų3033.8 Ų33.816%0.1616%0.163CC..THydrogen-bonded Turntrans48.2-122.3-165.7-53.6-40.7000110.6H2 S3H2-D28 WeakPolarHBondContact CA-OD1 3.26Å; H2-D28 IonicContact CE1-OD2 3.71Å; H2-D28 IonicContact CG-OD2 3.85Å; H2-D28 IonicContact ND1-OD1 2.83Å; H2-D28 IonicContact ND1-OD2 2.82Å; H2-D28 PolarHBondContact ND1-OD2 3.19Å; S3-D28 PolarHBondContact N-OD1 3.37Å; S3-D28 PolarHBondContact O-N 2.77Å; S3-D28 PolarHBondContact OG-OD1 3.15Å
29D95.2Very high97.9Very high65 Ų6530.2 Ų30.235%0.34815%0.151SC..THydrogen-bonded Turntrans-94.17.4-179.8-52.1-56.9000113.4V27 Y208 P209 A210 F240V27-D29 PolarHBondContact O-N 3.03Å; D29-Y208 HydrophobicContact CB-CE2 4.48Å; D29-P209 WeakPolarHBondContact OD2-CB 3.46Å; D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 VanDerWaalsContact OD2-CB 3.3Å; D29-A210 WeakPolarHBondContact OD2-CB 3.22Å; D29-A210 PolarHBondContact OD2-N 3.25Å; D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.52Å
30T96.3Very high97.9Very high21 Ų2134.6 Ų34.613%0.12919%0.189CC..EExtended strand (participates in β ladder)trans-104.9115.1-175.5-59.90000111.8Y26 V27 F32 L178 Y208Y26-T30 WeakPolarHBondContact CA-O 3.33Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 2.8Å; V27-T30 PolarHBondContact O-N 2.73Å; T30-F32 PolarHBondContact O-N 3.03Å; T30-L178 HydrophobicContact CG2-CD2 4.14Å; T30-Y208 PolarHBondContact OG1-OH 2.7Å
31Q97.4Very high97.7Very high50 Ų5032.9 Ų32.923%0.23419%0.191CC..EExtended strand (participates in β ladder)trans-68.2130.3173.7-166.3179.62.500110.4V24 G25 Y26 V33 R47V24-Q31 VanDerWaalsContact CG1-NE2 3.28Å; G25-Q31 WeakPolarHBondContact O-CA 3.46Å; Y26-Q31 HydrophobicContact CD1-CB 3.97Å; Y26-Q31 VanDerWaalsContact CD1-N 3.28Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.48Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.48Å; Y26-Q31 HydrophobicContact CE1-CG 4.18Å; Y26-Q31 HydrophobicContact CE2-CB 4.16Å; Y26-Q31 HydrophobicContact CE2-CG 3.93Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.37Å
32F98.3Very high97.6Very high0 Ų037.1 Ų37.10%021%0.211CC..EExtended strand (participates in β ladder)trans-120.7-21.818074.2-82.5000114.5M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170M4-F32 HydrophobicContact CG-CE1 4.39Å; M4-F32 HydrophobicContact CG-CZ 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.24Å; Y6-F32 AromaticContact CE1-CZ 3.87Å; Y6-F32 HydrophobicContact CE1-CZ 3.87Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.06Å; G25-F32 WeakPolarHBondContact O-CD1 3.43Å; G25-F32 PolarHBondContact O-N 2.95Å; V27-F32 HydrophobicContact CG2-CD1 3.99Å; V27-F32 HydrophobicContact CG2-CE1 3.97Å; T30-F32 PolarHBondContact O-N 3.03Å; F32-R47 PolarHBondContact O-N 3.37Å; F32-A48 HydrophobicContact CB-CB 4.17Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.1Å; F32-W50 AromaticContact CD2-CH2 3.84Å; F32-W50 HydrophobicContact CD2-CH2 3.84Å; F32-W50 HydrophobicContact CD2-CZ3 4.11Å; F32-W50 AromaticContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CH2 3.46Å; F32-W50 VanDerWaalsContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.19Å; F32-I51 HydrophobicContact CD2-CB 4.45Å; F32-I51 HydrophobicContact CD2-CD1 3.92Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.29Å; F32-I51 VanDerWaalsContact O-CG2 3.22Å; F32-I51 WeakPolarHBondContact O-CG2 3.02Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.2Å; F32-Y170 AromaticContact CE2-CE2 3.62Å; F32-Y170 HydrophobicContact CE2-CE2 3.62Å; F32-Y170 AromaticContact CE2-CZ 3.92Å; F32-Y170 HydrophobicContact CZ-CD2 4.25Å; F32-Y170 AromaticContact CZ-CE2 3.77Å; F32-Y170 HydrophobicContact CZ-CE2 3.77Å
33V98.6Very high97.6Very high1 Ų142.4 Ų42.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-141.1153.6176.4-720000112.8Y6 V24 G25 Q31 M44 E45 I51 W59Y6-V33 HydrophobicContact CE1-CG2 3.94Å; V24-V33 WeakPolarHBondContact CA-O 3.35Å; G25-V33 PolarHBondContact N-O 3.15Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 3.28Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; V33-M44 HydrophobicContact CB-CG 4.15Å; V33-M44 HydrophobicContact CB-SD 3.67Å; V33-M44 HydrophobicContact CG1-CG 4.19Å; V33-M44 HydrophobicContact CG1-SD 4.35Å; V33-M44 HydrophobicContact CG2-SD 4.11Å; V33-E45 WeakPolarHBondContact CA-O 3.09Å; V33-I51 HydrophobicContact CG1-CG1 4.31Å; V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å
34R98.6Very high97.6Very high66 Ų6642.8 Ų42.825%0.24923%0.229CC..EExtended strand (participates in β ladder)trans-145144.7172.5-179.2173.8171.597.55.7111.4A23 V24 D36 M44 E45 R47A23-R34 CarbonylContact O-C 3.6Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.28Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.2Å; R34-D36 IonicContact NH2-OD2 3.71Å; R34-D36 PolarHBondContact NH2-OD2 3.42Å; R34-M44 VanDerWaalsContact C-SD 3.57Å; R34-E45 PolarHBondContact N-O 2.9Å; R34-E45 PolarHBondContact O-N 3.48Å; R34-R47 HydrophobicContact CB-CG 3.86Å
35F98.8Very high97.5Very high5 Ų544.4 Ų44.42%0.02224%0.235CC..EExtended strand (participates in β ladder)trans-130.6144.4164.8175.9-82.6000109.6F21 I22 A23 Q42 R43 M44 V66 K67F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 AromaticContact CE1-CD1 3.99Å; F21-F35 HydrophobicContact CE1-CD1 3.99Å; F21-F35 HydrophobicContact CE1-CE1 4.37Å; I22-F35 WeakPolarHBondContact CA-O 3.36Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.09Å; A23-F35 PolarHBondContact O-N 3.05Å; F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.45Å; F35-Q42 WeakPolarHBondContact CE2-O 3.28Å; F35-Q42 HydrophobicContact CZ-CB 4.45Å; F35-R43 WeakPolarHBondContact CD2-O 3.2Å; F35-M44 HydrophobicContact CB-CE 4.38Å; F35-M44 HydrophobicContact CB-SD 4.05Å; F35-V66 HydrophobicContact CB-CG2 4.04Å; F35-V66 HydrophobicContact CD1-CG2 4.15Å; F35-V66 HydrophobicContact CD2-CG2 3.39Å; F35-V66 HydrophobicContact CE1-CG2 4.5Å; F35-V66 HydrophobicContact CE2-CG2 3.78Å; F35-V66 HydrophobicContact CG-CB 4.34Å; F35-V66 HydrophobicContact CG-CG2 3.6Å; F35-V66 HydrophobicContact CZ-CG2 4.33Å; F35-K67 HydrophobicContact CE2-CG 4.16Å; F35-K67 HydrophobicContact CZ-CG 4.04Å
36D98.6Very high97.5Very high20 Ų2046.4 Ų46.411%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-138.9122.5174.1-162.2-32.9000109R20 R34 D38 A39R20-D36 IonicContact CZ-OD1 3.7Å; R20-D36 IonicContact CZ-OD2 2.71Å; R20-D36 IonicContact NE-OD1 3.52Å; R20-D36 PolarHBondContact NE-OD1 3.49Å; R20-D36 VanDerWaalsContact NE-OD1 3.09Å; R20-D36 IonicContact NE-OD2 3.13Å; R20-D36 IonicContact NH2-OD1 2.91Å; R20-D36 PolarHBondContact NH2-OD1 3.3Å; R20-D36 IonicContact NH2-OD2 2.72Å; R20-D36 PolarHBondContact NH2-OD2 3.43Å; R34-D36 IonicContact NH2-OD2 3.71Å; R34-D36 PolarHBondContact NH2-OD2 3.42Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-D38 PolarHBondContact OD1-N 2.95Å; D36-A39 HydrophobicContact CB-CB 4.12Å; D36-A39 WeakPolarHBondContact O-CB 3.49Å; D36-A39 PolarHBondContact O-N 2.96Å; D36-A39 VanDerWaalsContact O-N 3.12Å
37S98.1Very high97.4Very high15 Ų1547.8 Ų47.811%0.10525%0.253CS..THydrogen-bonded Turntrans-63.7-23.9-179.4640000113R20 F21 Q42R20-S37 WeakPolarHBondContact CA-OG 3.33Å; F21-S37 PolarHBondContact N-OG 2.88Å; F21-S37 PolarHBondContact O-N 2.92Å; F21-S37 PolarHBondContact O-OG 3.02Å; S37-Q42 PolarHBondContact O-NE2 3.48Å
38D97.3Very high97.3Very high80 Ų8048 Ų4843%0.42826%0.256SS..THydrogen-bonded Turntrans-87.2-9179.5-69.20.9000112.4R13 R20 D36R13-D38 IonicContact CZ-OD1 3.39Å; R13-D38 IonicContact CZ-OD2 3.6Å; R13-D38 IonicContact NH1-OD1 3.41Å; R13-D38 PolarHBondContact NH1-OD1 3.05Å; R13-D38 IonicContact NH1-OD2 3.47Å; R13-D38 PolarHBondContact NH1-OD2 3.33Å; R13-D38 IonicContact NH2-OD1 3.9Å; R13-D38 PolarHBondContact NH2-OD1 2.95Å; R13-D38 IonicContact NH2-OD2 3.97Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.25Å; R20-D38 IonicContact NE-OD2 3.71Å; R20-D38 PolarHBondContact NE-OD2 3.44Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-D38 PolarHBondContact OD1-N 2.95Å
39A97.3Very high97.3Very high30 Ų3051.6 Ų51.625%0.24828%0.28CS..SBendtrans-70.8143176.100000111D36 S41 Q42D36-A39 HydrophobicContact CB-CB 4.12Å; D36-A39 WeakPolarHBondContact O-CB 3.49Å; D36-A39 PolarHBondContact O-N 2.96Å; D36-A39 VanDerWaalsContact O-N 3.12Å; A39-S41 PolarHBondContact O-N 3.42Å; A39-Q42 WeakPolarHBondContact O-CG 3.45Å; A39-Q42 PolarHBondContact O-N 3.38Å; A39-Q42 VanDerWaalsContact O-N 3.12Å
40A96.7Very high97.4Very high114 Ų11449.3 Ų49.394%0.94227%0.267SS*.THydrogen-bonded Turntrans-60.9-32.3-179.800000113.5
41S94.1Very high97.5Very high53 Ų5348.3 Ų48.337%0.37126%0.26SS..THydrogen-bonded Turntrans-70.6-34.3178.262.60000112.2A39 R43 E45A39-S41 PolarHBondContact O-N 3.42Å; S41-R43 WeakPolarHBondContact O-CG 3.18Å; S41-R43 PolarHBondContact O-N 3.03Å; S41-R43 VanDerWaalsContact O-N 3.17Å; S41-E45 PolarHBondContact OG-OE1 3.47Å
42Q96.1Very high97.4Very high90 Ų9051.8 Ų51.842%0.42128%0.277SS..  trans37.949.9-166.6-59.7-172.2-24.100111.9F35 S37 A39 K67F35-Q42 VanDerWaalsContact CE2-C 3.46Å; F35-Q42 HydrophobicContact CE2-CB 4.45Å; F35-Q42 WeakPolarHBondContact CE2-O 3.28Å; F35-Q42 HydrophobicContact CZ-CB 4.45Å; S37-Q42 PolarHBondContact O-NE2 3.48Å; A39-Q42 WeakPolarHBondContact O-CG 3.45Å; A39-Q42 PolarHBondContact O-N 3.38Å; A39-Q42 VanDerWaalsContact O-N 3.12Å; Q42-K67 WeakPolarHBondContact O-CE 3.35Å; Q42-K67 PolarHBondContact O-NZ 2.64Å
43R98Very high97.3Very high153 Ų15357.6 Ų57.658%0.57730%0.304SS*.SBendtrans-125.1156.1179.4-81.9177.4172.8156.7-0.2110.3F35 S41 E45 T63F35-R43 WeakPolarHBondContact CD2-O 3.2Å; S41-R43 WeakPolarHBondContact O-CG 3.18Å; S41-R43 PolarHBondContact O-N 3.03Å; S41-R43 VanDerWaalsContact O-N 3.17Å; R43-E45 PolarHBondContact O-N 3.49Å; R43-T63 HydrophobicContact CB-CG2 4.49Å; R43-T63 HydrophobicContact CG-CG2 4.12Å
44M98.3Very high97.3Very high8 Ų858.1 Ų58.14%0.03931%0.306CS..  trans-68.3127167-173.965.182.900108V33 R34 F35 W59 N62 T63 V66V33-M44 HydrophobicContact CB-CG 4.15Å; V33-M44 HydrophobicContact CB-SD 3.67Å; V33-M44 HydrophobicContact CG1-CG 4.19Å; V33-M44 HydrophobicContact CG1-SD 4.35Å; V33-M44 HydrophobicContact CG2-SD 4.11Å; R34-M44 VanDerWaalsContact C-SD 3.57Å; F35-M44 HydrophobicContact CB-CE 4.38Å; F35-M44 HydrophobicContact CB-SD 4.05Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.1Å; M44-W59 HydrophobicContact CG-CZ3 3.96Å; M44-N62 HydrophobicContact CB-CB 4.23Å; M44-N62 HydrophobicContact CE-CB 4.35Å; M44-N62 HydrophobicContact CG-CB 4.15Å; M44-T63 PolarHBondContact N-OG1 2.93Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.36Å; M44-V66 HydrophobicContact CE-CG2 4.21Å
45E98.3Very high97.2Very high59 Ų5956.7 Ų56.728%0.27631%0.312SS..EExtended strand (participates in β ladder)trans-117.3143-175.2-63.6176.5174.200110.9V33 R34 S41 R43 R47V33-E45 WeakPolarHBondContact CA-O 3.09Å; R34-E45 PolarHBondContact N-O 2.9Å; R34-E45 PolarHBondContact O-N 3.48Å; S41-E45 PolarHBondContact OG-OE1 3.47Å; R43-E45 PolarHBondContact O-N 3.49Å; E45-R47 IonicContact OE2-CZ 2.85Å; E45-R47 IonicContact OE2-NH1 3.75Å; E45-R47 PolarHBondContact OE2-NH1 3.44Å; E45-R47 VanDerWaalsContact OE2-NH1 3.13Å; E45-R47 IonicContact OE2-NH2 3.68Å; E45-R47 PolarHBondContact OE2-NH2 2.94Å
46P98.2Very high97.1Very high43 Ų4361.1 Ų61.128%0.27934%0.342SS..EExtended strand (participates in β ladder)trans-67.4147.4174.628.6-34.3000111.2I51 E52 W59P46-I51 HydrophobicContact CB-CG2 3.64Å; P46-E52 HydrophobicContact CB-CG 3.73Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.04Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.24Å; P46-W59 HydrophobicContact CG-CZ2 4.46Å
47R97.4Very high97.1Very high100 Ų10068.2 Ų68.238%0.37737%0.374SS..  trans-129.41.2172.6-64.9-63.7-179.1-94.52.3113.3Q31 F32 R34 E45Q31-R47 HydrophobicContact CG-CB 4.12Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; F32-R47 PolarHBondContact O-N 3.37Å; R34-R47 HydrophobicContact CB-CG 3.86Å; E45-R47 IonicContact OE2-CZ 2.85Å; E45-R47 IonicContact OE2-NH1 3.75Å; E45-R47 PolarHBondContact OE2-NH1 3.44Å; E45-R47 VanDerWaalsContact OE2-NH1 3.13Å; E45-R47 IonicContact OE2-NH2 3.68Å; E45-R47 PolarHBondContact OE2-NH2 2.94Å
48A96.3Very high97.1Very high6 Ų668 Ų685%0.0537%0.371CS..SBendtrans-139.2143.5173.300000110.7F32 W50 I51F32-A48 HydrophobicContact CB-CB 4.17Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.97Å; A48-W50 PolarHBondContact O-N 3.42Å; A48-I51 WeakPolarHBondContact O-CG2 3.29Å; A48-I51 PolarHBondContact O-N 2.91Å
49P96.3Very high97.1Very high104 Ų10466 Ų6668%0.67536%0.358SS*.G310 helixtrans-58.4-38.3-177.1-26.634.9000113.8I51 E52P49-I51 PolarHBondContact O-N 2.84Å; P49-E52 WeakPolarHBondContact O-CB 3.46Å; P49-E52 PolarHBondContact O-N 2.86Å; P49-E52 VanDerWaalsContact O-N 3.09Å
50W96.4Very high97.2Very high17 Ų1768.7 Ų68.76%0.06437%0.368CS..G310 helixtrans-68.9-13.7-176.654.1-105.1000114.5V27 F32 A48 Q53 Y170 N173 G174 L178V27-W50 HydrophobicContact CB-CH2 4.43Å; V27-W50 HydrophobicContact CG2-CH2 3.94Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.1Å; F32-W50 AromaticContact CD2-CH2 3.84Å; F32-W50 HydrophobicContact CD2-CH2 3.84Å; F32-W50 HydrophobicContact CD2-CZ3 4.11Å; F32-W50 AromaticContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CH2 3.46Å; F32-W50 VanDerWaalsContact CG-CH2 3.46Å; F32-W50 HydrophobicContact CG-CZ2 4.15Å; F32-W50 HydrophobicContact CG-CZ3 4.19Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.97Å; A48-W50 PolarHBondContact O-N 3.42Å; W50-Q53 WeakPolarHBondContact O-CG 3.34Å; W50-Q53 PolarHBondContact O-NE2 3.01Å; W50-Y170 HydrophobicContact CH2-CG 4.32Å; W50-Y170 AromaticContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD2 4.47Å; W50-Y170 AromaticContact CZ3-CG 3.76Å; W50-Y170 HydrophobicContact CZ3-CG 3.76Å; W50-N173 WeakPolarHBondContact CB-O 3.29Å; W50-G174 VanDerWaalsContact CG-CA 3.5Å; W50-L178 HydrophobicContact CD2-CD1 4.46Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.03Å; W50-L178 HydrophobicContact CZ2-CG 4.3Å
51I97.9Very high97.3Very high0 Ų068 Ų680%034%0.341CS..G310 helixtrans-89.3-19.4173.7-162.869.5000112F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170F32-I51 HydrophobicContact CD2-CB 4.45Å; F32-I51 HydrophobicContact CD2-CD1 3.92Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.29Å; F32-I51 VanDerWaalsContact O-CG2 3.22Å; F32-I51 WeakPolarHBondContact O-CG2 3.02Å; V33-I51 HydrophobicContact CG1-CG1 4.31Å; P46-I51 HydrophobicContact CB-CG2 3.64Å; A48-I51 WeakPolarHBondContact O-CG2 3.29Å; A48-I51 PolarHBondContact O-N 2.91Å; P49-I51 PolarHBondContact O-N 2.84Å; I51-Q53 PolarHBondContact O-N 2.87Å; I51-E54 HydrophobicContact CD1-CG 3.73Å; I51-E54 HydrophobicContact CG1-CG 4.29Å; I51-E54 WeakPolarHBondContact O-CB 3.47Å; I51-E54 WeakPolarHBondContact O-CG 3.45Å; I51-E54 PolarHBondContact O-N 3.15Å; I51-Y58 HydrophobicContact CD1-CE1 4.18Å; I51-Y58 HydrophobicContact CG1-CE1 4.17Å; I51-W59 HydrophobicContact CG1-CH2 3.84Å; I51-W59 HydrophobicContact CG1-CZ2 4.12Å; I51-W59 HydrophobicContact CG2-CH2 4.02Å; I51-W59 HydrophobicContact CG2-CZ2 4.43Å; I51-W59 WeakPolarHBondContact O-CZ2 3.29Å; I51-Y170 HydrophobicContact CD1-CD1 3.8Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å
52E96.8Very high97.4Very high124 Ų12466.4 Ų66.458%0.57933%0.328SS*.THydrogen-bonded Turntrans-65.2-24-175.7-64.7-178.3-172.300113.2P46 P49 E54P46-E52 HydrophobicContact CB-CG 3.73Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P49-E52 WeakPolarHBondContact O-CB 3.46Å; P49-E52 PolarHBondContact O-N 2.86Å; P49-E52 VanDerWaalsContact O-N 3.09Å; E52-E54 PolarHBondContact O-N 3.45Å
53Q95.5Very high97.6Very high122 Ų12262.8 Ų62.857%0.5731%0.312SS*.THydrogen-bonded Turntrans-70.6-11.8175.766.5-178.9-9.200114.1W50 I51 N173W50-Q53 WeakPolarHBondContact O-CG 3.34Å; W50-Q53 PolarHBondContact O-NE2 3.01Å; I51-Q53 PolarHBondContact O-N 2.87Å; Q53-N173 PolarHBondContact NE2-ND2 3.11Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.16Å; Q53-N173 PolarHBondContact NE2-OD1 3.11Å
54E97.4Very high97.6Very high12 Ų1263 Ų636%0.05631%0.313CS..SBendtrans-66.1137.4175.2-66.9-62.416500111.1I51 E52 Y58 W59 R169 N173I51-E54 HydrophobicContact CD1-CG 3.73Å; I51-E54 HydrophobicContact CG1-CG 4.29Å; I51-E54 WeakPolarHBondContact O-CB 3.47Å; I51-E54 WeakPolarHBondContact O-CG 3.45Å; I51-E54 PolarHBondContact O-N 3.15Å; E52-E54 PolarHBondContact O-N 3.45Å; E54-Y58 HydrophobicContact CB-CD1 3.52Å; E54-Y58 HydrophobicContact CB-CD2 4.46Å; E54-Y58 HydrophobicContact CB-CE1 4.16Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.03Å; E54-Y58 HydrophobicContact CG-CD2 4.38Å; E54-Y58 HydrophobicContact CG-CE1 4.25Å; E54-Y58 HydrophobicContact CG-CG 4.1Å; E54-W59 PolarHBondContact O-NE1 2.9Å; E54-R169 IonicContact OE1-CZ 3.26Å; E54-R169 IonicContact OE1-NE 2.71Å; E54-R169 PolarHBondContact OE1-NE 2.75Å; E54-R169 IonicContact OE1-NH2 3.78Å; E54-R169 PolarHBondContact OE1-NH2 2.71Å; E54-R169 IonicContact OE2-CZ 3.23Å; E54-R169 IonicContact OE2-NE 3.68Å; E54-R169 IonicContact OE2-NH2 2.75Å; E54-R169 PolarHBondContact OE2-NH2 3.02Å; E54-N173 PolarHBondContact OE1-ND2 2.79Å
55G97.1Very high97.6Very high36 Ų3666.8 Ų66.837%0.37133%0.333SS..  trans-70.6168.3-175.300000114.3E57 Y58 W59G55-E57 PolarHBondContact O-N 3.43Å; G55-E57 VanDerWaalsContact O-N 3.17Å; G55-Y58 VanDerWaalsContact O-CB 3.32Å; G55-Y58 WeakPolarHBondContact O-CB 3.43Å; G55-Y58 PolarHBondContact O-N 3.42Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 2.86Å
56P97.5Very high97.5Very high98 Ų9864 Ų6464%0.63632%0.32SS*.Hα-helixtrans-57.2-34-177.920.1-30.9000113.6Y58 W59 D60P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.01Å; P56-W59 PolarHBondContact O-N 2.88Å; P56-W59 VanDerWaalsContact O-N 3.16Å; P56-D60 WeakPolarHBondContact O-CB 3.44Å; P56-D60 PolarHBondContact O-N 2.95Å
57E97.9Very high97.6Very high168 Ų16865.8 Ų65.879%0.78532%0.324SS*.Hα-helixtrans-59.4-36.7176.3-64.6-175.9176.200112.9G55 R61G55-E57 PolarHBondContact O-N 3.43Å; G55-E57 VanDerWaalsContact O-N 3.17Å; E57-R61 WeakPolarHBondContact O-CB 3.33Å; E57-R61 PolarHBondContact O-N 3.2Å
58Y97.9Very high97.6Very high10 Ų1063.7 Ų63.74%0.03933%0.328CS..Hα-helixtrans-64.1-49.3175.6170.6-92.6000110.4I51 E54 G55 P56 R61 N62 W166 Y170I51-Y58 HydrophobicContact CD1-CE1 4.18Å; I51-Y58 HydrophobicContact CG1-CE1 4.17Å; E54-Y58 HydrophobicContact CB-CD1 3.52Å; E54-Y58 HydrophobicContact CB-CD2 4.46Å; E54-Y58 HydrophobicContact CB-CE1 4.16Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.03Å; E54-Y58 HydrophobicContact CG-CD2 4.38Å; E54-Y58 HydrophobicContact CG-CE1 4.25Å; E54-Y58 HydrophobicContact CG-CG 4.1Å; G55-Y58 VanDerWaalsContact O-CB 3.32Å; G55-Y58 WeakPolarHBondContact O-CB 3.43Å; G55-Y58 PolarHBondContact O-N 3.42Å; P56-Y58 VanDerWaalsContact C-N 3.26Å; P56-Y58 PolarHBondContact O-N 3.01Å; Y58-R61 PolarHBondContact O-N 3.36Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.35Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.46Å; Y58-N62 WeakPolarHBondContact O-CB 3.37Å; Y58-N62 PolarHBondContact O-N 2.89Å; Y58-N62 PolarHBondContact O-ND2 3.31Å; Y58-W166 AromaticContact CD2-CH2 3.72Å; Y58-W166 HydrophobicContact CD2-CH2 3.72Å; Y58-W166 HydrophobicContact CD2-CZ2 4.44Å; Y58-W166 AromaticContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CE3 4.26Å; Y58-W166 HydrophobicContact CE2-CH2 4.14Å; Y58-W166 AromaticContact CE2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CZ3 3.85Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 2.88Å
59W98.4Very high97.7Very high40 Ų4065.2 Ų65.215%0.15233%0.334CS..Hα-helixtrans-65.8-41.3-178.5-64.1110.9000112.5V33 M44 P46 I51 E54 G55 P56 T63V33-W59 HydrophobicContact CG1-CH2 4.14Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.1Å; M44-W59 HydrophobicContact CG-CZ3 3.96Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.04Å; P46-W59 HydrophobicContact CB-CZ3 4.48Å; P46-W59 HydrophobicContact CG-CH2 4.24Å; P46-W59 HydrophobicContact CG-CZ2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.84Å; I51-W59 HydrophobicContact CG1-CZ2 4.12Å; I51-W59 HydrophobicContact CG2-CH2 4.02Å; I51-W59 HydrophobicContact CG2-CZ2 4.43Å; I51-W59 WeakPolarHBondContact O-CZ2 3.29Å; E54-W59 PolarHBondContact O-NE1 2.9Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 2.86Å; P56-W59 PolarHBondContact O-N 2.88Å; P56-W59 VanDerWaalsContact O-N 3.16Å; W59-T63 VanDerWaalsContact O-CB 3.23Å; W59-T63 WeakPolarHBondContact O-CB 3.28Å; W59-T63 PolarHBondContact O-N 2.95Å; W59-T63 PolarHBondContact O-OG1 2.95Å
60D98.4Very high97.7Very high86 Ų8661.1 Ų61.146%0.4631%0.307SS..Hα-helixtrans-66.4-44.3177.3-76.6-20.5000111.6P56 T63 R64P56-D60 WeakPolarHBondContact O-CB 3.44Å; P56-D60 PolarHBondContact O-N 2.95Å; D60-T63 PolarHBondContact O-N 3.05Å; D60-R64 WeakPolarHBondContact O-CB 3.46Å; D60-R64 PolarHBondContact O-N 2.71Å
61R98.1Very high97.8Very high99 Ų9964.7 Ų64.737%0.37433%0.325SS..Hα-helixtrans-62.6-48.9176.7-175.1-175.767-162.6-3.6111.3E57 Y58 T63 R64 N65E57-R61 WeakPolarHBondContact O-CB 3.33Å; E57-R61 PolarHBondContact O-N 3.2Å; Y58-R61 PolarHBondContact O-N 3.36Å; R61-T63 PolarHBondContact O-N 3.36Å; R61-R64 PolarHBondContact O-N 2.72Å; R61-N65 PolarHBondContact O-N 3.09Å; R61-N65 PolarHBondContact O-OD1 3.44Å
62N98Very high97.8Very high20 Ų2067.8 Ų67.811%0.10734%0.344CS..Hα-helixtrans-64.9-40.1180-78.2-72.9000111.9M44 Y58 R64 N65 V66M44-N62 HydrophobicContact CB-CB 4.23Å; M44-N62 HydrophobicContact CE-CB 4.35Å; M44-N62 HydrophobicContact CG-CB 4.15Å; Y58-N62 WeakPolarHBondContact CD2-ND2 3.35Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.46Å; Y58-N62 WeakPolarHBondContact O-CB 3.37Å; Y58-N62 PolarHBondContact O-N 2.89Å; Y58-N62 PolarHBondContact O-ND2 3.31Å; N62-R64 VanDerWaalsContact C-N 3.34Å; N62-R64 PolarHBondContact O-N 2.93Å; N62-N65 PolarHBondContact O-N 3.44Å; N62-V66 WeakPolarHBondContact O-CG2 3.3Å; N62-V66 PolarHBondContact O-N 2.94Å
63T98.6Very high97.8Very high13 Ų1361.9 Ų61.98%0.0832%0.316CS..Hα-helixtrans-59.8-44.7173.8-62.80000111.4R43 M44 W59 D60 R61 N65 V66 K67R43-T63 HydrophobicContact CB-CG2 4.49Å; R43-T63 HydrophobicContact CG-CG2 4.12Å; M44-T63 PolarHBondContact N-OG1 2.93Å; W59-T63 VanDerWaalsContact O-CB 3.23Å; W59-T63 WeakPolarHBondContact O-CB 3.28Å; W59-T63 PolarHBondContact O-N 2.95Å; W59-T63 PolarHBondContact O-OG1 2.95Å; D60-T63 PolarHBondContact O-N 3.05Å; R61-T63 PolarHBondContact O-N 3.36Å; T63-N65 PolarHBondContact O-N 2.96Å; T63-V66 WeakPolarHBondContact O-CG2 3.42Å; T63-K67 HydrophobicContact CG2-CD 4.24Å; T63-K67 WeakPolarHBondContact O-CB 2.94Å; T63-K67 WeakPolarHBondContact O-CG 3.37Å; T63-K67 PolarHBondContact O-N 2.87Å
64R98.4Very high97.9Very high159 Ų15960.7 Ų60.760%0.631%0.306SS*.Hα-helixtrans-61.4-44.8177.1-170.5-174.9-58.31133.5111.4D60 R61 N62 K67 A68D60-R64 WeakPolarHBondContact O-CB 3.46Å; D60-R64 PolarHBondContact O-N 2.71Å; R61-R64 PolarHBondContact O-N 2.72Å; N62-R64 VanDerWaalsContact C-N 3.34Å; N62-R64 PolarHBondContact O-N 2.93Å; R64-K67 PolarHBondContact O-N 3.04Å; R64-A68 WeakPolarHBondContact O-CB 3.03Å; R64-A68 PolarHBondContact O-N 3.01Å
65N97.6Very high97.9Very high86 Ų8664.3 Ų64.346%0.4633%0.329SS..Hα-helixtrans-62.2-48.4-179.2-68.4-3.8000111.8R61 N62 T63 K67 A68 Q69R61-N65 PolarHBondContact O-N 3.09Å; R61-N65 PolarHBondContact O-OD1 3.44Å; N62-N65 PolarHBondContact O-N 3.44Å; T63-N65 PolarHBondContact O-N 2.96Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 3.44Å; N65-A68 PolarHBondContact O-N 3.41Å; N65-Q69 PolarHBondContact O-N 2.96Å
66V98.1Very high97.9Very high1 Ų165.4 Ų65.41%0.00633%0.327CS..Hα-helixtrans-68.9-31.2179-63.40000113F21 A23 F35 M44 N62 T63 Q69 S70F21-V66 HydrophobicContact CE1-CB 4.05Å; A23-V66 HydrophobicContact CB-CG1 4.17Å; F35-V66 HydrophobicContact CB-CG2 4.04Å; F35-V66 HydrophobicContact CD1-CG2 4.15Å; F35-V66 HydrophobicContact CD2-CG2 3.39Å; F35-V66 HydrophobicContact CE1-CG2 4.5Å; F35-V66 HydrophobicContact CE2-CG2 3.78Å; F35-V66 HydrophobicContact CG-CB 4.34Å; F35-V66 HydrophobicContact CG-CG2 3.6Å; F35-V66 HydrophobicContact CZ-CG2 4.33Å; M44-V66 HydrophobicContact CE-CB 4.4Å; M44-V66 HydrophobicContact CE-CG1 3.36Å; M44-V66 HydrophobicContact CE-CG2 4.21Å; N62-V66 WeakPolarHBondContact O-CG2 3.3Å; N62-V66 PolarHBondContact O-N 2.94Å; T63-V66 WeakPolarHBondContact O-CG2 3.42Å; V66-Q69 PolarHBondContact O-N 3.5Å; V66-S70 WeakPolarHBondContact O-CB 3.45Å; V66-S70 PolarHBondContact O-N 3.44Å
67K98.3Very high97.9Very high81 Ų8161.2 Ų61.235%0.35230%0.299SS..Hα-helixtrans-66.3-42.4171.2-76.1-173179.1-1730111.8F35 Q42 T63 R64 N65 Q69 S70 Q71F35-K67 HydrophobicContact CE2-CG 4.16Å; F35-K67 HydrophobicContact CZ-CG 4.04Å; Q42-K67 WeakPolarHBondContact O-CE 3.35Å; Q42-K67 PolarHBondContact O-NZ 2.64Å; T63-K67 HydrophobicContact CG2-CD 4.24Å; T63-K67 WeakPolarHBondContact O-CB 2.94Å; T63-K67 WeakPolarHBondContact O-CG 3.37Å; T63-K67 PolarHBondContact O-N 2.87Å; R64-K67 PolarHBondContact O-N 3.04Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 3.44Å; K67-Q69 VanDerWaalsContact C-N 3.34Å; K67-S70 PolarHBondContact O-N 2.91Å; K67-Q71 WeakPolarHBondContact O-CG 3.37Å; K67-Q71 PolarHBondContact O-N 3.29Å; K67-Q71 VanDerWaalsContact O-N 3.11Å
68A98.3Very high97.8Very high56 Ų5654.8 Ų54.846%0.46328%0.278SS..Hα-helixtrans-62.6-41.9175.300000111.6R64 N65 Q71 T72R64-A68 WeakPolarHBondContact O-CB 3.03Å; R64-A68 PolarHBondContact O-N 3.01Å; N65-A68 PolarHBondContact O-N 3.41Å; A68-Q71 PolarHBondContact O-N 2.89Å; A68-T72 PolarHBondContact O-N 2.91Å; A68-T72 PolarHBondContact O-OG1 3.49Å
69Q98.1Very high97.8Very high38 Ų3856.7 Ų56.718%0.17829%0.29CS..Hα-helixtrans-63.7-44.3174.4-171.963.955.500111.9Y8 F21 N65 V66 K67 Q71 T72 D73Y8-Q69 HydrophobicContact CD2-CB 4.49Å; Y8-Q69 HydrophobicContact CD2-CG 3.6Å; Y8-Q69 HydrophobicContact CE2-CB 4.24Å; Y8-Q69 HydrophobicContact CE2-CG 3.73Å; F21-Q69 HydrophobicContact CE2-CB 4.38Å; F21-Q69 HydrophobicContact CE2-CG 3.99Å; F21-Q69 HydrophobicContact CZ-CB 4.23Å; F21-Q69 HydrophobicContact CZ-CG 4.13Å; N65-Q69 PolarHBondContact O-N 2.96Å; V66-Q69 PolarHBondContact O-N 3.5Å; K67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-Q71 PolarHBondContact O-N 3.47Å; Q69-T72 CarbonylContact O-C 3.59Å; Q69-T72 WeakPolarHBondContact O-CA 3.39Å; Q69-T72 WeakPolarHBondContact O-CB 3.46Å; Q69-T72 PolarHBondContact O-N 3.36Å; Q69-D73 PolarHBondContact NE2-OD1 2.95Å; Q69-D73 PolarHBondContact O-N 2.89Å
70S97.9Very high97.7Very high17 Ų1755.3 Ų55.312%0.11929%0.286CS..Hα-helixtrans-56.2-37.5175.7172.60000112.8F21 V66 K67 R74F21-S70 WeakPolarHBondContact CB-OG 3.22Å; F21-S70 VanDerWaalsContact CG-CB 3.49Å; V66-S70 WeakPolarHBondContact O-CB 3.45Å; V66-S70 PolarHBondContact O-N 3.44Å; K67-S70 PolarHBondContact O-N 2.91Å; S70-R74 PolarHBondContact O-N 3.42Å; S70-R74 VanDerWaalsContact O-N 3.13Å
71Q97.9Very high97.6Very high92 Ų9254.7 Ų54.743%0.4328%0.277SS..Hα-helixtrans-71-35.7174.6-65.3-54.8-53.600112.7K67 A68 Q69 R74 V75K67-Q71 WeakPolarHBondContact O-CG 3.37Å; K67-Q71 PolarHBondContact O-N 3.29Å; K67-Q71 VanDerWaalsContact O-N 3.11Å; A68-Q71 PolarHBondContact O-N 2.89Å; Q69-Q71 PolarHBondContact O-N 3.47Å; Q71-R74 PolarHBondContact O-N 2.92Å; Q71-V75 PolarHBondContact O-N 3.48Å
72T97.8Very high97.5Very high66 Ų6652 Ų5241%0.40528%0.281SS..Hα-helixtrans-64-51.6175-55.70000110.1A68 Q69 R74 V75 D76A68-T72 PolarHBondContact O-N 2.91Å; A68-T72 PolarHBondContact O-OG1 3.49Å; Q69-T72 CarbonylContact O-C 3.59Å; Q69-T72 WeakPolarHBondContact O-CA 3.39Å; Q69-T72 WeakPolarHBondContact O-CB 3.46Å; Q69-T72 PolarHBondContact O-N 3.36Å; T72-R74 PolarHBondContact O-N 3.43Å; T72-V75 PolarHBondContact O-N 3.3Å; T72-D76 PolarHBondContact O-N 3.14Å
73D97.6Very high97.5Very high0 Ų054.2 Ų54.20%029%0.288CS..Hα-helixtrans-58.9-34.9178-74.421.4000112.5S10 Q69 V75 D76 L77S10-D73 WeakPolarHBondContact CB-OD2 3.23Å; S10-D73 WeakPolarHBondContact OG-CB 3.13Å; S10-D73 VanDerWaalsContact OG-CG 3.31Å; S10-D73 PolarHBondContact OG-OD2 2.92Å; Q69-D73 PolarHBondContact NE2-OD1 2.95Å; Q69-D73 PolarHBondContact O-N 2.89Å; D73-V75 VanDerWaalsContact C-N 3.35Å; D73-V75 PolarHBondContact O-N 3.3Å; D73-D76 PolarHBondContact O-N 2.99Å; D73-L77 WeakPolarHBondContact O-CB 3.37Å; D73-L77 VanDerWaalsContact O-CG 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.43Å; D73-L77 PolarHBondContact O-N 3.41Å
74R97.1Very high97.4Very high96 Ų9656.8 Ų56.836%0.36230%0.296SS..Hα-helixtrans-60.2-45174.3177178.269.8159.83.1111.8E18 P19 S70 Q71 T72E18-R74 VanDerWaalsContact CD-NH1 3.35Å; E18-R74 IonicContact OE1-NH1 3.66Å; E18-R74 PolarHBondContact OE1-NH1 3.42Å; E18-R74 WeakPolarHBondContact OE2-CD 3.5Å; E18-R74 IonicContact OE2-NE 3.71Å; E18-R74 IonicContact OE2-NH1 3.65Å; E18-R74 PolarHBondContact OE2-NH1 2.89Å; P19-R74 HydrophobicContact CG-CB 4.41Å; P19-R74 HydrophobicContact CG-CG 4.17Å; S70-R74 PolarHBondContact O-N 3.42Å; S70-R74 VanDerWaalsContact O-N 3.13Å; Q71-R74 PolarHBondContact O-N 2.92Å; T72-R74 PolarHBondContact O-N 3.43Å
75V97.4Very high97.3Very high89 Ų8956.4 Ų56.454%0.53931%0.307SS..Hα-helixtrans-69.5-40.1177.6176.10000110.4Q71 T72 D73 L77 G78 T79Q71-V75 PolarHBondContact O-N 3.48Å; T72-V75 PolarHBondContact O-N 3.3Å; D73-V75 VanDerWaalsContact C-N 3.35Å; D73-V75 PolarHBondContact O-N 3.3Å; V75-L77 PolarHBondContact O-N 2.98Å; V75-G78 PolarHBondContact O-N 3.23Å; V75-T79 PolarHBondContact O-N 3.35Å; V75-T79 PolarHBondContact O-OG1 3.04Å
76D97.7Very high97.2Very high59 Ų5955.2 Ų55.232%0.31630%0.298SS..Hα-helixtrans-65.8-36.9179.6-70.5-18.5000111.8T72 D73 G78 T79 L80 I94T72-D76 PolarHBondContact O-N 3.14Å; D73-D76 PolarHBondContact O-N 2.99Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.77Å; D76-T79 PolarHBondContact O-N 3.08Å; D76-T79 VanDerWaalsContact O-N 3.11Å; D76-L80 WeakPolarHBondContact O-CB 3.39Å; D76-L80 VanDerWaalsContact O-CG 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.49Å; D76-L80 PolarHBondContact O-N 3.35Å; D76-I94 HydrophobicContact CB-CD1 3.65Å
77L97.6Very high97Very high9 Ų958.9 Ų58.95%0.04732%0.324CS..Hα-helixtrans-57.1-42.1173.9-82.4164.4000111.8P19 D73 V75 R81 H92 I94 Y117P19-L77 HydrophobicContact CB-CD1 3.6Å; P19-L77 HydrophobicContact CG-CD1 3.62Å; D73-L77 WeakPolarHBondContact O-CB 3.37Å; D73-L77 VanDerWaalsContact O-CG 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.43Å; D73-L77 PolarHBondContact O-N 3.41Å; V75-L77 PolarHBondContact O-N 2.98Å; L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.41Å; L77-H92 HydrophobicContact CD2-CB 4.06Å; L77-I94 HydrophobicContact CB-CD1 4.4Å; L77-I94 HydrophobicContact CD2-CD1 4.01Å; L77-I94 HydrophobicContact CD2-CG1 3.8Å; L77-I94 HydrophobicContact CG-CD1 3.73Å; L77-I94 HydrophobicContact CG-CG1 4.07Å; L77-Y117 HydrophobicContact CD2-CE2 4.36Å
78G95.6Very high96.6Very high34 Ų3461.6 Ų61.635%0.35134%0.338SS..Hα-helixtrans-69.4-39.4175.200000112.8V75 D76 G82V75-G78 PolarHBondContact O-N 3.23Å; D76-G78 VanDerWaalsContact C-N 3.28Å; D76-G78 PolarHBondContact O-N 2.77Å; G78-G82 PolarHBondContact O-N 2.8Å
79T97Very high96.3Very high49 Ų4963.1 Ų63.130%0.30135%0.35SS..Hα-helixtrans-65.8-49.2179.3-59.50000111.7V75 D76 G82 Y83V75-T79 PolarHBondContact O-N 3.35Å; V75-T79 PolarHBondContact O-OG1 3.04Å; D76-T79 PolarHBondContact O-N 3.08Å; D76-T79 VanDerWaalsContact O-N 3.11Å; T79-G82 WeakPolarHBondContact O-CA 3.36Å; T79-G82 PolarHBondContact O-N 3.35Å; T79-G82 VanDerWaalsContact O-N 3.12Å; T79-Y83 HydrophobicContact CG2-CD1 4.43Å; T79-Y83 HydrophobicContact CG2-CD2 4.45Å; T79-Y83 HydrophobicContact CG2-CE1 3.84Å; T79-Y83 HydrophobicContact CG2-CE2 3.86Å; T79-Y83 PolarHBondContact O-N 2.03Å
80L97.5Very high96.1Very high11 Ų1162.3 Ų62.36%0.05835%0.352CS..Hα-helixtrans-63.1-43.8179.4-68.4174.3000111.1D76 G82 Y83 Y84 I94 Y117 Y122D76-L80 WeakPolarHBondContact O-CB 3.39Å; D76-L80 VanDerWaalsContact O-CG 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.49Å; D76-L80 PolarHBondContact O-N 3.35Å; L80-G82 PolarHBondContact O-N 2.81Å; L80-Y83 HydrophobicContact CD2-CD2 4.3Å; L80-Y83 PolarHBondContact O-N 2.97Å; L80-Y84 HydrophobicContact CD2-CE2 4.43Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.4Å; L80-Y84 PolarHBondContact O-N 2.88Å; L80-I94 HydrophobicContact CD1-CD1 3.59Å; L80-I94 HydrophobicContact CD1-CG1 3.71Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.8Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.47Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.47Å; L80-Y117 HydrophobicContact CD1-CE2 3.82Å; L80-Y117 HydrophobicContact CD1-CG 3.89Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; L80-Y122 HydrophobicContact CD2-CD2 4.31Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.55Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.37Å
81R96.2Very high96Very high73 Ų7365.1 Ų65.128%0.27537%0.372SS..Hα-helixtrans-53.5-41.2173.4-173.6-173.567.9-178.410.3111.7L77 N85 Q86 E88L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3.41Å; R81-N85 PolarHBondContact O-N 2.85Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.5Å; R81-Q86 PolarHBondContact O-N 3.36Å; R81-E88 IonicContact CZ-OE1 3.49Å; R81-E88 IonicContact NH1-OE1 3.25Å; R81-E88 IonicContact NH2-OE1 3.42Å; R81-E88 PolarHBondContact NH2-OE1 3.42Å
82G95.8Very high96Very high43 Ų4361.5 Ų61.544%0.44336%0.355SS..Hα-helixtrans-65.2-47.2174.500000113.1G78 T79 L80 Y84 N85G78-G82 PolarHBondContact O-N 2.8Å; T79-G82 WeakPolarHBondContact O-CA 3.36Å; T79-G82 PolarHBondContact O-N 3.35Å; T79-G82 VanDerWaalsContact O-N 3.12Å; L80-G82 PolarHBondContact O-N 2.81Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.8Å; G82-N85 PolarHBondContact O-N 3.03Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 2.86Å
83Y96.8Very high96.1Very high67 Ų6759.9 Ų59.926%0.26335%0.345SS..Hα-helixtrans-59.9-36.5178.4-68-9.1000113T79 L80 T141 K145T79-Y83 HydrophobicContact CG2-CD1 4.43Å; T79-Y83 HydrophobicContact CG2-CD2 4.45Å; T79-Y83 HydrophobicContact CG2-CE1 3.84Å; T79-Y83 HydrophobicContact CG2-CE2 3.86Å; T79-Y83 PolarHBondContact O-N 2.03Å; L80-Y83 HydrophobicContact CD2-CD2 4.3Å; L80-Y83 PolarHBondContact O-N 2.97Å; Y83-T141 HydrophobicContact CE1-CG2 4.25Å; Y83-T141 HydrophobicContact CE2-CG2 4.09Å; Y83-K145 PolarHBondContact OH-NZ 3.31Å
84Y97.1Very high96.1Very high66 Ų6660.3 Ų60.326%0.25935%0.347SS..THydrogen-bonded Turntrans-91.23.9179.2-69.4-72.6000114.1L80 G82 Q86 Y117 Y122 D136 A138L80-Y84 HydrophobicContact CD2-CE2 4.43Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.4Å; L80-Y84 PolarHBondContact O-N 2.88Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.8Å; Y84-Q86 PolarHBondContact O-N 3.3Å; Y84-Y117 AromaticContact CD2-CD1 3.73Å; Y84-Y117 HydrophobicContact CD2-CD1 3.73Å; Y84-Y117 AromaticContact CD2-CE1 3.52Å; Y84-Y117 HydrophobicContact CD2-CE1 3.52Å; Y84-Y117 AromaticContact CE2-CD1 3.53Å; Y84-Y117 HydrophobicContact CE2-CD1 3.53Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Y84-Y122 HydrophobicContact CE2-CD2 4.39Å; Y84-Y122 HydrophobicContact CE2-CE2 4.09Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.49Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.5Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 3.48Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 2.99Å; Y84-A138 HydrophobicContact CD1-CB 4.18Å; Y84-A138 HydrophobicContact CD2-CB 4.44Å; Y84-A138 HydrophobicContact CE1-CB 3.61Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å
85N95.9Very high96.2Very high152 Ų15259.6 Ų59.681%0.81335%0.348SS*.THydrogen-bonded Turntrans51.841-177.6-59.2-57000113.4R81 G82R81-N85 PolarHBondContact O-N 2.85Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 3.03Å; G82-N85 VanDerWaalsContact O-N 3.13Å; G82-N85 PolarHBondContact O-OD1 2.86Å
86Q96.3Very high96.3Very high61 Ų6155.6 Ų55.629%0.28532%0.324SS..  trans-89.7153-176.4-70.5166.5-34.300112.1R81 Y84 H92 Y117 D118R81-Q86 HydrophobicContact CG-CB 3.8Å; R81-Q86 WeakPolarHBondContact CG-O 3.5Å; R81-Q86 PolarHBondContact O-N 3.36Å; Y84-Q86 PolarHBondContact O-N 3.3Å; Q86-H92 PolarHBondContact NE2-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-CE1 3.2Å; Q86-H92 PolarHBondContact OE1-ND1 3.39Å; Q86-Y117 PolarHBondContact OE1-OH 2.95Å; Q86-D118 PolarHBondContact NE2-OD2 2.99Å
87S93.9Very high96.3Very high78 Ų7853.6 Ų53.655%0.54531%0.312SS..  trans-72.1150.8-178.872.70000113A89 G90S87-A89 PolarHBondContact O-N 2.89Å; S87-G90 PolarHBondContact O-N 2.87Å
88E90.2Very high96.4Very high138 Ų13854 Ų5465%0.64531%0.313SS*.THydrogen-bonded Turntrans-69.1-19.5177.4-54.5-156.1126.100114.6P14 R81 G90P14-E88 WeakPolarHBondContact CB-O 3.17Å; P14-E88 WeakPolarHBondContact CG-O 3.31Å; R81-E88 IonicContact CZ-OE1 3.49Å; R81-E88 IonicContact NH1-OE1 3.25Å; R81-E88 IonicContact NH2-OE1 3.42Å; R81-E88 PolarHBondContact NH2-OE1 3.42Å; E88-G90 VanDerWaalsContact C-N 3.28Å
89A91.6Very high96.5Very high88 Ų8852.3 Ų52.373%0.72730%0.297SS*.THydrogen-bonded Turntrans-77.4-14.9179.400000113.2S87S87-A89 PolarHBondContact O-N 2.89Å
90G92.8Very high96.6Very high21 Ų2150 Ų5022%0.21628%0.282CS..SBendtrans-77.9137.1-178.200000112.6P14 S87 E88 H92P14-G90 WeakPolarHBondContact CG-O 3.46Å; S87-G90 PolarHBondContact O-N 2.87Å; E88-G90 VanDerWaalsContact C-N 3.28Å; G90-H92 PolarHBondContact O-CD2 3.24Å; G90-H92 VanDerWaalsContact O-CD2 3.25Å
91S97.1Very high96.6Very high75 Ų7550.8 Ų50.852%0.52429%0.286SS..  trans-86.3118.6168.41760000109.3S12S12-S91 PolarHBondContact O-OG 2.93Å
92H98.1Very high96.8Very high16 Ų1647.3 Ų47.37%0.07427%0.273CS..  trans-110.9155.2177.6-59.6-73.9000112.7S12 L77 Q86 G90 Y117 D118S12-H92 PolarHBondContact N-O 2.9Å; S12-H92 WeakPolarHBondContact OG-CA 3.32Å; S12-H92 PolarHBondContact OG-N 2.81Å; S12-H92 PolarHBondContact OG-O 2.86Å; L77-H92 HydrophobicContact CD2-CB 4.06Å; Q86-H92 PolarHBondContact NE2-CE1 2.89Å; Q86-H92 PolarHBondContact OE1-CE1 3.2Å; Q86-H92 PolarHBondContact OE1-ND1 3.39Å; G90-H92 PolarHBondContact O-CD2 3.24Å; G90-H92 VanDerWaalsContact O-CD2 3.25Å; H92-Y117 HydrophobicContact CB-CE2 3.82Å; H92-Y117 WeakPolarHBondContact CB-OH 3.17Å; H92-Y117 AromaticContact CG-CZ 3.99Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 2.94Å; H92-D118 WeakPolarHBondContact CA-OD1 3.26Å; H92-D118 WeakPolarHBondContact CB-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 3.41Å; H92-D118 IonicContact CG-OD1 2.97Å; H92-D118 IonicContact CG-OD2 2.72Å; H92-D118 IonicContact ND1-OD1 3.75Å; H92-D118 IonicContact ND1-OD2 3.72Å; H92-D118 PolarHBondContact ND1-OD2 3.21Å
93T98.6Very high96.8Very high33 Ų3345.4 Ų45.420%0.20225%0.254CS..EExtended strand (participates in β ladder)trans-127.6130.7-177.5-52.80000111.5T9 S10 V11 Q95 Y117 D118T9-T93 HydrophobicContact CG2-CG2 3.93Å; S10-T93 CarbonylContact O-C 3.5Å; S10-T93 VanDerWaalsContact O-CA 3.25Å; S10-T93 WeakPolarHBondContact O-CA 3.37Å; V11-T93 HydrophobicContact CG2-CG2 4.12Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.49Å; T93-Y117 VanDerWaalsContact O-CD2 3.26Å; T93-Y117 WeakPolarHBondContact O-CD2 3.4Å; T93-D118 PolarHBondContact N-OD1 3.34Å; T93-D118 PolarHBondContact O-N 2.83Å
94I98.6Very high96.7Very high9 Ų948 Ų485%0.04628%0.279CS..EExtended strand (participates in β ladder)trans-105.1134.7164-64.7173.8000108.1T9 S10 D76 L77 L80 A116 Y117T9-I94 WeakPolarHBondContact CA-O 3.27Å; S10-I94 PolarHBondContact N-O 3.42Å; S10-I94 PolarHBondContact O-N 3.03Å; D76-I94 HydrophobicContact CB-CD1 3.65Å; L77-I94 HydrophobicContact CB-CD1 4.4Å; L77-I94 HydrophobicContact CD2-CD1 4.01Å; L77-I94 HydrophobicContact CD2-CG1 3.8Å; L77-I94 HydrophobicContact CG-CD1 3.73Å; L77-I94 HydrophobicContact CG-CG1 4.07Å; L80-I94 HydrophobicContact CD1-CD1 3.59Å; L80-I94 HydrophobicContact CD1-CG1 3.71Å; I94-A116 WeakPolarHBondContact CA-O 3.41Å; I94-Y117 HydrophobicContact CG1-CD2 3.86Å; I94-Y117 HydrophobicContact CG1-CE2 4.25Å
95Q98.8Very high96.6Very high80 Ų8049.1 Ų49.137%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-124.8144.2172.2-61.2173.2-93.400109.2Y8 T9 T93 D115 A116Y8-Q95 WeakPolarHBondContact O-CA 3.43Å; T9-Q95 HydrophobicContact CG2-CG 4.15Å; T93-Q95 HydrophobicContact CG2-CG 3.95Å; Q95-D115 CarbonylContact O-C 3.59Å; Q95-D115 VanDerWaalsContact O-CA 3.28Å; Q95-D115 WeakPolarHBondContact O-CA 3.45Å; Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.21Å; Q95-A116 PolarHBondContact O-N 3.01Å
96M98.4Very high96.5Very high6 Ų642.6 Ų42.63%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-140.9132.4-179.2170.1-167.8-6000109.2F7 Y8 Y98 R113 Q114F7-M96 CarbonylContact C-O 3.56Å; F7-M96 WeakPolarHBondContact CA-O 3.29Å; Y8-M96 HydrophobicContact CD2-SD 3.62Å; Y8-M96 HydrophobicContact CE2-SD 4.27Å; Y8-M96 HydrophobicContact CG-SD 4.45Å; Y8-M96 PolarHBondContact N-O 3.16Å; Y8-M96 PolarHBondContact O-N 2.93Å; M96-Y98 HydrophobicContact CG-CD1 4.37Å; M96-Y98 HydrophobicContact SD-CD1 4.31Å; M96-R113 VanDerWaalsContact CE-CZ 3.43Å; M96-R113 PolarHBondContact SD-NH1 2.97Å; M96-R113 PolarHBondContact SD-NH2 3.32Å; M96-Q114 CarbonylContact C-O 3.55Å; M96-Q114 WeakPolarHBondContact CA-O 3.49Å
97M98.7Very high96.6Very high16 Ų1647.7 Ų47.78%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-124130.9171.2-174.2-79.2-70.500109.1Y6 F7 Y112 R113 Q114Y6-M97 WeakPolarHBondContact O-CA 3.47Å; F7-M97 HydrophobicContact CD1-CB 3.9Å; F7-M97 HydrophobicContact CD1-CG 3.61Å; F7-M97 HydrophobicContact CE1-CB 4.02Å; F7-M97 HydrophobicContact CE1-CG 3.31Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.89Å; M97-Y112 HydrophobicContact CE-CD1 4.32Å; M97-Y112 HydrophobicContact CE-CG 4.2Å; M97-R113 CarbonylContact O-C 3.53Å; M97-R113 WeakPolarHBondContact O-CA 3.31Å; M97-Q114 HydrophobicContact CB-CG 3.94Å; M97-Q114 HydrophobicContact CE-CG 3.78Å; M97-Q114 PolarHBondContact N-O 3.18Å; M97-Q114 PolarHBondContact O-N 2.84Å
98Y98.8Very high96.8Very high17 Ų1747 Ų477%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-143.9159.6169.771.4-92.5000111R5 Y6 Y8 M96 Y112 W155 Y158R5-Y98 WeakPolarHBondContact CA-O 3.24Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.46Å; Y6-Y98 HydrophobicContact CD2-CD2 4.29Å; Y6-Y98 AromaticContact CD2-CE2 3.44Å; Y6-Y98 HydrophobicContact CD2-CE2 3.44Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.44Å; Y6-Y98 AromaticContact CD2-CZ 3.62Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.39Å; Y6-Y98 HydrophobicContact CE2-CE2 4.22Å; Y6-Y98 HydrophobicContact CG-CE1 4.33Å; Y6-Y98 AromaticContact CG-CE2 3.98Å; Y6-Y98 HydrophobicContact CG-CE2 3.98Å; Y6-Y98 AromaticContact CG-CZ 3.68Å; Y6-Y98 PolarHBondContact N-O 3.01Å; Y6-Y98 PolarHBondContact O-N 3.33Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å; Y8-Y98 HydrophobicContact CD2-CE1 4.29Å; Y8-Y98 HydrophobicContact CE1-CE1 4.23Å; Y8-Y98 AromaticContact CE2-CE1 3.69Å; Y8-Y98 HydrophobicContact CE2-CE1 3.69Å; Y8-Y98 AromaticContact CZ-CE1 3.66Å; Y8-Y98 PolarHBondContact OH-OH 2.92Å; M96-Y98 HydrophobicContact CG-CD1 4.37Å; M96-Y98 HydrophobicContact SD-CD1 4.31Å; Y98-Y112 WeakPolarHBondContact CA-O 3.21Å; Y98-Y112 VanDerWaalsContact CB-O 3.32Å; Y98-Y112 WeakPolarHBondContact CB-O 3.16Å; Y98-W155 HydrophobicContact CD1-CH2 4.33Å; Y98-W155 HydrophobicContact CD1-CZ3 4.46Å; Y98-W155 AromaticContact CD2-CZ3 3.91Å; Y98-W155 HydrophobicContact CD2-CZ3 3.91Å; Y98-W155 HydrophobicContact CE2-CZ3 4.45Å; Y98-W155 HydrophobicContact CG-CH2 4.24Å; Y98-W155 AromaticContact CG-CZ3 3.92Å; Y98-W155 HydrophobicContact CG-CZ3 3.92Å; Y98-Y158 AromaticContact CD2-CE1 3.85Å; Y98-Y158 HydrophobicContact CD2-CE1 3.85Å; Y98-Y158 AromaticContact CE2-CE1 3.75Å; Y98-Y158 HydrophobicContact CE2-CE1 3.75Å; Y98-Y158 AromaticContact CE2-CZ 3.98Å
99G98.6Very high97.2Very high0 Ų045.3 Ų45.30%026%0.257CS..EExtended strand (participates in β ladder)trans160-176.9178.900000113.8M4 G111 Y112 L159M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.45Å; G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.24Å; G99-Y112 PolarHBondContact N-O 3.13Å; G99-Y112 PolarHBondContact O-N 3.49Å; G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.37Å
100C98.8Very high97.5Very high0 Ų045.6 Ų45.60%024%0.239CC..EExtended strand (participates in β ladder)trans-135.6151.9-175.756.40000111.5S3 M4 F108 R110 C163 V164S3-C100 WeakPolarHBondContact CA-O 3.45Å; M4-C100 PolarHBondContact N-O 2.83Å; M4-C100 PolarHBondContact O-N 3.29Å; C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.14Å; C100-R110 CarbonylContact C-O 3.6Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.48Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.39Å; C100-C163 PolarHBondContact N-SG 3.42Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.17Å; C100-V164 HydrophobicContact CB-CG2 4.5Å
101D98.6Very high97.7Very high27 Ų2744.9 Ų44.914%0.14423%0.231CC..EExtended strand (participates in β ladder)trans-112.4142.5173-60.2-12.5000109.5H2 S3 R5 L109 R110 Y112H2-D101 CarbonylContact O-C 3.59Å; H2-D101 WeakPolarHBondContact O-CA 3.04Å; S3-D101 WeakPolarHBondContact CB-OD1 3.23Å; R5-D101 IonicContact CZ-OD1 3.09Å; R5-D101 IonicContact NE-OD1 2.7Å; R5-D101 PolarHBondContact NE-OD1 2.93Å; R5-D101 VanDerWaalsContact NH2-CG 3.32Å; R5-D101 IonicContact NH2-OD1 3.48Å; R5-D101 PolarHBondContact NH2-OD1 2.98Å; R5-D101 IonicContact NH2-OD2 3.48Å; R5-D101 PolarHBondContact NH2-OD2 2.7Å; R5-D101 VanDerWaalsContact NH2-OD2 3.13Å; D101-L109 HydrophobicContact CB-CB 4.36Å; D101-L109 PolarHBondContact O-N 2.93Å; D101-R110 HydrophobicContact CB-CB 4.39Å; D101-R110 PolarHBondContact N-O 3.01Å; D101-R110 PolarHBondContact O-N 3.29Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.41Å; D101-Y112 PolarHBondContact OD2-OH 3.29Å
102V98.5Very high97.8Very high1 Ų143.3 Ų43.31%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-124.9146.4174.9-61.70000111.4S1 H2 R107 V164 L167 L171S1-V102 WeakPolarHBondContact CA-O 3.32Å; S1-V102 WeakPolarHBondContact CB-O 3.48Å; H2-V102 HydrophobicContact CB-CG2 4.01Å; H2-V102 PolarHBondContact N-O 3.46Å; H2-V102 PolarHBondContact O-N 2.71Å; V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 2.99Å; V102-R107 WeakPolarHBondContact CB-O 3.34Å; V102-V164 HydrophobicContact CG1-CB 4.4Å; V102-V164 HydrophobicContact CG1-CG1 3.89Å; V102-V164 HydrophobicContact CG1-CG2 4.07Å; V102-L167 HydrophobicContact CB-CD2 4.34Å; V102-L167 HydrophobicContact CG1-CD2 3.93Å; V102-L167 HydrophobicContact CG2-CD2 3.63Å; V102-L167 HydrophobicContact CG2-CG 4.18Å; V102-L171 HydrophobicContact CG2-CD1 4.47Å
103G97.3Very high97.8Very high3 Ų343 Ų433%0.03121%0.213CC..  trans-72.1176.8176.400000112.3D105 G106 R107 L109G103-D105 PolarHBondContact O-N 3.31Å; G103-G106 WeakPolarHBondContact O-CA 3.39Å; G103-G106 PolarHBondContact O-N 3.07Å; G103-R107 PolarHBondContact N-O 2.89Å; G103-L109 VanDerWaalsContact CA-CD1 3.47Å
104P94.2Very high97.8Very high122 Ų12245.4 Ų45.479%0.79222%0.221SC*.THydrogen-bonded Turntrans-58.6-25.6175.3-23.334.6000113.6G106P104-G106 VanDerWaalsContact C-N 3.26Å
105D94.6Very high97.8Very high89 Ų8945.8 Ų45.848%0.47622%0.223SC..THydrogen-bonded Turntrans-87.16.5174.863.11.5000113.4G103 R107G103-D105 PolarHBondContact O-N 3.31Å; D105-R107 PolarHBondContact O-N 2.9Å; D105-R107 WeakPolarHBondContact OD1-CB 3.41Å; D105-R107 PolarHBondContact OD1-N 2.88Å; D105-R107 IonicContact OD1-NE 2.77Å; D105-R107 IonicContact OD2-CZ 3.64Å; D105-R107 IonicContact OD2-NE 3.49Å; D105-R107 PolarHBondContact OD2-NE 2.61Å; D105-R107 IonicContact OD2-NH2 3.36Å; D105-R107 PolarHBondContact OD2-NH2 3.13Å
106G94.8Very high97.8Very high14 Ų1442.8 Ų42.814%0.14421%0.212CC..SBendtrans72.24.7-178.500000114.5G103 P104 R168G103-G106 WeakPolarHBondContact O-CA 3.39Å; G103-G106 PolarHBondContact O-N 3.07Å; P104-G106 VanDerWaalsContact C-N 3.26Å; G106-R168 PolarHBondContact O-NE 3.46Å; G106-R168 PolarHBondContact O-NH2 2.93Å
107R97.4Very high97.8Very high169 Ų16943 Ų4364%0.63821%0.213SC*.  trans-75.8147.6177.4-74.3-172.2-89.6-174.1-6.1111.5V102 G103 D105 L109V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 2.99Å; V102-R107 WeakPolarHBondContact CB-O 3.34Å; G103-R107 PolarHBondContact N-O 2.89Å; D105-R107 PolarHBondContact O-N 2.9Å; D105-R107 WeakPolarHBondContact OD1-CB 3.41Å; D105-R107 PolarHBondContact OD1-N 2.88Å; D105-R107 IonicContact OD1-NE 2.77Å; D105-R107 IonicContact OD2-CZ 3.64Å; D105-R107 IonicContact OD2-NE 3.49Å; D105-R107 PolarHBondContact OD2-NE 2.61Å; D105-R107 IonicContact OD2-NH2 3.36Å; D105-R107 PolarHBondContact OD2-NH2 3.13Å; R107-L109 PolarHBondContact O-N 3.39Å
108F98.4Very high97.8Very high62 Ų6245.1 Ų45.127%0.27222%0.224SC..EExtended strand (participates in β ladder)trans-54.8130.6176.4179.9-102.6000110.9C100 R110 G111 L129 L159 E160 V164C100-F108 HydrophobicContact CB-CD2 4.42Å; C100-F108 HydrophobicContact CB-CE2 4.14Å; F108-R110 VanDerWaalsContact CE2-C 3.42Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.45Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å; F108-L129 HydrophobicContact CE1-CD1 4.13Å; F108-L129 HydrophobicContact CZ-CD1 3.77Å; F108-L159 WeakPolarHBondContact CE2-O 3.25Å; F108-E160 HydrophobicContact CD1-CG 4.16Å; F108-E160 HydrophobicContact CE1-CG 3.91Å; F108-E160 HydrophobicContact CE2-CG 4.41Å; F108-E160 HydrophobicContact CZ-CG 4.05Å; F108-V164 HydrophobicContact CB-CG2 4.01Å; F108-V164 HydrophobicContact CD2-CG2 3.64Å; F108-V164 HydrophobicContact CG-CG2 4.3Å
109L97.9Very high97.7Very high104 Ų10447 Ų4755%0.54525%0.249SC..EExtended strand (participates in β ladder)trans-110.9-48.6173.8-68.5-179000111.7D101 G103 R107D101-L109 HydrophobicContact CB-CB 4.36Å; D101-L109 PolarHBondContact O-N 2.93Å; G103-L109 VanDerWaalsContact CA-CD1 3.47Å; R107-L109 PolarHBondContact O-N 3.39Å
110R97.9Very high97.7Very high94 Ų9454.7 Ų54.736%0.35528%0.283SS..EExtended strand (participates in β ladder)trans-156.5148.2-171.7-171.6162.3168.9145.45.3111.3C100 D101 F108 Y112 E127C100-R110 CarbonylContact C-O 3.6Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.48Å; D101-R110 HydrophobicContact CB-CB 4.39Å; D101-R110 PolarHBondContact N-O 3.01Å; D101-R110 PolarHBondContact O-N 3.29Å; F108-R110 VanDerWaalsContact CE2-C 3.42Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.45Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 WeakPolarHBondContact CD-OH 3.46Å; R110-Y112 HydrophobicContact CG-CE1 4.1Å; R110-Y112 HydrophobicContact CG-CE2 3.81Å; R110-Y112 PolarHBondContact NE-OH 3.22Å; R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 IonicContact CZ-OE1 2.81Å; R110-E127 IonicContact NH1-OE1 3.65Å; R110-E127 PolarHBondContact NH1-OE1 3.3Å; R110-E127 IonicContact NH1-OE2 2.81Å; R110-E127 VanDerWaalsContact NH2-CD 3.33Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 3.28Å; R110-E127 PolarHBondContact NH2-OE1 3.28Å
111G98.3Very high97.7Very high6 Ų660.8 Ų60.86%0.06232%0.315CS..EExtended strand (participates in β ladder)trans-123.1151.417500000110.4G99 F108G99-G111 CarbonylContact O-C 3.6Å; G99-G111 WeakPolarHBondContact O-CA 3.24Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å
112Y98.3Very high97.7Very high42 Ų4260 Ų6017%0.16531%0.311CS..EExtended strand (participates in β ladder)trans-134141.4-178.5-52.3-96.8000109.8R5 M97 Y98 G99 D101 R110R5-Y112 PolarHBondContact NH2-OH 3.14Å; M97-Y112 HydrophobicContact CE-CD1 4.32Å; M97-Y112 HydrophobicContact CE-CG 4.2Å; Y98-Y112 WeakPolarHBondContact CA-O 3.21Å; Y98-Y112 VanDerWaalsContact CB-O 3.32Å; Y98-Y112 WeakPolarHBondContact CB-O 3.16Å; G99-Y112 PolarHBondContact N-O 3.13Å; G99-Y112 PolarHBondContact O-N 3.49Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.41Å; D101-Y112 PolarHBondContact OD2-OH 3.29Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 WeakPolarHBondContact CD-OH 3.46Å; R110-Y112 HydrophobicContact CG-CE1 4.1Å; R110-Y112 HydrophobicContact CG-CE2 3.81Å; R110-Y112 PolarHBondContact NE-OH 3.22Å
113R98.3Very high97.7Very high10 Ų1060.1 Ų60.14%0.03831%0.311CS..EExtended strand (participates in β ladder)trans-152.8113164.2170.359.3-168.4-136.1-6.2107.7M96 M97 D115 A124 L125 W132 W155M96-R113 VanDerWaalsContact CE-CZ 3.43Å; M96-R113 PolarHBondContact SD-NH1 2.97Å; M96-R113 PolarHBondContact SD-NH2 3.32Å; M97-R113 CarbonylContact O-C 3.53Å; M97-R113 WeakPolarHBondContact O-CA 3.31Å; R113-D115 IonicContact CZ-OD1 3.43Å; R113-D115 VanDerWaalsContact CZ-OD1 3.26Å; R113-D115 IonicContact CZ-OD2 2.74Å; R113-D115 IonicContact NE-OD1 2.81Å; R113-D115 PolarHBondContact NE-OD1 3.19Å; R113-D115 IonicContact NE-OD2 2.67Å; R113-D115 IonicContact NH2-OD1 3.99Å; R113-D115 PolarHBondContact NH2-OD1 3.43Å; R113-D115 IonicContact NH2-OD2 3.09Å; R113-D115 PolarHBondContact NH2-OD2 2.9Å; R113-A124 WeakPolarHBondContact O-CA 3.37Å; R113-L125 HydrophobicContact CB-CB 3.92Å; R113-L125 HydrophobicContact CB-CD2 4.19Å; R113-L125 PolarHBondContact O-N 2.83Å; R113-W132 HydrophobicContact CG-CH2 4Å; R113-W132 HydrophobicContact CG-CZ3 4.02Å; R113-W155 HydrophobicContact CB-CD2 4.48Å; R113-W155 HydrophobicContact CG-CD2 4.14Å; R113-W155 HydrophobicContact CG-CG 4.42Å
114Q98.4Very high97.8Very high82 Ų8261.5 Ų61.538%0.38332%0.322SS..EExtended strand (participates in β ladder)trans-143.4137.5-178.263-168.849.500110.7M96 M97 I123 A124M96-Q114 CarbonylContact C-O 3.55Å; M96-Q114 WeakPolarHBondContact CA-O 3.49Å; M97-Q114 HydrophobicContact CB-CG 3.94Å; M97-Q114 HydrophobicContact CE-CG 3.78Å; M97-Q114 PolarHBondContact N-O 3.18Å; M97-Q114 PolarHBondContact O-N 2.84Å; Q114-I123 WeakPolarHBondContact CA-O 2.85Å; Q114-A124 HydrophobicContact CB-CB 3.98Å
115D98.6Very high98Very high17 Ų1756.5 Ų56.59%0.09129%0.288CS..EExtended strand (participates in β ladder)trans-123141.8-176.9-56.413.7000108Q95 R113 Y122 I123Q95-D115 CarbonylContact O-C 3.59Å; Q95-D115 VanDerWaalsContact O-CA 3.28Å; Q95-D115 WeakPolarHBondContact O-CA 3.45Å; R113-D115 IonicContact CZ-OD1 3.43Å; R113-D115 VanDerWaalsContact CZ-OD1 3.26Å; R113-D115 IonicContact CZ-OD2 2.74Å; R113-D115 IonicContact NE-OD1 2.81Å; R113-D115 PolarHBondContact NE-OD1 3.19Å; R113-D115 IonicContact NE-OD2 2.67Å; R113-D115 IonicContact NH2-OD1 3.99Å; R113-D115 PolarHBondContact NH2-OD1 3.43Å; R113-D115 IonicContact NH2-OD2 3.09Å; R113-D115 PolarHBondContact NH2-OD2 2.9Å; D115-Y122 WeakPolarHBondContact O-CA 3.17Å; D115-Y122 WeakPolarHBondContact O-CB 3.49Å; D115-Y122 PolarHBondContact O-N 2.82Å; D115-I123 HydrophobicContact CB-CG2 4.11Å; D115-I123 PolarHBondContact N-O 3.13Å; D115-I123 PolarHBondContact O-N 2.85Å; D115-I123 VanDerWaalsContact O-N 3.16Å
116A98.8Very high98.2Very high17 Ų1756.4 Ų56.414%0.1428%0.284CS..EExtended strand (participates in β ladder)trans-130148.7179.500000110.3I94 Q95 K120I94-A116 WeakPolarHBondContact CA-O 3.41Å; Q95-A116 HydrophobicContact CB-CB 4.29Å; Q95-A116 PolarHBondContact N-O 3.21Å; Q95-A116 PolarHBondContact O-N 3.01Å; A116-K120 CarbonylContact C-O 3.51Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 WeakPolarHBondContact CB-O 3.25Å
117Y98.6Very high98.3Very high11 Ų1162.2 Ų62.24%0.04331%0.307CS..EExtended strand (participates in β ladder)trans-128.2127.9179.1-174-120.1000110.2L77 L80 Y84 Q86 H92 T93 I94 G119 K120L77-Y117 HydrophobicContact CD2-CE2 4.36Å; L80-Y117 HydrophobicContact CB-CD1 4.41Å; L80-Y117 HydrophobicContact CB-CD2 4.19Å; L80-Y117 HydrophobicContact CB-CE1 4.04Å; L80-Y117 HydrophobicContact CB-CE2 3.8Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.47Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.47Å; L80-Y117 HydrophobicContact CD1-CE2 3.82Å; L80-Y117 HydrophobicContact CD1-CG 3.89Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; Y84-Y117 AromaticContact CD2-CD1 3.73Å; Y84-Y117 HydrophobicContact CD2-CD1 3.73Å; Y84-Y117 AromaticContact CD2-CE1 3.52Å; Y84-Y117 HydrophobicContact CD2-CE1 3.52Å; Y84-Y117 AromaticContact CE2-CD1 3.53Å; Y84-Y117 HydrophobicContact CE2-CD1 3.53Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CG-CE1 4.4Å; Q86-Y117 PolarHBondContact OE1-OH 2.95Å; H92-Y117 HydrophobicContact CB-CE2 3.82Å; H92-Y117 WeakPolarHBondContact CB-OH 3.17Å; H92-Y117 AromaticContact CG-CZ 3.99Å; H92-Y117 AromaticContact ND1-CZ 3.93Å; H92-Y117 PolarHBondContact ND1-OH 2.94Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.49Å; T93-Y117 VanDerWaalsContact O-CD2 3.26Å; T93-Y117 WeakPolarHBondContact O-CD2 3.4Å; I94-Y117 HydrophobicContact CG1-CD2 3.86Å; I94-Y117 HydrophobicContact CG1-CE2 4.25Å; Y117-G119 PolarHBondContact O-N 3.3Å; Y117-K120 PolarHBondContact N-O 3.39Å; Y117-K120 PolarHBondContact O-N 3.46Å
118D98.1Very high98.3Very high60 Ų6057.8 Ų57.832%0.32130%0.296SS..THydrogen-bonded Turntrans49.440.1-175.6-67.2-20.8000113.3Q86 H92 T93 K120Q86-D118 PolarHBondContact NE2-OD2 2.99Å; H92-D118 WeakPolarHBondContact CA-OD1 3.26Å; H92-D118 WeakPolarHBondContact CB-OD1 3.49Å; H92-D118 IonicContact CE1-OD2 3.41Å; H92-D118 IonicContact CG-OD1 2.97Å; H92-D118 IonicContact CG-OD2 2.72Å; H92-D118 IonicContact ND1-OD1 3.75Å; H92-D118 IonicContact ND1-OD2 3.72Å; H92-D118 PolarHBondContact ND1-OD2 3.21Å; T93-D118 PolarHBondContact N-OD1 3.34Å; T93-D118 PolarHBondContact O-N 2.83Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 3.44Å
119G97.4Very high98.3Very high57 Ų5755 Ų5559%0.58828%0.284SS*.THydrogen-bonded Turntrans76.88178.100000115.2Y117Y117-G119 PolarHBondContact O-N 3.3Å
120K98.4Very high98.2Very high161 Ų16158 Ų5870%0.729%0.288SS*.EExtended strand (participates in β ladder)trans-113.6145.5176.3-61.1-179.8-176.1176.60110.6A116 Y117 D118 Y122A116-K120 CarbonylContact C-O 3.51Å; A116-K120 WeakPolarHBondContact CA-O 3.37Å; A116-K120 WeakPolarHBondContact CB-O 3.25Å; Y117-K120 PolarHBondContact N-O 3.39Å; Y117-K120 PolarHBondContact O-N 3.46Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 3.44Å; K120-Y122 PolarHBondContact O-N 2.82Å
121D98.6Very high98.2Very high129 Ų12954.9 Ų54.969%0.6928%0.281SS*.EExtended strand (participates in β ladder)trans-52.7135.8173.4-67.6-24.8000110.4A135D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.23Å
122Y98.7Very high98.2Very high11 Ų1154.7 Ų54.74%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-114.7-63.4178.4-179.5-109.4000110.5L80 Y84 D115 K120 A135 A138 A139 T142L80-Y122 HydrophobicContact CD2-CD2 4.31Å; L80-Y122 HydrophobicContact CD2-CE1 3.83Å; L80-Y122 HydrophobicContact CD2-CE2 3.55Å; L80-Y122 VanDerWaalsContact CD2-OH 3.27Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.39Å; Y84-Y122 HydrophobicContact CE2-CE2 4.09Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.49Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.5Å; D115-Y122 WeakPolarHBondContact O-CA 3.17Å; D115-Y122 WeakPolarHBondContact O-CB 3.49Å; D115-Y122 PolarHBondContact O-N 2.82Å; K120-Y122 PolarHBondContact O-N 2.82Å; Y122-A135 WeakPolarHBondContact O-CB 3.49Å; Y122-A135 PolarHBondContact O-N 3.34Å; Y122-A138 PolarHBondContact OH-O 3.32Å; Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.46Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.4Å; Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 WeakPolarHBondContact OH-CB 3.39Å; Y122-T142 PolarHBondContact OH-OG1 3.46Å
123I98.7Very high98.2Very high3 Ų356.2 Ų56.22%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-147.7140.7178.9-162.6173.7000111Q114 D115 W132 T133 T142 K143 W146Q114-I123 WeakPolarHBondContact CA-O 2.85Å; D115-I123 HydrophobicContact CB-CG2 4.11Å; D115-I123 PolarHBondContact N-O 3.13Å; D115-I123 PolarHBondContact O-N 2.85Å; D115-I123 VanDerWaalsContact O-N 3.16Å; I123-W132 HydrophobicContact CD1-CB 4.15Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.38Å; I123-W132 HydrophobicContact CG1-CB 4.23Å; I123-W132 HydrophobicContact CG1-CE3 4.07Å; I123-T133 CarbonylContact C-O 3.52Å; I123-T133 WeakPolarHBondContact CA-O 3.49Å; I123-T133 WeakPolarHBondContact CG1-O 3.21Å; I123-T142 HydrophobicContact CD1-CG2 4.05Å; I123-K143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.05Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.85Å
124A98.8Very high98.2Very high32 Ų3256.5 Ų56.526%0.26430%0.297SS..EExtended strand (participates in β ladder)trans-136.4137.7179.600000112R113 Q114 W132 T133R113-A124 WeakPolarHBondContact O-CA 3.37Å; Q114-A124 HydrophobicContact CB-CB 3.98Å; A124-W132 WeakPolarHBondContact O-CA 3.34Å; A124-T133 PolarHBondContact N-O 3.43Å; A124-T133 PolarHBondContact O-N 3.18Å
125L98.8Very high98.2Very high16 Ų1655.4 Ų55.48%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-71.3129170.1-173.764.2000108.5R113 L129 W132 A152 W155 L159R113-L125 HydrophobicContact CB-CB 3.92Å; R113-L125 HydrophobicContact CB-CD2 4.19Å; R113-L125 PolarHBondContact O-N 2.83Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.69Å; L125-L129 HydrophobicContact CG-CD2 4.2Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4.04Å; L125-W132 HydrophobicContact CB-CZ3 3.62Å; L125-W132 HydrophobicContact CD1-CD2 4.1Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.88Å; 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 3.98Å; L125-W155 HydrophobicContact CD2-CB 4.05Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å
126K98.4Very high98.2Very high87 Ų8757.3 Ų57.338%0.37831%0.312SS..  trans-72.4165.4178.3-63.8-164.1-155.4161.60111.4D128 L129 S131 T133K126-D128 PolarHBondContact O-N 3.31Å; K126-D128 VanDerWaalsContact O-N 3.1Å; K126-L129 PolarHBondContact O-N 3.3Å; K126-S131 WeakPolarHBondContact CB-O 3.22Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.43Å; K126-S131 WeakPolarHBondContact CE-OG 3.41Å; K126-S131 WeakPolarHBondContact CG-O 3.44Å; K126-S131 PolarHBondContact N-O 2.96Å; K126-S131 PolarHBondContact NZ-OG 2.75Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.36Å; K126-T133 WeakPolarHBondContact CG-OG1 3.18Å
127E97.4Very high98.1Very high136 Ų13663.9 Ų63.964%0.63634%0.341SS*.THydrogen-bonded Turntrans-58.2-23.7177.7-63.1-177.1-172.800113.6R110 L129R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 IonicContact CZ-OE1 2.81Å; R110-E127 IonicContact NH1-OE1 3.65Å; R110-E127 PolarHBondContact NH1-OE1 3.3Å; R110-E127 IonicContact NH1-OE2 2.81Å; R110-E127 VanDerWaalsContact NH2-CD 3.33Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 3.28Å; R110-E127 PolarHBondContact NH2-OE1 3.28Å; E127-L129 PolarHBondContact O-N 2.85Å
128D97.1Very high98Very high76 Ų7664 Ų6441%0.40634%0.344SS..THydrogen-bonded Turntrans-70.8-10.9174.867.413000114K126 R130 S131K126-D128 PolarHBondContact O-N 3.31Å; K126-D128 VanDerWaalsContact O-N 3.1Å; D128-R130 WeakPolarHBondContact O-CG 3.43Å; D128-R130 PolarHBondContact O-N 3.25Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3Å; D128-S131 PolarHBondContact OD1-N 2.62Å; D128-S131 PolarHBondContact OD1-OG 3.16Å; D128-S131 PolarHBondContact OD2-OG 2.75Å
129L98.1Very high98Very high4 Ų461.1 Ų61.12%0.02133%0.329CS..SBendtrans5326.7-174.4-52.5179.3000114.1F108 L125 K126 E127 R156 L159 E160F108-L129 HydrophobicContact CE1-CD1 4.13Å; F108-L129 HydrophobicContact CZ-CD1 3.77Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.69Å; L125-L129 HydrophobicContact CG-CD2 4.2Å; K126-L129 PolarHBondContact O-N 3.3Å; E127-L129 PolarHBondContact O-N 2.85Å; L129-R156 HydrophobicContact CB-CB 4.04Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.1Å; L129-L159 HydrophobicContact CD2-CD1 4.06Å; L129-E160 HydrophobicContact CD1-CG 3.96Å
130R97.4Very high98Very high168 Ų16861.1 Ų61.163%0.63431%0.314SS*.SBendtrans-129.9-29.2-175.9-70.1173.9-169.8-149.84.6112.5D128 A152D128-R130 WeakPolarHBondContact O-CG 3.43Å; D128-R130 PolarHBondContact O-N 3.25Å; D128-R130 VanDerWaalsContact O-N 3.16Å; D128-R130 PolarHBondContact OD1-N 3Å; R130-A152 WeakPolarHBondContact O-CB 3.42Å
131S97.1Very high98Very high27 Ų2756.2 Ų56.219%0.18930%0.297CS..  trans-123.4158.7-176.170.60000112.6K126 D128K126-S131 WeakPolarHBondContact CB-O 3.22Å; K126-S131 VanDerWaalsContact CD-OG 3.22Å; K126-S131 WeakPolarHBondContact CD-OG 3.43Å; K126-S131 WeakPolarHBondContact CE-OG 3.41Å; K126-S131 WeakPolarHBondContact CG-O 3.44Å; K126-S131 PolarHBondContact N-O 2.96Å; K126-S131 PolarHBondContact NZ-OG 2.75Å; D128-S131 PolarHBondContact OD1-N 2.62Å; D128-S131 PolarHBondContact OD1-OG 3.16Å; D128-S131 PolarHBondContact OD2-OG 2.75Å
132W98.6Very high97.9Very high2 Ų251 Ų511%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-113.4143.3-177.3-59.491.9000111.8R113 I123 A124 L125 K143 W146 V151 A152 W155R113-W132 HydrophobicContact CG-CH2 4Å; R113-W132 HydrophobicContact CG-CZ3 4.02Å; I123-W132 HydrophobicContact CD1-CB 4.15Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.38Å; I123-W132 HydrophobicContact CG1-CB 4.23Å; I123-W132 HydrophobicContact CG1-CE3 4.07Å; A124-W132 WeakPolarHBondContact O-CA 3.34Å; L125-W132 HydrophobicContact CB-CE3 3.96Å; L125-W132 HydrophobicContact CB-CH2 4.04Å; L125-W132 HydrophobicContact CB-CZ3 3.62Å; L125-W132 HydrophobicContact CD1-CD2 4.1Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.04Å; L125-W132 HydrophobicContact CD1-CZ2 3.88Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.49Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; W132-K143 HydrophobicContact CB-CD 4.24Å; W132-K143 HydrophobicContact CB-CG 4.08Å; W132-K143 WeakPolarHBondContact O-CE 3.29Å; W132-K143 PolarHBondContact O-NZ 3.48Å; W132-W146 AromaticContact CD2-CE3 3.88Å; W132-W146 HydrophobicContact CD2-CE3 3.88Å; W132-W146 HydrophobicContact CD2-CZ3 4.4Å; W132-W146 AromaticContact CE2-CE3 3.71Å; W132-W146 AromaticContact CE3-CE3 3.81Å; W132-W146 HydrophobicContact CE3-CE3 3.81Å; W132-W146 AromaticContact CE3-CZ3 3.85Å; W132-W146 HydrophobicContact CE3-CZ3 3.85Å; W132-W146 AromaticContact CH2-CE3 3.46Å; W132-W146 HydrophobicContact CH2-CE3 3.46Å; W132-W146 VanDerWaalsContact CH2-CE3 3.46Å; W132-W146 AromaticContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CH2-CZ3 3.39Å; W132-W146 AromaticContact CZ2-CE3 3.52Å; W132-W146 HydrophobicContact CZ2-CE3 3.52Å; W132-W146 AromaticContact CZ2-CZ3 3.98Å; W132-W146 HydrophobicContact CZ2-CZ3 3.98Å; W132-W146 AromaticContact CZ3-CE3 3.61Å; W132-W146 HydrophobicContact CZ3-CE3 3.61Å; W132-W146 AromaticContact CZ3-CZ3 3.32Å; W132-W146 HydrophobicContact CZ3-CZ3 3.32Å; W132-V151 HydrophobicContact CZ2-CB 4.36Å; W132-V151 HydrophobicContact CZ2-CG1 3.99Å; W132-A152 HydrophobicContact CZ2-CB 4.3Å; W132-W155 AromaticContact CH2-CD1 3.93Å
133T98.6Very high97.9Very high74 Ų7452.4 Ų52.445%0.45428%0.276SS..EExtended strand (participates in β ladder)trans-102121.5166.4-60.40000108.3I123 A124 K126I123-T133 CarbonylContact C-O 3.52Å; I123-T133 WeakPolarHBondContact CA-O 3.49Å; I123-T133 WeakPolarHBondContact CG1-O 3.21Å; A124-T133 PolarHBondContact N-O 3.43Å; A124-T133 PolarHBondContact O-N 3.18Å; K126-T133 VanDerWaalsContact CE-OG1 3.24Å; K126-T133 WeakPolarHBondContact CE-OG1 3.36Å; K126-T133 WeakPolarHBondContact CG-OG1 3.18Å
134A98.6Very high97.9Very high17 Ų1757.7 Ų57.714%0.1430%0.301CS..EExtended strand (participates in β ladder)trans-102.7135.4174.800000109.1A139 Q140 K143A134-A139 HydrophobicContact CB-CB 3.71Å; A134-Q140 HydrophobicContact CB-CG 4.34Å; A134-K143 HydrophobicContact CB-CB 4.28Å; A134-K143 HydrophobicContact CB-CD 4.17Å
135A98.4Very high97.9Very high58 Ų5861.9 Ų61.948%0.47931%0.313SS..SBendtrans-77.7-31.3-174.800000113.3D121 Y122D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.23Å; Y122-A135 WeakPolarHBondContact O-CB 3.49Å; Y122-A135 PolarHBondContact O-N 3.34Å
136D97.8Very high97.8Very high58 Ų5863.6 Ų63.631%0.3132%0.318SS..SBendtrans-149.4-174.9-179.266.731.4000112.7Y84 A138 A139 Q140Y84-D136 VanDerWaalsContact CE1-OD2 3.23Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.48Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 3.48Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 2.99Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 WeakPolarHBondContact OD1-CA 3.27Å; D136-A138 WeakPolarHBondContact OD1-CB 3.48Å; D136-A138 PolarHBondContact OD1-N 2.97Å; D136-A139 PolarHBondContact O-N 3.1Å; D136-A139 PolarHBondContact OD1-N 3.3Å; D136-Q140 WeakPolarHBondContact O-CG 3.11Å; D136-Q140 PolarHBondContact O-N 2.92Å
137M96.7Very high97.8Very high154 Ų15463 Ų6376%0.75932%0.317SS*.Hα-helixtrans-66-31.4-178.8-67.6-55.3-58.200114Q140M137-Q140 PolarHBondContact O-N 3.28Å; M137-Q140 HydrophobicContact SD-CG 4.47Å
138A96.2Very high97.9Very high13 Ų1360.5 Ų60.511%0.10732%0.319CS..Hα-helixtrans-68.6-44.417500000109.7Y84 Y122 D136 Q140 T141Y84-A138 HydrophobicContact CD1-CB 4.18Å; Y84-A138 HydrophobicContact CD2-CB 4.44Å; Y84-A138 HydrophobicContact CE1-CB 3.61Å; Y84-A138 HydrophobicContact CE2-CB 3.9Å; Y84-A138 VanDerWaalsContact CZ-CB 3.46Å; Y122-A138 PolarHBondContact OH-O 3.32Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 2.88Å; D136-A138 WeakPolarHBondContact OD1-CA 3.27Å; D136-A138 WeakPolarHBondContact OD1-CB 3.48Å; D136-A138 PolarHBondContact OD1-N 2.97Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.17Å; A138-T141 VanDerWaalsContact O-CB 3.23Å; A138-T141 WeakPolarHBondContact O-CB 3.47Å; A138-T141 PolarHBondContact O-N 2.82Å; A138-T141 PolarHBondContact O-OG1 2.64Å
139A98.1Very high97.9Very high0 Ų059.6 Ų59.60%032%0.322CS..Hα-helixtrans-61.7-30.2175.600000113.7Y122 A134 D136 T141 T142 K143Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.46Å; Y122-A139 HydrophobicContact CE2-CB 3.63Å; Y122-A139 HydrophobicContact CG-CB 4.27Å; Y122-A139 WeakPolarHBondContact O-CB 3.4Å; A134-A139 HydrophobicContact CB-CB 3.71Å; D136-A139 PolarHBondContact O-N 3.1Å; D136-A139 PolarHBondContact OD1-N 3.3Å; A139-T141 PolarHBondContact O-N 3.41Å; A139-T142 PolarHBondContact O-N 2.89Å; A139-T142 VanDerWaalsContact O-N 3.17Å; A139-K143 PolarHBondContact O-N 3.13Å
140Q98.3Very high97.9Very high58 Ų5864.4 Ų64.427%0.27135%0.345SS..Hα-helixtrans-58.3-34.5172.3-66.3-63.8-18.700111.9A134 D136 M137 A138 K143 H144A134-Q140 HydrophobicContact CB-CG 4.34Å; D136-Q140 WeakPolarHBondContact O-CG 3.11Å; D136-Q140 PolarHBondContact O-N 2.92Å; M137-Q140 PolarHBondContact O-N 3.28Å; M137-Q140 HydrophobicContact SD-CG 4.47Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.17Å; Q140-K143 PolarHBondContact O-N 2.88Å; Q140-H144 PolarHBondContact O-CD2 3.16Å; Q140-H144 PolarHBondContact O-N 2.82Å
141T97.1Very high97.9Very high58 Ų5857.4 Ų57.436%0.35632%0.32SS..Hα-helixtrans-63.7-44.7177-56.20000111.1Y83 A138 A139 K145Y83-T141 HydrophobicContact CE1-CG2 4.25Å; Y83-T141 HydrophobicContact CE2-CG2 4.09Å; A138-T141 VanDerWaalsContact O-CB 3.23Å; A138-T141 WeakPolarHBondContact O-CB 3.47Å; A138-T141 PolarHBondContact O-N 2.82Å; A138-T141 PolarHBondContact O-OG1 2.64Å; A139-T141 PolarHBondContact O-N 3.41Å; T141-K145 WeakPolarHBondContact O-CG 3.35Å; T141-K145 PolarHBondContact O-N 2.84Å
142T97.8Very high98Very high18 Ų1856.5 Ų56.511%0.1132%0.315CS..Hα-helixtrans-64.8-44.3174.2-68.70000111.2Y122 I123 A139 H144 K145 W146Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 WeakPolarHBondContact OH-CB 3.39Å; Y122-T142 PolarHBondContact OH-OG1 3.46Å; I123-T142 HydrophobicContact CD1-CG2 4.05Å; A139-T142 PolarHBondContact O-N 2.89Å; A139-T142 VanDerWaalsContact O-N 3.17Å; T142-H144 PolarHBondContact O-N 2.71Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-W146 HydrophobicContact CG2-CD2 3.86Å; T142-W146 HydrophobicContact CG2-CE3 4.41Å; T142-W146 HydrophobicContact CG2-CG 4.15Å; T142-W146 HydrophobicContact CG2-CZ2 4.03Å; T142-W146 WeakPolarHBondContact O-CB 3.33Å; T142-W146 PolarHBondContact O-N 3.48Å
143K98.6Very high98Very high41 Ų4162.5 Ų62.518%0.17834%0.343CS..Hα-helixtrans-53.6-51.4177.7173.1173.5173-176.60111.9I123 W132 A134 A139 Q140 K145 W146 E147I123-K143 HydrophobicContact CD1-CB 3.87Å; W132-K143 HydrophobicContact CB-CD 4.24Å; W132-K143 HydrophobicContact CB-CG 4.08Å; W132-K143 WeakPolarHBondContact O-CE 3.29Å; W132-K143 PolarHBondContact O-NZ 3.48Å; A134-K143 HydrophobicContact CB-CB 4.28Å; A134-K143 HydrophobicContact CB-CD 4.17Å; A139-K143 PolarHBondContact O-N 3.13Å; Q140-K143 PolarHBondContact O-N 2.88Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 2.72Å; K143-W146 PolarHBondContact O-N 3.05Å; K143-E147 WeakPolarHBondContact CE-OE1 3.45Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 2.7Å; K143-E147 WeakPolarHBondContact O-CB 3.49Å; K143-E147 WeakPolarHBondContact O-CG 3.3Å; K143-E147 PolarHBondContact O-N 3.21Å
144H98.4Very high97.9Very high115 Ų11565.4 Ų65.453%0.53235%0.351SS..Hα-helixtrans-61.4-39.5179.6-70.2-44.5000112.9Q140 T142 E147 A148Q140-H144 PolarHBondContact O-CD2 3.16Å; Q140-H144 PolarHBondContact O-N 2.82Å; T142-H144 PolarHBondContact O-N 2.71Å; H144-E147 IonicContact ND1-OE2 3.04Å; H144-A148 WeakPolarHBondContact O-CB 3.28Å; H144-A148 PolarHBondContact O-N 2.86Å
145K97.8Very high97.9Very high119 Ų11966.9 Ų66.952%0.51735%0.353SS..Hα-helixtrans-62.9-44.2175-72.1176.9175.7-176.80111.6Y83 T141 T142 K143 A149Y83-K145 PolarHBondContact OH-NZ 3.31Å; T141-K145 WeakPolarHBondContact O-CG 3.35Å; T141-K145 PolarHBondContact O-N 2.84Å; T142-K145 PolarHBondContact O-N 2.85Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 2.72Å; K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 2.79Å
146W98.1Very high97.9Very high53 Ų5367.8 Ų67.820%0.20134%0.344CS..Hα-helixtrans-70.9-35.6-178.9-77.113.1000113.1I123 W132 T142 K143 A149 H150 V151I123-W146 HydrophobicContact CD1-CE3 4.05Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.85Å; W132-W146 AromaticContact CD2-CE3 3.88Å; W132-W146 HydrophobicContact CD2-CE3 3.88Å; W132-W146 HydrophobicContact CD2-CZ3 4.4Å; W132-W146 AromaticContact CE2-CE3 3.71Å; W132-W146 AromaticContact CE3-CE3 3.81Å; W132-W146 HydrophobicContact CE3-CE3 3.81Å; W132-W146 AromaticContact CE3-CZ3 3.85Å; W132-W146 HydrophobicContact CE3-CZ3 3.85Å; W132-W146 AromaticContact CH2-CE3 3.46Å; W132-W146 HydrophobicContact CH2-CE3 3.46Å; W132-W146 VanDerWaalsContact CH2-CE3 3.46Å; W132-W146 AromaticContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CH2-CZ3 3.39Å; W132-W146 AromaticContact CZ2-CE3 3.52Å; W132-W146 HydrophobicContact CZ2-CE3 3.52Å; W132-W146 AromaticContact CZ2-CZ3 3.98Å; W132-W146 HydrophobicContact CZ2-CZ3 3.98Å; W132-W146 AromaticContact CZ3-CE3 3.61Å; W132-W146 HydrophobicContact CZ3-CE3 3.61Å; W132-W146 AromaticContact CZ3-CZ3 3.32Å; W132-W146 HydrophobicContact CZ3-CZ3 3.32Å; T142-W146 HydrophobicContact CG2-CD2 3.86Å; T142-W146 HydrophobicContact CG2-CE3 4.41Å; T142-W146 HydrophobicContact CG2-CG 4.15Å; T142-W146 HydrophobicContact CG2-CZ2 4.03Å; T142-W146 WeakPolarHBondContact O-CB 3.33Å; T142-W146 PolarHBondContact O-N 3.48Å; K143-W146 PolarHBondContact O-N 3.05Å; W146-A149 CarbonylContact O-C 3.55Å; W146-A149 PolarHBondContact O-N 3.12Å; W146-H150 PolarHBondContact O-N 2.79Å; W146-H150 VanDerWaalsContact O-N 3.08Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.96Å; W146-V151 HydrophobicContact CD2-CB 4.47Å; W146-V151 HydrophobicContact CD2-CG1 4.13Å; W146-V151 HydrophobicContact CE3-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.11Å; W146-V151 HydrophobicContact CG-CG1 4.28Å; W146-V151 HydrophobicContact CG-CG2 3.95Å; W146-V151 PolarHBondContact O-N 2.97Å
147E98.3Very high97.9Very high75 Ų7568.1 Ų68.135%0.3536%0.355SS..Hα-helixtrans-65-47.4172.6-73.7174.3161.100111K143 H144 A149 H150K143-E147 WeakPolarHBondContact CE-OE1 3.45Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 2.7Å; K143-E147 WeakPolarHBondContact O-CB 3.49Å; K143-E147 WeakPolarHBondContact O-CG 3.3Å; K143-E147 PolarHBondContact O-N 3.21Å; H144-E147 IonicContact ND1-OE2 3.04Å; E147-A149 PolarHBondContact O-N 2.86Å; E147-H150 PolarHBondContact O-N 2.85Å; E147-H150 VanDerWaalsContact O-N 3.1Å
148A98.2Very high98Very high82 Ų8263.5 Ų63.568%0.67833%0.33SS*.Hα-helixtrans-62.5-29.8176.900000113.2H144H144-A148 WeakPolarHBondContact O-CB 3.28Å; H144-A148 PolarHBondContact O-N 2.86Å
149A98Very high98.1Very high57 Ų5762.9 Ų62.947%0.47132%0.324SS..THydrogen-bonded Turntrans-93.66.5177.700000113.9K145 W146 E147 V151K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 2.79Å; W146-A149 CarbonylContact O-C 3.55Å; W146-A149 PolarHBondContact O-N 3.12Å; E147-A149 PolarHBondContact O-N 2.86Å; A149-V151 HydrophobicContact CB-CG2 3.94Å; A149-V151 PolarHBondContact O-N 3.25Å
150H97.5Very high98.2Very high106 Ų10666.6 Ų66.649%0.49134%0.342SS..THydrogen-bonded Turntrans53.534.7179.6-62.9-92.9000114W146 E147 A152 E153W146-H150 PolarHBondContact O-N 2.79Å; W146-H150 VanDerWaalsContact O-N 3.08Å; E147-H150 PolarHBondContact O-N 2.85Å; E147-H150 VanDerWaalsContact O-N 3.1Å; H150-A152 PolarHBondContact O-N 2.95Å; H150-E153 HydrophobicContact CB-CG 4.43Å; H150-E153 IonicContact CE1-OE1 3.89Å; H150-E153 IonicContact CG-OE1 3.51Å; H150-E153 IonicContact ND1-OE1 2.78Å; H150-E153 PolarHBondContact ND1-OE1 2.85Å; H150-E153 PolarHBondContact O-N 3.36Å; H150-E153 VanDerWaalsContact O-N 3.08Å
151V98.3Very high98.2Very high21 Ų2165 Ų6513%0.12734%0.341CS..Hα-helixtrans-62-30.5-174.8176.40000111.9W132 W146 A149 E153 Q154 W155W132-V151 HydrophobicContact CZ2-CB 4.36Å; W132-V151 HydrophobicContact CZ2-CG1 3.99Å; W146-V151 HydrophobicContact CB-CB 3.96Å; W146-V151 HydrophobicContact CB-CG2 3.96Å; W146-V151 HydrophobicContact CD2-CB 4.47Å; W146-V151 HydrophobicContact CD2-CG1 4.13Å; W146-V151 HydrophobicContact CE3-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.11Å; W146-V151 HydrophobicContact CG-CG1 4.28Å; W146-V151 HydrophobicContact CG-CG2 3.95Å; W146-V151 PolarHBondContact O-N 2.97Å; A149-V151 HydrophobicContact CB-CG2 3.94Å; A149-V151 PolarHBondContact O-N 3.25Å; V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 2.77Å; V151-Q154 PolarHBondContact O-N 2.92Å; V151-W155 VanDerWaalsContact O-CD1 3.31Å; V151-W155 PolarHBondContact O-N 3.19Å
152A98.4Very high98.2Very high8 Ų865 Ų657%0.06634%0.341CS..Hα-helixtrans-61.3-36.5176.600000112.7L125 R130 W132 H150 Q154 W155 R156L125-A152 HydrophobicContact CD1-CB 3.98Å; R130-A152 WeakPolarHBondContact O-CB 3.42Å; W132-A152 HydrophobicContact CZ2-CB 4.3Å; H150-A152 PolarHBondContact O-N 2.95Å; A152-Q154 PolarHBondContact O-N 3.19Å; A152-W155 PolarHBondContact O-N 2.85Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.29Å; A152-R156 PolarHBondContact O-N 2.89Å
153E98.1Very high98.3Very high127 Ų12764.1 Ų64.159%0.59334%0.335SS*.Hα-helixtrans-66.9-38.6-179.2-64.6174.5-15700111.5H150 V151 R156 A157H150-E153 HydrophobicContact CB-CG 4.43Å; H150-E153 IonicContact CE1-OE1 3.89Å; H150-E153 IonicContact CG-OE1 3.51Å; H150-E153 IonicContact ND1-OE1 2.78Å; H150-E153 PolarHBondContact ND1-OE1 2.85Å; H150-E153 PolarHBondContact O-N 3.36Å; H150-E153 VanDerWaalsContact O-N 3.08Å; V151-E153 VanDerWaalsContact C-N 3.3Å; V151-E153 PolarHBondContact O-N 2.77Å; E153-R156 PolarHBondContact O-N 2.94Å; E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 2.88Å
154Q97.4Very high98.3Very high136 Ų13662.4 Ų62.464%0.63633%0.329SS*.Hα-helixtrans-64.9-46.3175.8-59.6179.415.700111.2V151 A152 A157 Y158V151-Q154 PolarHBondContact O-N 2.92Å; A152-Q154 PolarHBondContact O-N 3.19Å; Q154-A157 PolarHBondContact O-N 3.02Å; Q154-Y158 PolarHBondContact O-N 2.87Å; Q154-Y158 VanDerWaalsContact O-N 3.09Å
155W98.3Very high98.3Very high47 Ų4762.9 Ų62.918%0.17833%0.331CS..Hα-helixtrans-64.1-41.8176.4-80.7107.9000112Y98 R113 L125 W132 V151 A152 A157 Y158 L159Y98-W155 HydrophobicContact CD1-CH2 4.33Å; Y98-W155 HydrophobicContact CD1-CZ3 4.46Å; Y98-W155 AromaticContact CD2-CZ3 3.91Å; Y98-W155 HydrophobicContact CD2-CZ3 3.91Å; Y98-W155 HydrophobicContact CE2-CZ3 4.45Å; Y98-W155 HydrophobicContact CG-CH2 4.24Å; Y98-W155 AromaticContact CG-CZ3 3.92Å; Y98-W155 HydrophobicContact CG-CZ3 3.92Å; R113-W155 HydrophobicContact CB-CD2 4.48Å; R113-W155 HydrophobicContact CG-CD2 4.14Å; R113-W155 HydrophobicContact CG-CG 4.42Å; L125-W155 HydrophobicContact CD2-CB 4.05Å; W132-W155 AromaticContact CH2-CD1 3.93Å; V151-W155 VanDerWaalsContact O-CD1 3.31Å; V151-W155 PolarHBondContact O-N 3.19Å; A152-W155 PolarHBondContact O-N 2.85Å; W155-A157 PolarHBondContact O-N 2.98Å; W155-Y158 HydrophobicContact CE3-CD1 4.09Å; W155-Y158 AromaticContact CZ3-CD1 4Å; W155-Y158 HydrophobicContact CZ3-CD1 4Å; W155-Y158 HydrophobicContact CZ3-CE1 4.33Å; W155-Y158 PolarHBondContact O-N 3.45Å; W155-L159 HydrophobicContact CB-CD1 4.39Å; W155-L159 VanDerWaalsContact O-CB 3.27Å; W155-L159 WeakPolarHBondContact O-CB 3.36Å; W155-L159 WeakPolarHBondContact O-CG 3.28Å; W155-L159 PolarHBondContact O-N 2.88Å
156R98.6Very high98.3Very high77 Ų7759.3 Ų59.329%0.29131%0.314SS..Hα-helixtrans-58.7-47.3176.2-175.2173.5179.9-142.5-14.7111.7L129 A152 E153 Y158 L159 E160L129-R156 HydrophobicContact CB-CB 4.04Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.1Å; A152-R156 VanDerWaalsContact O-CB 3.28Å; A152-R156 WeakPolarHBondContact O-CB 3.29Å; A152-R156 PolarHBondContact O-N 2.89Å; E153-R156 PolarHBondContact O-N 2.94Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 3.21Å; R156-L159 PolarHBondContact O-N 3.31Å; R156-E160 HydrophobicContact CG-CG 4.17Å; R156-E160 IonicContact CZ-OE1 3.43Å; R156-E160 IonicContact CZ-OE2 3.13Å; R156-E160 IonicContact NE-OE1 3.28Å; R156-E160 PolarHBondContact NE-OE1 3.39Å; R156-E160 IonicContact NE-OE2 2.77Å; R156-E160 PolarHBondContact NE-OE2 2.86Å; R156-E160 IonicContact NH2-OE1 3.31Å; R156-E160 PolarHBondContact NH2-OE1 3.25Å; R156-E160 IonicContact NH2-OE2 2.72Å; R156-E160 PolarHBondContact NH2-OE2 3.16Å; R156-E160 WeakPolarHBondContact O-CB 3.43Å; R156-E160 PolarHBondContact O-N 3.48Å
157A98.4Very high98.3Very high66 Ų6656.8 Ų56.855%0.54531%0.305SS..Hα-helixtrans-59.9-42.2177.500000112.2E153 Q154 W155 G161E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 2.88Å; Q154-A157 PolarHBondContact O-N 3.02Å; W155-A157 PolarHBondContact O-N 2.98Å; A157-G161 PolarHBondContact O-N 2.86Å; A157-G161 VanDerWaalsContact O-N 3.16Å
158Y98.4Very high98.3Very high56 Ų5659 Ų5922%0.2231%0.31CS..Iπ-helixtrans-65.4-47.5175.1172.6-98.4000112.4Y98 Q154 W155 R156 T162 C163Y98-Y158 AromaticContact CD2-CE1 3.85Å; Y98-Y158 HydrophobicContact CD2-CE1 3.85Å; Y98-Y158 AromaticContact CE2-CE1 3.75Å; Y98-Y158 HydrophobicContact CE2-CE1 3.75Å; Y98-Y158 AromaticContact CE2-CZ 3.98Å; Q154-Y158 PolarHBondContact O-N 2.87Å; Q154-Y158 VanDerWaalsContact O-N 3.09Å; W155-Y158 HydrophobicContact CE3-CD1 4.09Å; W155-Y158 AromaticContact CZ3-CD1 4Å; W155-Y158 HydrophobicContact CZ3-CD1 4Å; W155-Y158 HydrophobicContact CZ3-CE1 4.33Å; W155-Y158 PolarHBondContact O-N 3.45Å; R156-Y158 VanDerWaalsContact C-N 3.33Å; R156-Y158 PolarHBondContact O-N 3.21Å; Y158-T162 HydrophobicContact CD2-CG2 4.04Å; Y158-T162 HydrophobicContact CE2-CG2 3.92Å; Y158-T162 PolarHBondContact O-N 2.9Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.4Å; Y158-C163 PolarHBondContact O-N 2.81Å
159L98.7Very high98.3Very high0 Ų060.9 Ų60.90%030%0.299CS..Iπ-helixtrans-71-42.2-173-69.8171.7000112.7G99 F108 L125 L129 W155 R156G99-L159 VanDerWaalsContact O-CD2 3.23Å; G99-L159 WeakPolarHBondContact O-CD2 3.37Å; F108-L159 WeakPolarHBondContact CE2-O 3.25Å; L125-L159 HydrophobicContact CD2-CD1 3.96Å; L129-L159 HydrophobicContact CD2-CD1 4.06Å; W155-L159 HydrophobicContact CB-CD1 4.39Å; W155-L159 VanDerWaalsContact O-CB 3.27Å; W155-L159 WeakPolarHBondContact O-CB 3.36Å; W155-L159 WeakPolarHBondContact O-CG 3.28Å; W155-L159 PolarHBondContact O-N 2.88Å; R156-L159 PolarHBondContact O-N 3.31Å
160E98.5Very high98.3Very high79 Ų7958.2 Ų58.237%0.36928%0.277SS..Iπ-helixtrans-77.7-25.9178.4-67.7-178.5177.900112.3F108 L129 R156F108-E160 HydrophobicContact CD1-CG 4.16Å; F108-E160 HydrophobicContact CE1-CG 3.91Å; F108-E160 HydrophobicContact CE2-CG 4.41Å; F108-E160 HydrophobicContact CZ-CG 4.05Å; L129-E160 HydrophobicContact CD1-CG 3.96Å; R156-E160 HydrophobicContact CG-CG 4.17Å; R156-E160 IonicContact CZ-OE1 3.43Å; R156-E160 IonicContact CZ-OE2 3.13Å; R156-E160 IonicContact NE-OE1 3.28Å; R156-E160 PolarHBondContact NE-OE1 3.39Å; R156-E160 IonicContact NE-OE2 2.77Å; R156-E160 PolarHBondContact NE-OE2 2.86Å; R156-E160 IonicContact NH2-OE1 3.31Å; R156-E160 PolarHBondContact NH2-OE1 3.25Å; R156-E160 IonicContact NH2-OE2 2.72Å; R156-E160 PolarHBondContact NH2-OE2 3.16Å; R156-E160 WeakPolarHBondContact O-CB 3.43Å; R156-E160 PolarHBondContact O-N 3.48Å
161G98.4Very high98.3Very high24 Ų2453.8 Ų53.825%0.24726%0.257CS..Iπ-helixtrans-107.7-92.1-176.900000113A157 C163 V164 E165A157-G161 PolarHBondContact O-N 2.86Å; A157-G161 VanDerWaalsContact O-N 3.16Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 3.17Å; G161-V164 WeakPolarHBondContact O-CB 3.37Å; G161-V164 PolarHBondContact O-N 3.4Å; G161-E165 PolarHBondContact O-N 2.91Å
162T98.3Very high98.2Very high57 Ų5758.7 Ų58.735%0.3528%0.278SS..Iπ-helixtrans-53.9-41.1-170.1-57.40000113.5Y158 V164 E165 W166Y158-T162 HydrophobicContact CD2-CG2 4.04Å; Y158-T162 HydrophobicContact CE2-CG2 3.92Å; Y158-T162 PolarHBondContact O-N 2.9Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; T162-V164 PolarHBondContact O-N 3.18Å; T162-E165 PolarHBondContact O-N 2.82Å; T162-W166 VanDerWaalsContact CG2-CD1 3.49Å; T162-W166 PolarHBondContact O-N 2.81Å
163C98.7Very high98.2Very high0 Ų060.7 Ų60.70%029%0.288CS..Hα-helixtrans-60.1-46.5177.9-175.70000111.6M4 C100 Y158 G161 W166 L167M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.16Å; M4-C163 WeakPolarHBondContact CE-SG 3.39Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.39Å; C100-C163 PolarHBondContact N-SG 3.42Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.17Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.4Å; Y158-C163 PolarHBondContact O-N 2.81Å; G161-C163 VanDerWaalsContact C-N 3.29Å; G161-C163 PolarHBondContact O-N 3.17Å; C163-W166 PolarHBondContact O-N 3.3Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 PolarHBondContact O-N 3.38Å
164V98.7Very high98.1Very high6 Ų654.8 Ų54.84%0.03626%0.261CS..Hα-helixtrans-65.5-41.4179174.30000111.2C100 V102 F108 G161 T162 L167 R168C100-V164 HydrophobicContact CB-CG2 4.5Å; V102-V164 HydrophobicContact CG1-CB 4.4Å; V102-V164 HydrophobicContact CG1-CG1 3.89Å; V102-V164 HydrophobicContact CG1-CG2 4.07Å; F108-V164 HydrophobicContact CB-CG2 4.01Å; F108-V164 HydrophobicContact CD2-CG2 3.64Å; F108-V164 HydrophobicContact CG-CG2 4.3Å; G161-V164 WeakPolarHBondContact O-CB 3.37Å; G161-V164 PolarHBondContact O-N 3.4Å; T162-V164 PolarHBondContact O-N 3.18Å; V164-L167 PolarHBondContact O-N 2.97Å; V164-R168 WeakPolarHBondContact O-CG 3.46Å; V164-R168 PolarHBondContact O-N 2.85Å
165E98.4Very high98Very high125 Ų12553.4 Ų53.458%0.58425%0.253SS*.Hα-helixtrans-60.8-47.1176.9-69.6174.6171.500111.9G161 T162 R168 R169G161-E165 PolarHBondContact O-N 2.91Å; T162-E165 PolarHBondContact O-N 2.82Å; E165-R168 PolarHBondContact O-N 3.23Å; E165-R169 PolarHBondContact O-N 3.04Å; E165-R169 VanDerWaalsContact O-N 3.09Å
166W98.3Very high97.7Very high44 Ų4459.8 Ų59.817%0.16729%0.285CS..Hα-helixtrans-65.9-43.7176.9-80.4107.6000112.3M4 Y58 T162 C163 R168 R169 Y170M4-W166 HydrophobicContact CE-CB 4.04Å; M4-W166 HydrophobicContact SD-CB 4.36Å; Y58-W166 AromaticContact CD2-CH2 3.72Å; Y58-W166 HydrophobicContact CD2-CH2 3.72Å; Y58-W166 HydrophobicContact CD2-CZ2 4.44Å; Y58-W166 AromaticContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CD2-CZ3 3.81Å; Y58-W166 HydrophobicContact CE2-CE3 4.26Å; Y58-W166 HydrophobicContact CE2-CH2 4.14Å; Y58-W166 AromaticContact CE2-CZ3 3.85Å; Y58-W166 HydrophobicContact CE2-CZ3 3.85Å; T162-W166 VanDerWaalsContact CG2-CD1 3.49Å; T162-W166 PolarHBondContact O-N 2.81Å; C163-W166 PolarHBondContact O-N 3.3Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 2.75Å; W166-R169 PolarHBondContact O-N 3.34Å; W166-Y170 HydrophobicContact CB-CE2 3.95Å; W166-Y170 HydrophobicContact CE3-CD1 4.42Å; W166-Y170 AromaticContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE1 3.49Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE2 4.34Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.97Å; W166-Y170 HydrophobicContact CZ3-CE1 3.97Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.86Å
167L98.6Very high97.5Very high0 Ų058.3 Ų58.30%028%0.284CS..Hα-helixtrans-58.6-45.2177.3175.252.2000111.2H2 M4 V27 V102 C163 V164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.41Å; M4-L167 HydrophobicContact CB-CB 4.08Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.29Å; V27-L167 HydrophobicContact CG1-CD1 3.62Å; V27-L167 HydrophobicContact CG2-CD1 4.3Å; V102-L167 HydrophobicContact CB-CD2 4.34Å; V102-L167 HydrophobicContact CG1-CD2 3.93Å; V102-L167 HydrophobicContact CG2-CD2 3.63Å; V102-L167 HydrophobicContact CG2-CG 4.18Å; C163-L167 WeakPolarHBondContact O-CB 3.39Å; C163-L167 PolarHBondContact O-N 3.38Å; V164-L167 PolarHBondContact O-N 2.97Å; L167-R169 PolarHBondContact O-N 2.82Å; L167-Y170 PolarHBondContact O-N 2.87Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 3.98Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.36Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 2.86Å
168R98.1Very high97.3Very high121 Ų12155.3 Ų55.346%0.45726%0.259SS..Hα-helixtrans-60-44.6175.4-72.7174.2-177.7175.10.9112.3G106 V164 E165 W166 Y170 L171 E172G106-R168 PolarHBondContact O-NE 3.46Å; G106-R168 PolarHBondContact O-NH2 2.93Å; V164-R168 WeakPolarHBondContact O-CG 3.46Å; V164-R168 PolarHBondContact O-N 2.85Å; E165-R168 PolarHBondContact O-N 3.23Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 2.75Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 3.49Å; R168-L171 PolarHBondContact O-N 2.91Å; R168-E172 PolarHBondContact O-N 3.05Å; R168-E172 VanDerWaalsContact O-N 3.07Å
169R97.6Very high97Very high121 Ų12156.8 Ų56.846%0.45727%0.268SS..Hα-helixtrans-60.7-44176.5179.1178173.5113.7-5.5111.4E54 E165 W166 L167 E172 N173E54-R169 IonicContact OE1-CZ 3.26Å; E54-R169 IonicContact OE1-NE 2.71Å; E54-R169 PolarHBondContact OE1-NE 2.75Å; E54-R169 IonicContact OE1-NH2 3.78Å; E54-R169 PolarHBondContact OE1-NH2 2.71Å; E54-R169 IonicContact OE2-CZ 3.23Å; E54-R169 IonicContact OE2-NE 3.68Å; E54-R169 IonicContact OE2-NH2 2.75Å; E54-R169 PolarHBondContact OE2-NH2 3.02Å; E165-R169 PolarHBondContact O-N 3.04Å; E165-R169 VanDerWaalsContact O-N 3.09Å; W166-R169 PolarHBondContact O-N 3.34Å; L167-R169 PolarHBondContact O-N 2.82Å; R169-E172 PolarHBondContact O-N 3Å; R169-N173 VanDerWaalsContact O-CB 3.29Å; R169-N173 WeakPolarHBondContact O-CB 3.3Å; R169-N173 PolarHBondContact O-N 3.22Å; R169-N173 PolarHBondContact O-OD1 3Å
170Y98.1Very high96.8Very high1 Ų160.5 Ų60.50%0.00428%0.282CS..Hα-helixtrans-66.9-39.1178.6-61.5-27.6000112.8M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178M4-Y170 HydrophobicContact SD-CD2 3.72Å; M4-Y170 HydrophobicContact SD-CE2 3.51Å; M4-Y170 VanDerWaalsContact SD-CE2 3.51Å; V27-Y170 HydrophobicContact CG2-CD2 3.95Å; V27-Y170 HydrophobicContact CG2-CG 4.46Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.2Å; F32-Y170 AromaticContact CE2-CE2 3.62Å; F32-Y170 HydrophobicContact CE2-CE2 3.62Å; F32-Y170 AromaticContact CE2-CZ 3.92Å; F32-Y170 HydrophobicContact CZ-CD2 4.25Å; F32-Y170 AromaticContact CZ-CE2 3.77Å; F32-Y170 HydrophobicContact CZ-CE2 3.77Å; W50-Y170 HydrophobicContact CH2-CG 4.32Å; W50-Y170 AromaticContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD1 3.86Å; W50-Y170 HydrophobicContact CZ3-CD2 4.47Å; W50-Y170 AromaticContact CZ3-CG 3.76Å; W50-Y170 HydrophobicContact CZ3-CG 3.76Å; I51-Y170 HydrophobicContact CD1-CD1 3.8Å; I51-Y170 HydrophobicContact CD1-CE1 3.32Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.43Å; Y58-Y170 PolarHBondContact OH-OH 2.88Å; W166-Y170 HydrophobicContact CB-CE2 3.95Å; W166-Y170 HydrophobicContact CE3-CD1 4.42Å; W166-Y170 AromaticContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE1 3.49Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.49Å; W166-Y170 HydrophobicContact CE3-CE2 4.34Å; W166-Y170 AromaticContact CE3-CZ 3.43Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.43Å; W166-Y170 AromaticContact CZ3-CE1 3.97Å; W166-Y170 HydrophobicContact CZ3-CE1 3.97Å; W166-Y170 VanDerWaalsContact O-CD2 3.3Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.86Å; L167-Y170 PolarHBondContact O-N 2.87Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 3.49Å; Y170-E172 VanDerWaalsContact C-N 3.28Å; Y170-E172 PolarHBondContact O-N 3.1Å; Y170-N173 PolarHBondContact O-N 2.91Å; Y170-G174 PolarHBondContact O-N 2.81Å; Y170-L178 WeakPolarHBondContact O-CD1 3.42Å
171L97.6Very high96.7Very high13 Ų1359.7 Ų59.77%0.06828%0.283CS..Hα-helixtrans-63.9-33.7175.1-71.7168.2000112.7H2 V27 V102 L167 R168 K175 L178 Q179H2-L171 HydrophobicContact CB-CD1 3.68Å; H2-L171 HydrophobicContact CB-CD2 3.98Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.36Å; V27-L171 HydrophobicContact CG1-CD2 4.05Å; V102-L171 HydrophobicContact CG2-CD1 4.47Å; L167-L171 HydrophobicContact CD1-CD1 3.83Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.88Å; L167-L171 HydrophobicContact CG-CD1 3.98Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.36Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 2.86Å; R168-L171 PolarHBondContact O-N 2.91Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.49Å; L171-K175 WeakPolarHBondContact O-CB 3.45Å; L171-K175 PolarHBondContact O-N 2.94Å; L171-K175 VanDerWaalsContact O-N 3.16Å; L171-L178 HydrophobicContact CD2-CB 4.14Å; L171-L178 HydrophobicContact CD2-CD1 4.3Å; L171-Q179 PolarHBondContact O-NE2 3.47Å
172E97.1Very high96.6Very high124 Ų12461.1 Ų61.158%0.57929%0.285SS*.Hα-helixtrans-72.9-49.6173.7-171.659.5-149.500111R168 R169 Y170 G174 K175R168-E172 PolarHBondContact O-N 3.05Å; R168-E172 VanDerWaalsContact O-N 3.07Å; R169-E172 PolarHBondContact O-N 3Å; Y170-E172 VanDerWaalsContact C-N 3.28Å; Y170-E172 PolarHBondContact O-N 3.1Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.33Å; E172-K175 WeakPolarHBondContact O-CB 3.41Å; E172-K175 PolarHBondContact O-N 3.23Å
173N97.2Very high96.5Very high50 Ų5060.7 Ų60.727%0.26729%0.287SS..Hα-helixtrans-57.7-42.1178.7-74.5-1.4000112.8W50 Q53 E54 R169 Y170W50-N173 WeakPolarHBondContact CB-O 3.29Å; Q53-N173 PolarHBondContact NE2-ND2 3.11Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.16Å; Q53-N173 PolarHBondContact NE2-OD1 3.11Å; E54-N173 PolarHBondContact OE1-ND2 2.79Å; R169-N173 VanDerWaalsContact O-CB 3.29Å; R169-N173 WeakPolarHBondContact O-CB 3.3Å; R169-N173 PolarHBondContact O-N 3.22Å; R169-N173 PolarHBondContact O-OD1 3Å; Y170-N173 PolarHBondContact O-N 2.91Å
174G96.4Very high96.5Very high3 Ų361.1 Ų61.13%0.03129%0.29CS..THydrogen-bonded Turntrans-102.919.5-176.100000113.6W50 Y170 E172 E176 T177 L178W50-G174 VanDerWaalsContact CG-CA 3.5Å; Y170-G174 PolarHBondContact O-N 2.81Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.33Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.84Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 3.35Å; G174-L178 WeakPolarHBondContact O-CB 3.35Å; G174-L178 PolarHBondContact O-N 2.88Å
175K95.2Very high96.5Very high107 Ų10767.6 Ų67.647%0.46532%0.318SS..Hα-helixtrans-48.5-45.6-171.4-177.4173.8-175.3174.20113.9L171 E172 T177 Q179L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.49Å; L171-K175 WeakPolarHBondContact O-CB 3.45Å; L171-K175 PolarHBondContact O-N 2.94Å; L171-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.41Å; E172-K175 PolarHBondContact O-N 3.23Å; K175-T177 PolarHBondContact O-N 3.47Å; K175-Q179 WeakPolarHBondContact O-CB 3.4Å; K175-Q179 PolarHBondContact O-N 3.21Å; K175-Q179 VanDerWaalsContact O-N 3.11Å
176E93.3Very high96.4Very high182 Ų18263.5 Ų63.585%0.8530%0.301SS*.Hα-helixtrans-64.4-24.7-179.9-63-175.2166.900113.7G174G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.84Å; G174-E176 VanDerWaalsContact O-N 3.15Å
177T93.1Very high96.2Very high45 Ų4565.2 Ų65.228%0.27631%0.311SS..Hα-helixtrans-102.2-43.2-178.9-53.60000112.4G174 K175 R180G174-T177 PolarHBondContact O-N 3.35Å; K175-T177 PolarHBondContact O-N 3.47Å; T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.17Å
178L94.1Very high96.1Very high4 Ų467 Ų672%0.02132%0.319CS..Hα-helixtrans-84.3-28.5-171.8-63.7172.6000112.8V27 T30 W50 Y170 L171 G174V27-L178 HydrophobicContact CB-CD1 4.24Å; V27-L178 HydrophobicContact CB-CD2 4.08Å; V27-L178 HydrophobicContact CG1-CD1 3.87Å; V27-L178 HydrophobicContact CG1-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CG 4.48Å; T30-L178 HydrophobicContact CG2-CD2 4.14Å; W50-L178 HydrophobicContact CD2-CD1 4.46Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.83Å; W50-L178 HydrophobicContact CZ2-CD2 4.03Å; W50-L178 HydrophobicContact CZ2-CG 4.3Å; Y170-L178 WeakPolarHBondContact O-CD1 3.42Å; L171-L178 HydrophobicContact CD2-CB 4.14Å; L171-L178 HydrophobicContact CD2-CD1 4.3Å; G174-L178 WeakPolarHBondContact O-CB 3.35Å; G174-L178 PolarHBondContact O-N 2.88Å
179Q92.8Very high95.9Very high87 Ų8762.8 Ų62.841%0.40731%0.307SS..SBendtrans-105.213.3178.9-54.7179.832.100112.2L171 K175L171-Q179 PolarHBondContact O-NE2 3.47Å; K175-Q179 WeakPolarHBondContact O-CB 3.4Å; K175-Q179 PolarHBondContact O-N 3.21Å; K175-Q179 VanDerWaalsContact O-N 3.11Å
180R94.6Very high95.7Very high78 Ų7860.2 Ų60.229%0.29430%0.3SS..  trans-77.4158.7171.381-171.9171.4176.54.3110.2T177 D182 Y208 G238T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.17Å; R180-D182 IonicContact CZ-OD2 3.9Å; R180-D182 IonicContact NE-OD2 3.8Å; R180-D182 PolarHBondContact NE-OD2 3.13Å; R180-Y208 HydrophobicContact CG-CD1 3.81Å; R180-Y208 HydrophobicContact CG-CE1 4.26Å; R180-Y208 WeakPolarHBondContact O-CD1 3.32Å; R180-G238 PolarHBondContact NH2-O 3.29Å
181T95.4Very high95.4Very high62 Ų6264.3 Ų64.338%0.3832%0.319SS..  trans-138115.7171.1-35.90000108.5Y208 E263T181-Y208 WeakPolarHBondContact CA-O 3.43Å; T181-Y208 WeakPolarHBondContact CG2-O 3.33Å; T181-E263 HydrophobicContact CG2-CB 4.05Å; T181-E263 HydrophobicContact CG2-CG 4.12Å
182D96.5Very high95Very high54 Ų5467.5 Ų67.529%0.28935%0.347SS..BIsolated β-bridgetrans-105.4113.8-178-62.3-36000108R180 F207 Y208 H262R180-D182 IonicContact CZ-OD2 3.9Å; R180-D182 IonicContact NE-OD2 3.8Å; R180-D182 PolarHBondContact NE-OD2 3.13Å; D182-F207 VanDerWaalsContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CA 3.41Å; D182-F207 WeakPolarHBondContact O-CB 3.44Å; D182-Y208 PolarHBondContact N-O 3.48Å; D182-Y208 PolarHBondContact O-N 3.18Å; D182-Y208 VanDerWaalsContact O-N 3.13Å; D182-H262 PolarHBondContact O-CE1 2.83Å; D182-H262 VanDerWaalsContact O-CE1 3.3Å
183A97.8Very high94.6Very high48 Ų4865.9 Ų65.940%0.39735%0.346SS..  trans-65.1141.7179.700000111.4K185 L265A183-K185 PolarHBondContact O-N 3.5Å; A183-L265 HydrophobicContact CB-CD2 4.01Å
184P98.1Very high94.2Very high9 Ų966 Ų666%0.05835%0.351CS..  trans-64.7132.8179.526.8-34.7000112.2T186 A204 F207 I212 V260 H262 L265P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.25Å; P184-T186 PolarHBondContact O-N 2.84Å; P184-A204 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 4.01Å; P184-F207 HydrophobicContact CB-CG 4.2Å; P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; P184-V260 HydrophobicContact CG-CG1 4.01Å; P184-H262 HydrophobicContact CG-CB 4.15Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.39Å; P184-L265 HydrophobicContact CG-CG 4.19Å
185K97.8Very high93.7Very high142 Ų14272.9 Ų72.962%0.61739%0.387SS*.EExtended strand (participates in β ladder)trans-78.4105.5164.4-64.8177.9-173.5169.30108A183 L205A183-K185 PolarHBondContact O-N 3.5Å; K185-L205 HydrophobicContact CB-CB 4.45Å; K185-L205 PolarHBondContact N-O 2.62Å; K185-L205 PolarHBondContact O-N 2.72Å
186T97Very high93.5Very high38 Ų3874.7 Ų74.723%0.23340%0.396CS..EExtended strand (participates in β ladder)trans-101.5141.4-175.359.80000112.7P184 W203 A204 V260 L269 L271P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.25Å; P184-T186 PolarHBondContact O-N 2.84Å; T186-W203 WeakPolarHBondContact CA-O 3.49Å; T186-W203 WeakPolarHBondContact CB-O 3.38Å; T186-A204 HydrophobicContact CG2-CB 4.46Å; T186-V260 HydrophobicContact CG2-CG1 4.32Å; T186-V260 HydrophobicContact CG2-CG2 4.17Å; T186-L269 HydrophobicContact CG2-CD1 4.37Å; T186-L271 HydrophobicContact CG2-CD1 4.08Å
187H94.9Very high93.5Very high80 Ų8070.5 Ų70.537%0.3738%0.377SS..EExtended strand (participates in β ladder)trans-152.1167.7169.569.9-77.3000110.5W203H187-W203 AromaticContact CD2-CD1 3.92Å; H187-W203 WeakPolarHBondContact CE1-CB 3.34Å; H187-W203 AromaticContact CE1-CD1 3.73Å; H187-W203 AromaticContact CE1-CG 3.44Å; H187-W203 VanDerWaalsContact CE1-CG 3.44Å; H187-W203 PolarHBondContact N-O 2.81Å; H187-W203 AromaticContact NE2-CD1 3.39Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.91Å; H187-W203 PolarHBondContact O-N 2.89Å
188M94.9Very high93.5Very high37 Ų3768.4 Ų68.418%0.18236%0.364CS..EExtended strand (participates in β ladder)trans-119.3140.7178.5-68.3-176.866.600111L200 R201 W216 L271 R272 W273M188-L200 HydrophobicContact CE-CD1 4.45Å; M188-R201 WeakPolarHBondContact CA-O 3.33Å; M188-W216 HydrophobicContact CE-CH2 3.31Å; M188-W216 HydrophobicContact CE-CZ2 4.17Å; M188-W216 HydrophobicContact CE-CZ3 4.06Å; M188-L271 HydrophobicContact CG-CB 4.33Å; M188-L271 HydrophobicContact SD-CB 3.75Å; M188-R272 VanDerWaalsContact SD-O 3.36Å; M188-W273 HydrophobicContact CE-CB 3.67Å; M188-W273 HydrophobicContact SD-CB 4.38Å; M188-W273 PolarHBondContact SD-N 3.13Å; M188-W273 VanDerWaalsContact SD-N 3.36Å
189T94Very high93.5Very high34 Ų3469.2 Ų69.221%0.20937%0.37CS..EExtended strand (participates in β ladder)trans-119142172.950.80000109.3R201 W203T189-R201 PolarHBondContact N-O 3.47Å; T189-R201 PolarHBondContact O-N 3.23Å; T189-R201 WeakPolarHBondContact OG1-CB 3.49Å; T189-R201 PolarHBondContact OG1-O 2.88Å; T189-W203 PolarHBondContact OG1-NE1 3.28Å
190H93.8Very high93.6Very high66 Ų6665.1 Ų65.131%0.30635%0.35SS..EExtended strand (participates in β ladder)trans-119.7128.4177.9166.1-78.9000108.9A198 L200 W273H190-A198 VanDerWaalsContact NE2-CB 3.25Å; H190-A198 WeakPolarHBondContact NE2-CB 3.22Å; H190-L200 HydrophobicContact CB-CD2 3.97Å; H190-W273 HydrophobicContact CB-CZ2 4.11Å; H190-W273 VanDerWaalsContact CB-NE1 3.26Å; H190-W273 AromaticContact CD2-CZ2 3.96Å; H190-W273 AromaticContact CG-CE2 3.97Å; H190-W273 AromaticContact CG-CZ2 3.92Å
191H91.7Very high93.7Very high87 Ų8763.6 Ų63.640%0.40335%0.345SS..EExtended strand (participates in β ladder)trans-127.2112.8178.1-59.4-74.6000109V193 A198 T199 R201H191-V193 PolarHBondContact O-N 3.49Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 WeakPolarHBondContact O-CA 3.36Å; H191-T199 PolarHBondContact N-O 2.83Å; H191-T199 PolarHBondContact O-N 3.44Å; H191-R201 PolarHBondContact CD2-NH1 2.87Å; H191-R201 PolarHBondContact NE2-NH1 2.92Å
192A90.5Very high93.7Very high80 Ų8060.7 Ų60.766%0.66133%0.327SS*.EExtended strand (participates in β ladder)trans-65.8127.2172.600000109.3
193V87.6Confident93.8Very high91 Ų9160.2 Ų60.255%0.55232%0.321SS*.  trans-98.2-41.6177.2-179.80000109.7H191 E197 T199H191-V193 PolarHBondContact O-N 3.49Å; V193-E197 PolarHBondContact N-O 2.88Å; V193-T199 VanDerWaalsContact CG2-OG1 3.29Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.48Å
194S89.1Confident93.8Very high52 Ų5258 Ų5836%0.36430%0.302SS..SBendtrans-149-178.517471.80000110.3H196 E197S194-H196 PolarHBondContact O-N 3.45Å; S194-H196 PolarHBondContact OG-N 2.9Å; S194-H196 VanDerWaalsContact OG-N 3.15Å; S194-E197 PolarHBondContact N-O 2.88Å; S194-E197 PolarHBondContact O-N 3Å; S194-E197 VanDerWaalsContact O-O 3.06Å; S194-E197 PolarHBondContact OG-N 2.89Å
195D86.6Confident93.8Very high147 Ų14759.9 Ų59.979%0.78631%0.311SS*.SBendtrans-62.8-20172.1-65.8-23000112.6S250D195-S250 WeakPolarHBondContact O-CB 3.06Å; D195-S250 PolarHBondContact O-OG 3.08Å
196H90.7Very high93.8Very high145 Ų14555.1 Ų55.167%0.67130%0.296SS*.SBendtrans-106.1-15.2-174.9-56.6-48000114S194 P249 S250S194-H196 PolarHBondContact O-N 3.45Å; S194-H196 PolarHBondContact OG-N 2.9Å; S194-H196 VanDerWaalsContact OG-N 3.15Å; H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.48Å; H196-S250 PolarHBondContact O-N 3.16Å; H196-S250 PolarHBondContact O-OG 2.79Å
197E92.9Very high93.8Very high94 Ų9453.3 Ų53.344%0.43929%0.285SS..EExtended strand (participates in β ladder)trans-143.3143.5-171.7-66.5179.7174.200112.5V193 S194 V247 V248 S250V193-E197 PolarHBondContact N-O 2.88Å; S194-E197 PolarHBondContact N-O 2.88Å; S194-E197 PolarHBondContact O-N 3Å; S194-E197 VanDerWaalsContact O-O 3.06Å; S194-E197 PolarHBondContact OG-N 2.89Å; E197-V247 HydrophobicContact CB-CG1 4.18Å; E197-V247 HydrophobicContact CG-CG1 4.36Å; E197-V248 WeakPolarHBondContact CA-O 3.27Å; E197-S250 PolarHBondContact N-OG 3.38Å
198A92.6Very high93.9Very high1 Ų149.7 Ų49.71%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-131.2153.8171.100000110.7H190 H191 V248H190-A198 VanDerWaalsContact NE2-CB 3.25Å; H190-A198 WeakPolarHBondContact NE2-CB 3.22Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 WeakPolarHBondContact O-CA 3.36Å; A198-V248 HydrophobicContact CB-CG2 4.32Å; A198-V248 PolarHBondContact N-O 2.82Å; A198-V248 PolarHBondContact O-N 2.73Å
199T94.3Very high93.9Very high22 Ų2248.9 Ų48.914%0.13527%0.266CS..EExtended strand (participates in β ladder)trans-97.7120.7168.5-55.30000109H191 V193 A245 V246H191-T199 PolarHBondContact N-O 2.83Å; H191-T199 PolarHBondContact O-N 3.44Å; V193-T199 VanDerWaalsContact CG2-OG1 3.29Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.48Å; T199-A245 HydrophobicContact CG2-CB 3.89Å; T199-V246 WeakPolarHBondContact CA-O 3.04Å
200L95.2Very high94.1Very high0 Ų048 Ų480%026%0.261CS..EExtended strand (participates in β ladder)trans-94.3128.2165.7-66.1-178.8000108.9M188 H190 W216 A245 V246 V248 E253 W273M188-L200 HydrophobicContact CE-CD1 4.45Å; H190-L200 HydrophobicContact CB-CD2 3.97Å; L200-W216 HydrophobicContact CB-CH2 3.6Å; L200-W216 HydrophobicContact CB-CZ2 3.77Å; L200-W216 HydrophobicContact CD1-CH2 3.96Å; L200-W216 HydrophobicContact CD1-CZ3 4.37Å; L200-W216 HydrophobicContact CG-CH2 4.45Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.38Å; L200-V246 HydrophobicContact CB-CG1 4.19Å; L200-V246 PolarHBondContact N-O 2.97Å; L200-V246 PolarHBondContact O-N 3.03Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.25Å; L200-V248 HydrophobicContact CG-CG2 3.89Å; L200-E253 HydrophobicContact CD1-CB 4.02Å; L200-E253 HydrophobicContact CD1-CG 4.37Å; L200-E253 HydrophobicContact CD2-CG 4.33Å; L200-W273 HydrophobicContact CD1-CB 4.26Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.29Å; L200-W273 HydrophobicContact CD2-CG 3.76Å
201R96Very high94.2Very high47 Ų4751.7 Ų51.718%0.17728%0.279CS..EExtended strand (participates in β ladder)trans-122.1124.8175.4-179.3-175.2-60.2114.7-0.1110.3M188 T189 H191 W203 W243 A245M188-R201 WeakPolarHBondContact CA-O 3.33Å; T189-R201 PolarHBondContact N-O 3.47Å; T189-R201 PolarHBondContact O-N 3.23Å; T189-R201 WeakPolarHBondContact OG1-CB 3.49Å; T189-R201 PolarHBondContact OG1-O 2.88Å; H191-R201 PolarHBondContact CD2-NH1 2.87Å; H191-R201 PolarHBondContact NE2-NH1 2.92Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.06Å; R201-W243 HydrophobicContact CG-CE3 3.75Å; R201-W243 HydrophobicContact CG-CG 4.23Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.11Å
202C96.4Very high94.4Very high0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-98.5121.7177.2-177.30000109.2W216 W243 V244 C258C202-W216 HydrophobicContact CB-CZ2 3.95Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.36Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.42Å; C202-V244 HydrophobicContact CB-CG1 4.08Å; C202-V244 PolarHBondContact N-O 2.9Å; C202-V244 PolarHBondContact O-N 3.26Å; C202-C258 HydrophobicContact CB-CB 3.52Å; C202-C258 WeakPolarHBondContact CB-SG 3.43Å; C202-C258 WeakPolarHBondContact SG-CB 3.41Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.34Å
203W97.3Very high94.7Very high45 Ų4547 Ų4717%0.1725%0.248CC..EExtended strand (participates in β ladder)trans-106.2141.3-178.2-67.287.7000110.8T186 H187 T189 R201 L205 W243T186-W203 WeakPolarHBondContact CA-O 3.49Å; T186-W203 WeakPolarHBondContact CB-O 3.38Å; H187-W203 AromaticContact CD2-CD1 3.92Å; H187-W203 WeakPolarHBondContact CE1-CB 3.34Å; H187-W203 AromaticContact CE1-CD1 3.73Å; H187-W203 AromaticContact CE1-CG 3.44Å; H187-W203 VanDerWaalsContact CE1-CG 3.44Å; H187-W203 PolarHBondContact N-O 2.81Å; H187-W203 AromaticContact NE2-CD1 3.39Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.91Å; H187-W203 PolarHBondContact O-N 2.89Å; T189-W203 PolarHBondContact OG1-NE1 3.28Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; W203-L205 HydrophobicContact CE3-CD2 4Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.37Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.78Å; W203-W243 HydrophobicContact CE3-CG 4.07Å; W203-W243 HydrophobicContact CG-CB 4.31Å; W203-W243 AromaticContact CH2-CD1 3.72Å; W203-W243 HydrophobicContact CH2-CG 4.27Å; W203-W243 HydrophobicContact CZ3-CB 4.3Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.02Å
204A98.1Very high95.1Very high0 Ų043.1 Ų43.10%022%0.224CC..EExtended strand (participates in β ladder)trans-123.7122.3163.100000107.9P184 T186 F207 I212 L214 Q241 K242P184-A204 HydrophobicContact CB-CB 3.86Å; T186-A204 HydrophobicContact CG2-CB 4.46Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.88Å; A204-F207 WeakPolarHBondContact O-CE1 3.37Å; A204-I212 HydrophobicContact CB-CD1 3.73Å; A204-L214 HydrophobicContact CB-CD1 4.1Å; A204-L214 HydrophobicContact CB-CD2 4.09Å; A204-Q241 CarbonylContact O-C 3.54Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.48Å; A204-K242 PolarHBondContact N-O 2.93Å; A204-K242 PolarHBondContact O-N 3.43Å; A204-K242 VanDerWaalsContact O-O 3.08Å
205L97.9Very high95.4Very high49 Ų4942.9 Ų42.926%0.25722%0.22SC..EExtended strand (participates in β ladder)trans-127155.8-175.8-58.4179.4000111.2K185 W203 F207 Q241K185-L205 HydrophobicContact CB-CB 4.45Å; K185-L205 PolarHBondContact N-O 2.62Å; K185-L205 PolarHBondContact O-N 2.72Å; W203-L205 HydrophobicContact CE3-CD2 4Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 2.97Å; L205-Q241 HydrophobicContact CD2-CB 3.6Å
206S97.4Very high95.8Very high42 Ų4236 Ų3629%0.29418%0.183SC..EExtended strand (participates in β ladder)trans54.242.1170.9-55.60000114.1T239 F240S206-T239 WeakPolarHBondContact CA-OG1 3.23Å; S206-F240 PolarHBondContact N-O 2.86Å
207F97.7Very high96Very high0 Ų031.1 Ų31.10%016%0.161CC..EExtended strand (participates in β ladder)trans-108157.3177.661-90.9000112.6D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262D182-F207 VanDerWaalsContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CA 3.41Å; D182-F207 WeakPolarHBondContact O-CB 3.44Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 4.01Å; P184-F207 HydrophobicContact CB-CG 4.2Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.88Å; A204-F207 WeakPolarHBondContact O-CE1 3.37Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 2.97Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.29Å; F207-I212 HydrophobicContact CD1-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CB 4.32Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.86Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.04Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.89Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; F207-T232 HydrophobicContact CE2-CG2 4.09Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; F207-T239 WeakPolarHBondContact O-CA 3.11Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.2Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.21Å; F207-F240 WeakPolarHBondContact CE1-O 3.45Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.48Å; F207-F240 PolarHBondContact O-N 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.29Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.64Å
208Y96.8Very high96.1Very high4 Ų430.4 Ų30.42%0.01615%0.154CC..BIsolated β-bridgetrans-151.7135.2173.6-179.1-85.2000109.3D29 T30 R180 T181 D182 G238 F240 H262D29-Y208 HydrophobicContact CB-CE2 4.48Å; T30-Y208 PolarHBondContact OG1-OH 2.7Å; R180-Y208 HydrophobicContact CG-CD1 3.81Å; R180-Y208 HydrophobicContact CG-CE1 4.26Å; R180-Y208 WeakPolarHBondContact O-CD1 3.32Å; T181-Y208 WeakPolarHBondContact CA-O 3.43Å; T181-Y208 WeakPolarHBondContact CG2-O 3.33Å; D182-Y208 PolarHBondContact N-O 3.48Å; D182-Y208 PolarHBondContact O-N 3.18Å; D182-Y208 VanDerWaalsContact O-N 3.13Å; Y208-G238 WeakPolarHBondContact CD2-O 3.13Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CE2-CE2 4.3Å; Y208-H262 PolarHBondContact O-CE1 3.39Å
209P96.1Very high96.1Very high21 Ų2135.2 Ų35.214%0.13618%0.18CC..SBendcis-76179.65.132.4-37.5000113.5D29 F207 E211 H262D29-P209 WeakPolarHBondContact OD2-CB 3.46Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.29Å; P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.74Å; P209-H262 PolarHBondContact O-NE2 3.42Å
210A96.8Very high95.9Very high14 Ų1436.5 Ų36.512%0.11620%0.198CC..SBendtrans-69.1-25.6-17600000113.7D29 I212 T232 F240D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 VanDerWaalsContact OD2-CB 3.3Å; D29-A210 WeakPolarHBondContact OD2-CB 3.22Å; D29-A210 PolarHBondContact OD2-N 3.25Å; A210-I212 PolarHBondContact O-N 3.1Å; A210-I212 VanDerWaalsContact O-N 3.16Å; A210-T232 HydrophobicContact CB-CG2 4.21Å; A210-T232 WeakPolarHBondContact O-CG2 3.38Å; A210-F240 HydrophobicContact CB-CD1 3.69Å; A210-F240 HydrophobicContact CB-CD2 3.72Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.71Å; A210-F240 HydrophobicContact CB-CG 3.74Å; A210-F240 HydrophobicContact CB-CZ 3.72Å
211E96.4Very high95.7Very high144 Ų14442.8 Ų42.867%0.67323%0.227SC*.  trans-64.4114.6178.9-171.859.3-145.800110.3P209 H262P209-E211 VanDerWaalsContact C-N 3.3Å; P209-E211 PolarHBondContact O-N 2.74Å; E211-H262 PolarHBondContact O-CD2 2.67Å
212I97Very high95.5Very high11 Ų1145.2 Ų45.26%0.05624%0.243CC..  trans-151.2141.8-179.2-163.6171.1000109.4P184 A204 F207 A210 L214 K242 V260 Q261 H262P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.11Å; A204-I212 HydrophobicContact CB-CD1 3.73Å; F207-I212 HydrophobicContact CD1-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CB 4.32Å; F207-I212 HydrophobicContact CD2-CD1 4.01Å; F207-I212 HydrophobicContact CE1-CD1 3.86Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.75Å; F207-I212 HydrophobicContact CE2-CD1 3.94Å; F207-I212 HydrophobicContact CE2-CG1 4.42Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.04Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.89Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; A210-I212 PolarHBondContact O-N 3.1Å; A210-I212 VanDerWaalsContact O-N 3.16Å; I212-L214 HydrophobicContact CB-CD1 4.42Å; I212-L214 HydrophobicContact CD1-CD1 3.62Å; I212-L214 HydrophobicContact CG1-CD1 3.58Å; I212-L214 HydrophobicContact CG2-CD1 4.07Å; I212-K242 HydrophobicContact CG2-CB 4.2Å; I212-K242 HydrophobicContact CG2-CD 3.52Å; I212-V260 HydrophobicContact CD1-CG1 4.02Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.35Å; I212-H262 HydrophobicContact CD1-CB 4.23Å; I212-H262 HydrophobicContact CG1-CB 4.01Å
213T96.4Very high95.1Very high58 Ų5846.1 Ų46.136%0.35625%0.248SC..EExtended strand (participates in β ladder)trans-114.1123.4174.5-61.60000110.1T215 V260 Q261T213-T215 HydrophobicContact CG2-CG2 4.05Å; T213-V260 WeakPolarHBondContact O-CA 3.45Å; T213-Q261 PolarHBondContact N-O 3.08Å; T213-Q261 PolarHBondContact O-N 2.92Å
214L95.8Very high94Very high10 Ų1049.3 Ų49.35%0.05227%0.272CS..EExtended strand (participates in β ladder)trans-119.7122.3174.5-8864.1000108.3A204 I212 K242 V244 H259 V260A204-L214 HydrophobicContact CB-CD1 4.1Å; A204-L214 HydrophobicContact CB-CD2 4.09Å; I212-L214 HydrophobicContact CB-CD1 4.42Å; I212-L214 HydrophobicContact CD1-CD1 3.62Å; I212-L214 HydrophobicContact CG1-CD1 3.58Å; I212-L214 HydrophobicContact CG2-CD1 4.07Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.38Å; L214-K242 HydrophobicContact CD2-CG 4.4Å; L214-V244 HydrophobicContact CB-CB 4.29Å; L214-V244 HydrophobicContact CB-CG1 3.77Å; L214-V244 HydrophobicContact CD2-CG1 4.22Å; L214-V244 HydrophobicContact CG-CG1 4.45Å; L214-H259 WeakPolarHBondContact CA-O 2.84Å; L214-V260 HydrophobicContact CD1-CG1 3.98Å; L214-V260 HydrophobicContact CG-CG2 4.3Å
215T95.1Very high92.7Very high46 Ų4658 Ų5828%0.28231%0.313SS..EExtended strand (participates in β ladder)trans-133.2154177.557.40000111.7T213 C258 H259T213-T215 HydrophobicContact CG2-CG2 4.05Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.43Å; T215-H259 PolarHBondContact N-O 3.28Å; T215-H259 PolarHBondContact O-N 2.88Å
216W95.4Very high91.4Very high2 Ų260.7 Ų60.71%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-104.8139.3170.5-82.5106.8000110.4M188 L200 C202 Q223 T227 V244 V246 T257 C258M188-W216 HydrophobicContact CE-CH2 3.31Å; M188-W216 HydrophobicContact CE-CZ2 4.17Å; M188-W216 HydrophobicContact CE-CZ3 4.06Å; L200-W216 HydrophobicContact CB-CH2 3.6Å; L200-W216 HydrophobicContact CB-CZ2 3.77Å; L200-W216 HydrophobicContact CD1-CH2 3.96Å; L200-W216 HydrophobicContact CD1-CZ3 4.37Å; L200-W216 HydrophobicContact CG-CH2 4.45Å; C202-W216 HydrophobicContact CB-CZ2 3.95Å; W216-Q223 HydrophobicContact CB-CB 4.14Å; W216-Q223 PolarHBondContact O-N 3.27Å; W216-T227 HydrophobicContact CB-CG2 3.9Å; W216-T227 HydrophobicContact CG-CG2 4.05Å; W216-V244 PolarHBondContact NE1-O 3.43Å; W216-V246 HydrophobicContact CD2-CB 4.23Å; W216-V246 HydrophobicContact CD2-CG1 3.53Å; W216-V246 VanDerWaalsContact CE2-CG1 3.47Å; W216-V246 HydrophobicContact CE3-CG1 3.95Å; W216-V246 HydrophobicContact CG-CB 4.04Å; W216-V246 HydrophobicContact CG-CG1 3.87Å; W216-V246 HydrophobicContact CH2-CG1 4.1Å; W216-V246 HydrophobicContact CZ2-CG1 3.78Å; W216-V246 HydrophobicContact CZ3-CG1 4.23Å; W216-T257 WeakPolarHBondContact CA-O 3.28Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.28Å; W216-C258 HydrophobicContact CD2-CB 4.29Å; W216-C258 HydrophobicContact CE3-CB 4.15Å; W216-C258 HydrophobicContact CH2-CB 4.23Å; W216-C258 HydrophobicContact CZ2-CB 4.29Å; W216-C258 HydrophobicContact CZ3-CB 4.11Å
217Q95.2Very high90.6Very high43 Ų4360.4 Ų60.420%0.20132%0.324CS..EExtended strand (participates in β ladder)trans-122.9146.6168.6-69-173.3-7.900110.1E221 D222 Y256 T257 H259Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 VanDerWaalsContact CA-O 3.26Å; Q217-E221 WeakPolarHBondContact CA-O 3.29Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.3Å; Q217-D222 PolarHBondContact NE2-OD1 2.99Å; Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.42Å; Q217-T257 PolarHBondContact N-O 3.06Å; Q217-T257 PolarHBondContact O-N 3.08Å; Q217-H259 PolarHBondContact OE1-CE1 3.38Å; Q217-H259 PolarHBondContact OE1-NE2 3.19Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.15Å
218R94.6Very high90.1Very high80 Ų8065.8 Ų65.830%0.30235%0.349SS..EExtended strand (participates in β ladder)trans-117.9117.5167.8-178-178.967.4-165.8-4.4108.2G220 E221 Q223 R255 Y256R218-G220 PolarHBondContact O-N 3.48Å; R218-E221 PolarHBondContact N-O 2.88Å; R218-E221 PolarHBondContact O-N 2.81Å; R218-Q223 HydrophobicContact CB-CG 4.04Å; R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.34Å; R218-Y256 HydrophobicContact CB-CD1 4.16Å; R218-Y256 HydrophobicContact CB-CE1 4.02Å; R218-Y256 WeakPolarHBondContact CD-OH 3.49Å; R218-Y256 HydrophobicContact CG-CD2 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.26Å; R218-Y256 HydrophobicContact CG-CE2 4.13Å
219D92.5Very high89.5Confident101 Ų10170.2 Ų70.254%0.5437%0.373SS..THydrogen-bonded Turntrans50.129.8-175.6-52.3-51.1000114.3R255D219-R255 PolarHBondContact N-O 2.84Å; D219-R255 IonicContact OD1-NE 3.51Å; D219-R255 PolarHBondContact OD1-NE 3.37Å; D219-R255 IonicContact OD2-CZ 3.09Å; D219-R255 IonicContact OD2-NE 3.67Å; D219-R255 PolarHBondContact OD2-NE 3.43Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.24Å
220G89.4Confident89.3Confident50 Ų5071 Ų7152%0.51538%0.377SS..THydrogen-bonded Turntrans92.2-2-178.100000115.6R218R218-G220 PolarHBondContact O-N 3.48Å
221E92.1Very high89Confident131 Ų13178.4 Ų78.461%0.61241%0.409SS*.EExtended strand (participates in β ladder)trans-98.5127.3175.8-64.3-175.3167.800111.8Q217 R218 Q223Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 VanDerWaalsContact CA-O 3.26Å; Q217-E221 WeakPolarHBondContact CA-O 3.29Å; R218-E221 PolarHBondContact N-O 2.88Å; R218-E221 PolarHBondContact O-N 2.81Å; E221-Q223 PolarHBondContact O-NE2 2.95Å; E221-Q223 VanDerWaalsContact O-NE2 3.09Å
222D91.4Very high89Confident98 Ų9873.7 Ų73.752%0.52439%0.391SS..EExtended strand (participates in β ladder)trans-60.5136.2-179.5-70.8-26.1000112.5Q217Q217-D222 WeakPolarHBondContact CG-OD1 3.3Å; Q217-D222 PolarHBondContact NE2-OD1 2.99Å
223Q86.8Confident89Confident19 Ų1977.4 Ų77.49%0.08940%0.404CS..  trans-110.686.8178.1-57.3-59-6100109.8W216 R218 E221 T227 Y256W216-Q223 HydrophobicContact CB-CB 4.14Å; W216-Q223 PolarHBondContact O-N 3.27Å; R218-Q223 HydrophobicContact CB-CG 4.04Å; E221-Q223 PolarHBondContact O-NE2 2.95Å; E221-Q223 VanDerWaalsContact O-NE2 3.09Å; Q223-T227 HydrophobicContact CB-CG2 4.4Å; Q223-T227 WeakPolarHBondContact O-CG2 3.39Å; Q223-T227 PolarHBondContact O-OG1 3.17Å; Q223-Y256 HydrophobicContact CG-CE1 4.46Å
224T75.9Confident89Confident113 Ų11379.1 Ų79.169%0.69342%0.416SS*.  trans-97.1-22.6-176.556.40000114.6T227T224-T227 PolarHBondContact O-OG1 3.34Å
225Q69.3Low89Confident181 Ų18180.9 Ų80.985%0.84643%0.432SS*.SBendtrans-91.3-30.1-177.7-70-174.4400113.3T227Q225-T227 VanDerWaalsContact C-N 3.33Å
226D70.9Confident88.8Confident106 Ų10682.4 Ų82.457%0.56746%0.457SS*.SBendtrans-96.817.1-176.2-59.8-37.7000112.8
227T80.1Confident88.7Confident36 Ų3687.3 Ų87.322%0.22148%0.483CS..EExtended strand (participates in β ladder)trans-109.6127-176.244.30000113.2W216 Q223 T224 Q225 L229 V244 A245 V246W216-T227 HydrophobicContact CB-CG2 3.9Å; W216-T227 HydrophobicContact CG-CG2 4.05Å; Q223-T227 HydrophobicContact CB-CG2 4.4Å; Q223-T227 WeakPolarHBondContact O-CG2 3.39Å; Q223-T227 PolarHBondContact O-OG1 3.17Å; T224-T227 PolarHBondContact O-OG1 3.34Å; Q225-T227 VanDerWaalsContact C-N 3.33Å; T227-L229 PolarHBondContact O-N 3.2Å; T227-V244 HydrophobicContact CG2-CG2 4.17Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.28Å; T227-V246 HydrophobicContact CG2-CB 4.08Å; T227-V246 HydrophobicContact CG2-CG2 4.27Å
228E87.2Confident88.5Confident113 Ų11387.1 Ų87.153%0.52849%0.493SS..EExtended strand (participates in β ladder)trans-85105.5167.2-172-173.7-175.700108.1W243 V244 A245E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 VanDerWaalsContact CD-CH2 3.44Å; E228-W243 HydrophobicContact CG-CH2 3.89Å; E228-W243 HydrophobicContact CG-CZ3 3.91Å; E228-W243 WeakPolarHBondContact O-CZ3 3.47Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.18Å; E228-V244 CarbonylContact O-C 3.45Å; E228-V244 WeakPolarHBondContact O-CA 3.25Å; E228-A245 HydrophobicContact CB-CB 4.32Å; E228-A245 PolarHBondContact N-O 3.46Å; E228-A245 PolarHBondContact O-N 3.44Å
229L85.8Confident88.6Confident97 Ų9784 Ų8451%0.50848%0.483SS..EExtended strand (participates in β ladder)trans-104.8127.3178.4-176.169.7000110T227 V244T227-L229 PolarHBondContact O-N 3.2Å; L229-V244 HydrophobicContact CB-CG2 4.43Å; L229-V244 HydrophobicContact CD1-CB 3.84Å; L229-V244 HydrophobicContact CD1-CG2 3.9Å
230V90.4Very high88.8Confident39 Ų3980.3 Ų80.324%0.23646%0.462CS..PPolyproline II helixtrans-97.5141.4169.9177.10000110.2K242 W243V230-K242 WeakPolarHBondContact O-CE 3.42Å; V230-K242 WeakPolarHBondContact O-CG 3.39Å; V230-K242 PolarHBondContact O-NZ 3.45Å; V230-W243 HydrophobicContact CB-CD2 4.33Å; V230-W243 HydrophobicContact CB-CZ2 4.23Å; V230-W243 HydrophobicContact CG2-CD2 4.01Å; V230-W243 HydrophobicContact CG2-CE3 4.31Å; V230-W243 HydrophobicContact CG2-CH2 3.53Å; V230-W243 HydrophobicContact CG2-CZ2 3.16Å; V230-W243 HydrophobicContact CG2-CZ3 4.08Å; V230-W243 PolarHBondContact N-O 3.26Å
231E92.3Very high89.2Confident168 Ų16880.1 Ų80.179%0.78545%0.448SS*.PPolyproline II helixtrans-56.3151.4171.9-68.3-174.2167.600111.2R233E231-R233 PolarHBondContact O-N 2.82Å
232T96.1Very high89.5Confident46 Ų4674.9 Ų74.928%0.28242%0.423SS..PPolyproline II helixtrans-65129.7176.2-56.50000108.9F207 A210 F240 K242F207-T232 HydrophobicContact CE2-CG2 4.09Å; F207-T232 HydrophobicContact CZ-CG2 3.86Å; A210-T232 HydrophobicContact CB-CG2 4.21Å; A210-T232 WeakPolarHBondContact O-CG2 3.38Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.89Å; T232-F240 HydrophobicContact CG2-CG 4.08Å; T232-K242 WeakPolarHBondContact OG1-CD 3.03Å
233R95.9Very high89.7Confident88 Ų8871.2 Ų71.233%0.33240%0.402SS..EExtended strand (participates in β ladder)trans-125.4146-176.168.2-170.2-177.4-158.40.6111.5E231 F240 Q241E231-R233 PolarHBondContact O-N 2.82Å; R233-F240 WeakPolarHBondContact O-CA 3.34Å; R233-Q241 HydrophobicContact CG-CG 3.52Å; R233-Q241 PolarHBondContact N-O 2.9Å; R233-Q241 WeakPolarHBondContact O-CG 3.4Å; R233-Q241 PolarHBondContact O-N 2.04Å
234P96.3Very high90.2Very high95 Ų9570.4 Ų70.462%0.61740%0.398SS*.EExtended strand (participates in β ladder)trans-68.4145.8177.528.3-34.3000111.2F240P234-F240 HydrophobicContact CB-CE1 4.31Å
235A95.6Very high91.1Very high47 Ų4765.1 Ų65.139%0.38837%0.366SS..  trans-89.4-15.9172.900000113T239A235-T239 WeakPolarHBondContact CB-O 3.27Å; A235-T239 PolarHBondContact N-O 3.02Å
236G92.4Very high92.3Very high77 Ų7756.6 Ų56.679%0.79433%0.326SS*.SBendtrans96.5-9178.800000114.9
237D91.8Very high93.4Very high105 Ų10555 Ų5556%0.56132%0.32SS*.SBendtrans-105.114.2177.262.4-1.8000112.9T239D237-T239 VanDerWaalsContact C-N 3.35Å; D237-T239 WeakPolarHBondContact OD1-CB 3.14Å; D237-T239 PolarHBondContact OD1-N 3.42Å; D237-T239 PolarHBondContact OD1-OG1 3.48Å
238G91.6Very high94Very high40 Ų4053.3 Ų53.341%0.41231%0.31SS..SBendtrans83.26.6-173.700000114.5R180 Y208R180-G238 PolarHBondContact NH2-O 3.29Å; Y208-G238 WeakPolarHBondContact CD2-O 3.13Å
239T96.4Very high94.3Very high14 Ų1450.1 Ų50.19%0.08630%0.299CS..  trans-109172.6170.773.50000112.1S206 F207 A235 D237S206-T239 WeakPolarHBondContact CA-OG1 3.23Å; F207-T239 WeakPolarHBondContact O-CA 3.11Å; A235-T239 WeakPolarHBondContact CB-O 3.27Å; A235-T239 PolarHBondContact N-O 3.02Å; D237-T239 VanDerWaalsContact C-N 3.35Å; D237-T239 WeakPolarHBondContact OD1-CB 3.14Å; D237-T239 PolarHBondContact OD1-N 3.42Å; D237-T239 PolarHBondContact OD1-OG1 3.48Å
240F97.8Very high94.5Very high23 Ų2348.1 Ų48.110%0.10129%0.293CS..EExtended strand (participates in β ladder)trans-120.2161.9-177.8-63.4-85.2000112.2D29 S206 F207 Y208 A210 T232 R233 P234D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.52Å; S206-F240 PolarHBondContact N-O 2.86Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.2Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.21Å; F207-F240 WeakPolarHBondContact CE1-O 3.45Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.48Å; F207-F240 PolarHBondContact O-N 3.09Å; Y208-F240 HydrophobicContact CD2-CD2 4.36Å; Y208-F240 AromaticContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CD2-CE2 3.9Å; Y208-F240 HydrophobicContact CE2-CE2 4.3Å; A210-F240 HydrophobicContact CB-CD1 3.69Å; A210-F240 HydrophobicContact CB-CD2 3.72Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.71Å; A210-F240 HydrophobicContact CB-CG 3.74Å; A210-F240 HydrophobicContact CB-CZ 3.72Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.89Å; T232-F240 HydrophobicContact CG2-CG 4.08Å; R233-F240 WeakPolarHBondContact O-CA 3.34Å; P234-F240 HydrophobicContact CB-CE1 4.31Å
241Q97.6Very high94.4Very high46 Ų4649.4 Ų49.422%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-140146.6173.549.7171.9-34.600109.8A204 L205 R233A204-Q241 CarbonylContact O-C 3.54Å; A204-Q241 VanDerWaalsContact O-CA 3.29Å; A204-Q241 WeakPolarHBondContact O-CA 3.48Å; L205-Q241 HydrophobicContact CD2-CB 3.6Å; R233-Q241 HydrophobicContact CG-CG 3.52Å; R233-Q241 PolarHBondContact N-O 2.9Å; R233-Q241 WeakPolarHBondContact O-CG 3.4Å; R233-Q241 PolarHBondContact O-N 2.04Å
242K97.8Very high94.4Very high21 Ų2144.5 Ų44.59%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-151152.7177.2-164.6-177.3-175.968.60108.9A204 F207 I212 L214 V230 T232A204-K242 PolarHBondContact N-O 2.93Å; A204-K242 PolarHBondContact O-N 3.43Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.29Å; F207-K242 HydrophobicContact CZ-CB 4.08Å; I212-K242 HydrophobicContact CG2-CB 4.2Å; I212-K242 HydrophobicContact CG2-CD 3.52Å; L214-K242 HydrophobicContact CD1-CD 4.28Å; L214-K242 HydrophobicContact CD2-CB 4.38Å; L214-K242 HydrophobicContact CD2-CG 4.4Å; V230-K242 WeakPolarHBondContact O-CE 3.42Å; V230-K242 WeakPolarHBondContact O-CG 3.39Å; V230-K242 PolarHBondContact O-NZ 3.45Å; T232-K242 WeakPolarHBondContact OG1-CD 3.03Å
243W96.7Very high94.2Very high21 Ų2143.2 Ų43.28%0.0828%0.282CS..EExtended strand (participates in β ladder)trans-144.8156.7168.759.6-95.9000110.9R201 C202 W203 E228 V230 A245R201-W243 HydrophobicContact CG-CB 4.03Å; R201-W243 HydrophobicContact CG-CD2 4.06Å; R201-W243 HydrophobicContact CG-CE3 3.75Å; R201-W243 HydrophobicContact CG-CG 4.23Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.36Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 3.42Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.37Å; W203-W243 HydrophobicContact CE3-CB 3.83Å; W203-W243 AromaticContact CE3-CD1 3.78Å; W203-W243 HydrophobicContact CE3-CG 4.07Å; W203-W243 HydrophobicContact CG-CB 4.31Å; W203-W243 AromaticContact CH2-CD1 3.72Å; W203-W243 HydrophobicContact CH2-CG 4.27Å; W203-W243 HydrophobicContact CZ3-CB 4.3Å; W203-W243 AromaticContact CZ3-CD1 3.37Å; W203-W243 HydrophobicContact CZ3-CG 4.02Å; E228-W243 HydrophobicContact CB-CZ3 4.2Å; E228-W243 VanDerWaalsContact CD-CH2 3.44Å; E228-W243 HydrophobicContact CG-CH2 3.89Å; E228-W243 HydrophobicContact CG-CZ3 3.91Å; E228-W243 WeakPolarHBondContact O-CZ3 3.47Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.18Å; V230-W243 HydrophobicContact CB-CD2 4.33Å; V230-W243 HydrophobicContact CB-CZ2 4.23Å; V230-W243 HydrophobicContact CG2-CD2 4.01Å; V230-W243 HydrophobicContact CG2-CE3 4.31Å; V230-W243 HydrophobicContact CG2-CH2 3.53Å; V230-W243 HydrophobicContact CG2-CZ2 3.16Å; V230-W243 HydrophobicContact CG2-CZ3 4.08Å; V230-W243 PolarHBondContact N-O 3.26Å; W243-A245 HydrophobicContact CE3-CB 4.04Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
244V95.9Very high94Very high2 Ų243.6 Ų43.61%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-131.9134.7171.464.70000108.7C202 L214 W216 T227 E228 L229C202-V244 HydrophobicContact CB-CG1 4.08Å; C202-V244 PolarHBondContact N-O 2.9Å; C202-V244 PolarHBondContact O-N 3.26Å; L214-V244 HydrophobicContact CB-CB 4.29Å; L214-V244 HydrophobicContact CB-CG1 3.77Å; L214-V244 HydrophobicContact CD2-CG1 4.22Å; L214-V244 HydrophobicContact CG-CG1 4.45Å; W216-V244 PolarHBondContact NE1-O 3.43Å; T227-V244 HydrophobicContact CG2-CG2 4.17Å; E228-V244 CarbonylContact O-C 3.45Å; E228-V244 WeakPolarHBondContact O-CA 3.25Å; L229-V244 HydrophobicContact CB-CG2 4.43Å; L229-V244 HydrophobicContact CD1-CB 3.84Å; L229-V244 HydrophobicContact CD1-CG2 3.9Å
245A95.2Very high93.9Very high3 Ų344.2 Ų44.23%0.02528%0.278CS..EExtended strand (participates in β ladder)trans-119.4152.6178.700000111.6T199 L200 R201 T227 E228 W243T199-A245 HydrophobicContact CG2-CB 3.89Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.38Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.11Å; T227-A245 CarbonylContact C-O 3.57Å; T227-A245 WeakPolarHBondContact CA-O 3.28Å; E228-A245 HydrophobicContact CB-CB 4.32Å; E228-A245 PolarHBondContact N-O 3.46Å; E228-A245 PolarHBondContact O-N 3.44Å; W243-A245 HydrophobicContact CE3-CB 4.04Å; W243-A245 HydrophobicContact CZ3-CB 3.71Å
246V94.9Very high93.9Very high2 Ų242.3 Ų42.31%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-138.7141.7175.864.60000108.9T199 L200 W216 T227 V248 Y256T199-V246 WeakPolarHBondContact CA-O 3.04Å; L200-V246 HydrophobicContact CB-CG1 4.19Å; L200-V246 PolarHBondContact N-O 2.97Å; L200-V246 PolarHBondContact O-N 3.03Å; W216-V246 HydrophobicContact CD2-CB 4.23Å; W216-V246 HydrophobicContact CD2-CG1 3.53Å; W216-V246 VanDerWaalsContact CE2-CG1 3.47Å; W216-V246 HydrophobicContact CE3-CG1 3.95Å; W216-V246 HydrophobicContact CG-CB 4.04Å; W216-V246 HydrophobicContact CG-CG1 3.87Å; W216-V246 HydrophobicContact CH2-CG1 4.1Å; W216-V246 HydrophobicContact CZ2-CG1 3.78Å; W216-V246 HydrophobicContact CZ3-CG1 4.23Å; T227-V246 HydrophobicContact CG2-CB 4.08Å; T227-V246 HydrophobicContact CG2-CG2 4.27Å; V246-V248 HydrophobicContact CG1-CG1 3.74Å; V246-V248 HydrophobicContact CG2-CG1 4.43Å; V246-Y256 HydrophobicContact CG1-CD1 4.04Å; V246-Y256 HydrophobicContact CG1-CE1 4.5Å; V246-Y256 HydrophobicContact CG2-CD1 4.22Å; V246-Y256 HydrophobicContact CG2-CE1 3.94Å
247V93.8Very high94.1Very high71 Ų7139.2 Ų39.243%0.4323%0.226SC..EExtended strand (participates in β ladder)trans-85128.3170.5-178.40000108.2E197E197-V247 HydrophobicContact CB-CG1 4.18Å; E197-V247 HydrophobicContact CG-CG1 4.36Å
248V93.5Very high94.3Very high1 Ų134.2 Ų34.21%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-126.5144.3-177.1-52.60000110.3E197 A198 L200 V246 E253 Y256E197-V248 WeakPolarHBondContact CA-O 3.27Å; A198-V248 HydrophobicContact CB-CG2 4.32Å; A198-V248 PolarHBondContact N-O 2.82Å; A198-V248 PolarHBondContact O-N 2.73Å; L200-V248 HydrophobicContact CD1-CG1 4Å; L200-V248 HydrophobicContact CD1-CG2 4.03Å; L200-V248 HydrophobicContact CG-CG1 4.25Å; L200-V248 HydrophobicContact CG-CG2 3.89Å; V246-V248 HydrophobicContact CG1-CG1 3.74Å; V246-V248 HydrophobicContact CG2-CG1 4.43Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å
249P93.4Very high94.5Very high47 Ų4733.8 Ų33.831%0.30519%0.187SC..EExtended strand (participates in β ladder)trans-64.1139.5170.1-2032.2000111.1H196 G251 Q252H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.48Å; P249-G251 PolarHBondContact O-N 3.42Å; P249-Q252 HydrophobicContact CB-CB 4.37Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.38Å; P249-Q252 PolarHBondContact O-N 2.99Å
250S89.3Confident94.6Very high55 Ų5533.1 Ų33.139%0.38518%0.183SC..THydrogen-bonded Turntrans-52.8129.7175.5-63.10000111D195 H196 E197 Q252 E253D195-S250 WeakPolarHBondContact O-CB 3.06Å; D195-S250 PolarHBondContact O-OG 3.08Å; H196-S250 PolarHBondContact O-N 3.16Å; H196-S250 PolarHBondContact O-OG 2.79Å; E197-S250 PolarHBondContact N-OG 3.38Å; S250-Q252 VanDerWaalsContact C-N 3.32Å; S250-E253 WeakPolarHBondContact CA-OE1 3.33Å
251G88.4Confident94.6Very high66 Ų6637 Ų3768%0.6820%0.201SC*.THydrogen-bonded Turntrans85.1-2.9-178.900000114.8P249 E253P249-G251 PolarHBondContact O-N 3.42Å; G251-E253 WeakPolarHBondContact CA-OE2 3.46Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.26Å; G251-E253 PolarHBondContact N-OE2 3.33Å
252Q92.4Very high94.6Very high64 Ų6435.6 Ų35.630%0.29919%0.194SC..  trans-104.25.4175.2-60.2-167.339.700113.3P249 S250 Q254 R255 Y256P249-Q252 HydrophobicContact CB-CB 4.37Å; P249-Q252 HydrophobicContact CB-CG 4.14Å; P249-Q252 WeakPolarHBondContact O-CB 3.38Å; P249-Q252 PolarHBondContact O-N 2.99Å; S250-Q252 VanDerWaalsContact C-N 3.32Å; Q252-Q254 PolarHBondContact O-N 3.32Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q252-R255 WeakPolarHBondContact O-CB 3.3Å; Q252-R255 PolarHBondContact O-N 3.05Å; Q252-Y256 HydrophobicContact CB-CE2 4.44Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.39Å
253E92.2Very high94.5Very high19 Ų1941.7 Ų41.79%0.08922%0.223CC..G310 helixtrans-54.5-36.4-174.7-59.378.5-174.300112.1L200 V248 S250 G251 R255 Y256 W273L200-E253 HydrophobicContact CD1-CB 4.02Å; L200-E253 HydrophobicContact CD1-CG 4.37Å; L200-E253 HydrophobicContact CD2-CG 4.33Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.33Å; G251-E253 WeakPolarHBondContact CA-OE2 3.46Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 3.26Å; G251-E253 PolarHBondContact N-OE2 3.33Å; E253-R255 PolarHBondContact O-N 2.97Å; E253-Y256 PolarHBondContact O-N 3.31Å; E253-Y256 VanDerWaalsContact O-N 3.15Å; E253-W273 HydrophobicContact CB-CD2 4.25Å; E253-W273 HydrophobicContact CB-CE3 3.47Å; E253-W273 VanDerWaalsContact CB-CE3 3.47Å; E253-W273 HydrophobicContact CB-CZ3 3.95Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.01Å
254Q91.8Very high94.4Very high97 Ų9741.7 Ų41.745%0.45323%0.23SC..G310 helixtrans-68-18.9-179.3-65-58.3-40.700114.3Q252 Y256 W273Q252-Q254 PolarHBondContact O-N 3.32Å; Q252-Q254 VanDerWaalsContact O-N 3.1Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å; Q254-W273 PolarHBondContact NE2-O 2.84Å
255R94.2Very high94.4Very high107 Ų10742.8 Ų42.840%0.40424%0.235SC..G310 helixtrans-77.9-16.2175.9-63.4175.467.1-177.48.6112.2R218 D219 Q252 E253R218-R255 WeakPolarHBondContact CA-O 3.48Å; R218-R255 HydrophobicContact CG-CB 4.34Å; D219-R255 PolarHBondContact N-O 2.84Å; D219-R255 IonicContact OD1-NE 3.51Å; D219-R255 PolarHBondContact OD1-NE 3.37Å; D219-R255 IonicContact OD2-CZ 3.09Å; D219-R255 IonicContact OD2-NE 3.67Å; D219-R255 PolarHBondContact OD2-NE 3.43Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.24Å; Q252-R255 WeakPolarHBondContact O-CB 3.3Å; Q252-R255 PolarHBondContact O-N 3.05Å; E253-R255 PolarHBondContact O-N 2.97Å
256Y94.8Very high94.4Very high8 Ų849 Ų493%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-97.7130-177.4-69.4-102.8000110.7Q217 R218 Q223 V246 V248 Q252 E253 Q254Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.42Å; R218-Y256 HydrophobicContact CB-CD1 4.16Å; R218-Y256 HydrophobicContact CB-CE1 4.02Å; R218-Y256 WeakPolarHBondContact CD-OH 3.49Å; R218-Y256 HydrophobicContact CG-CD2 4.46Å; R218-Y256 HydrophobicContact CG-CE1 4.26Å; R218-Y256 HydrophobicContact CG-CE2 4.13Å; Q223-Y256 HydrophobicContact CG-CE1 4.46Å; V246-Y256 HydrophobicContact CG1-CD1 4.04Å; V246-Y256 HydrophobicContact CG1-CE1 4.5Å; V246-Y256 HydrophobicContact CG2-CD1 4.22Å; V246-Y256 HydrophobicContact CG2-CE1 3.94Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.69Å; V248-Y256 HydrophobicContact CG1-CD2 3.59Å; V248-Y256 HydrophobicContact CG1-CE1 3.68Å; V248-Y256 HydrophobicContact CG1-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å; Q252-Y256 HydrophobicContact CB-CE2 4.44Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.39Å; E253-Y256 PolarHBondContact O-N 3.31Å; E253-Y256 VanDerWaalsContact O-N 3.15Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å
257T96.3Very high94.5Very high11 Ų1156.6 Ų56.67%0.06731%0.308CS..EExtended strand (participates in β ladder)trans-123.9133.3177.148.30000110.4W216 Q217 H259 T270 L271 R272W216-T257 WeakPolarHBondContact CA-O 3.28Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.28Å; Q217-T257 PolarHBondContact N-O 3.06Å; Q217-T257 PolarHBondContact O-N 3.08Å; T257-H259 PolarHBondContact OG1-NE2 3.11Å; T257-T270 HydrophobicContact CG2-CG2 3.96Å; T257-L271 CarbonylContact C-O 3.5Å; T257-L271 WeakPolarHBondContact CA-O 3.23Å; T257-R272 HydrophobicContact CG2-CG 3.48Å; T257-R272 VanDerWaalsContact CG2-CG 3.48Å; T257-R272 VanDerWaalsContact CG2-NE 3.27Å
258C96.3Very high94.6Very high0 Ų057.1 Ų57.10%031%0.313CS..EExtended strand (participates in β ladder)trans-93.9127.6171.3174.10000109.6C202 T215 W216 T270 L271C202-C258 HydrophobicContact CB-CB 3.52Å; C202-C258 WeakPolarHBondContact CB-SG 3.43Å; C202-C258 WeakPolarHBondContact SG-CB 3.41Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.34Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.43Å; W216-C258 HydrophobicContact CD2-CB 4.29Å; W216-C258 HydrophobicContact CE3-CB 4.15Å; W216-C258 HydrophobicContact CH2-CB 4.23Å; W216-C258 HydrophobicContact CZ2-CB 4.29Å; W216-C258 HydrophobicContact CZ3-CB 4.11Å; C258-T270 CarbonylContact O-C 3.56Å; C258-T270 WeakPolarHBondContact O-CA 3.35Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.82Å; C258-L271 PolarHBondContact O-N 3.12Å
259H96.3Very high94.8Very high32 Ų3259.9 Ų59.915%0.14833%0.328CS..EExtended strand (participates in β ladder)trans-106.2129178-64.5-104000109.6L214 T215 Q217 T257 L269 T270L214-H259 WeakPolarHBondContact CA-O 2.84Å; T215-H259 PolarHBondContact N-O 3.28Å; T215-H259 PolarHBondContact O-N 2.88Å; Q217-H259 PolarHBondContact OE1-CE1 3.38Å; Q217-H259 PolarHBondContact OE1-NE2 3.19Å; Q217-H259 VanDerWaalsContact OE1-NE2 3.15Å; T257-H259 PolarHBondContact OG1-NE2 3.11Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; H259-T270 PolarHBondContact ND1-OG1 3.23Å
260V97.4Very high94.9Very high0 Ų061.4 Ų61.40%034%0.336CS..EExtended strand (participates in β ladder)trans-122.2119.8-178.3-173.90000108.9P184 T186 I212 T213 L214 L265 P268 L269 L271P184-V260 HydrophobicContact CG-CG1 4.01Å; T186-V260 HydrophobicContact CG2-CG1 4.32Å; T186-V260 HydrophobicContact CG2-CG2 4.17Å; I212-V260 HydrophobicContact CD1-CG1 4.02Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; T213-V260 WeakPolarHBondContact O-CA 3.45Å; L214-V260 HydrophobicContact CD1-CG1 3.98Å; L214-V260 HydrophobicContact CG-CG2 4.3Å; V260-L265 HydrophobicContact CG1-CD1 4.13Å; V260-P268 WeakPolarHBondContact O-CA 3.5Å; V260-L269 HydrophobicContact CB-CB 4.3Å; V260-L269 PolarHBondContact N-O 2.83Å; V260-L269 PolarHBondContact O-N 3.26Å; V260-L271 HydrophobicContact CG2-CD1 4.03Å
261Q97.9Very high95.2Very high104 Ų10460.5 Ų60.549%0.48633%0.326SS..EExtended strand (participates in β ladder)trans-115.8127.5173.6-52.7-178.21900109.1I212 T213 P268I212-Q261 VanDerWaalsContact CG1-O 3.32Å; I212-Q261 WeakPolarHBondContact CG1-O 3.35Å; T213-Q261 PolarHBondContact N-O 3.08Å; T213-Q261 PolarHBondContact O-N 2.92Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.16Å
262H97.6Very high95.5Very high16 Ų1664.9 Ų64.97%0.07432%0.322CS..  trans-153.9146.2-179.6-173.2-100.7000108.5D182 P184 F207 Y208 P209 E211 I212 G264 L265D182-H262 PolarHBondContact O-CE1 2.83Å; D182-H262 VanDerWaalsContact O-CE1 3.3Å; P184-H262 HydrophobicContact CG-CB 4.15Å; F207-H262 AromaticContact CD2-CD2 3.86Å; F207-H262 AromaticContact CD2-NE2 3.64Å; Y208-H262 PolarHBondContact O-CE1 3.39Å; P209-H262 PolarHBondContact O-NE2 3.42Å; E211-H262 PolarHBondContact O-CD2 2.67Å; I212-H262 HydrophobicContact CD1-CB 4.23Å; I212-H262 HydrophobicContact CG1-CB 4.01Å; H262-G264 WeakPolarHBondContact ND1-CA 3.22Å; H262-G264 PolarHBondContact ND1-N 3.15Å; H262-G264 PolarHBondContact O-N 3.47Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.03Å; H262-L265 PolarHBondContact O-N 2.87Å
263E95.2Very high95.4Very high150 Ų15063.9 Ų63.970%0.70132%0.316SS*.THydrogen-bonded Turntrans-60.5-28.9180-175.4174.317800112.7T181 L265T181-E263 HydrophobicContact CG2-CB 4.05Å; T181-E263 HydrophobicContact CG2-CG 4.12Å; E263-L265 PolarHBondContact O-N 2.83Å
264G94.9Very high95Very high21 Ų2170.7 Ų70.722%0.21635%0.348CS..THydrogen-bonded Turntrans-73.9-8.1177.400000113.9H262H262-G264 WeakPolarHBondContact ND1-CA 3.22Å; H262-G264 PolarHBondContact ND1-N 3.15Å; H262-G264 PolarHBondContact O-N 3.47Å
265L97.1Very high94.3Very high25 Ų2569.9 Ų69.913%0.13135%0.351CS..  trans-98.7125.9177.5-64.4170.7000110A183 P184 V260 H262 E263 K267 L269A183-L265 HydrophobicContact CB-CD2 4.01Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.39Å; P184-L265 HydrophobicContact CG-CG 4.19Å; V260-L265 HydrophobicContact CG1-CD1 4.13Å; H262-L265 HydrophobicContact CB-CD1 3.96Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.03Å; H262-L265 PolarHBondContact O-N 2.87Å; E263-L265 PolarHBondContact O-N 2.83Å; L265-K267 WeakPolarHBondContact CB-O 3.39Å; L265-K267 PolarHBondContact O-N 2.99Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.54Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.36Å; L265-L269 HydrophobicContact CG-CG 4.43Å
266P95.5Very high92.8Very high133 Ų13369.7 Ų69.786%0.86437%0.366SS*.SBendtrans-65.5-24.3177.627.1-34.8000112.5
267K96.2Very high90.5Very high162 Ų16274.8 Ų74.870%0.70440%0.403SS*.SBendtrans-145.9150.8173-62.8-174.8-176.8179.50109.1L265 L269L265-K267 WeakPolarHBondContact CB-O 3.39Å; L265-K267 PolarHBondContact O-N 2.99Å; K267-L269 PolarHBondContact O-N 2.8Å
268P96.6Very high88.1Confident81 Ų8182 Ų8253%0.52644%0.436SS..  trans-51.2136.3172.1-28.136.3000112V260 Q261V260-P268 WeakPolarHBondContact O-CA 3.5Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.16Å
269L96.9Very high85.6Confident60 Ų6087 Ų8731%0.31447%0.468SS..EExtended strand (participates in β ladder)trans-87.7143.6173.6-67.2176.4000109.9T186 H259 V260 L265 K267T186-L269 HydrophobicContact CG2-CD1 4.37Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; V260-L269 HydrophobicContact CB-CB 4.3Å; V260-L269 PolarHBondContact N-O 2.83Å; V260-L269 PolarHBondContact O-N 3.26Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.54Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.36Å; L265-L269 HydrophobicContact CG-CG 4.43Å; K267-L269 PolarHBondContact O-N 2.8Å
270T96.7Very high83.4Confident78 Ų7892 Ų9248%0.47950%0.501SS..EExtended strand (participates in β ladder)trans-123117.7171.2-56.70000108T257 C258 H259T257-T270 HydrophobicContact CG2-CG2 3.96Å; C258-T270 CarbonylContact O-C 3.56Å; C258-T270 WeakPolarHBondContact O-CA 3.35Å; H259-T270 PolarHBondContact ND1-OG1 3.23Å
271L95.2Very high81.2Confident36 Ų3697 Ų9719%0.18853%0.527CS..EExtended strand (participates in β ladder)trans-107.6138.1-177.5-61160.1000109.2T186 M188 T257 C258 V260T186-L271 HydrophobicContact CG2-CD1 4.08Å; M188-L271 HydrophobicContact CG-CB 4.33Å; M188-L271 HydrophobicContact SD-CB 3.75Å; T257-L271 CarbonylContact C-O 3.5Å; T257-L271 WeakPolarHBondContact CA-O 3.23Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 2.82Å; C258-L271 PolarHBondContact O-N 3.12Å; V260-L271 HydrophobicContact CG2-CD1 4.03Å
272R93.4Very high78.9Confident158 Ų15896.2 Ų96.260%0.59653%0.531SS*.EExtended strand (participates in β ladder)trans-118.5148.7168.6-73.5-177.1178.2156.70.5108.7M188 T257 E274M188-R272 VanDerWaalsContact SD-O 3.36Å; T257-R272 HydrophobicContact CG2-CG 3.48Å; T257-R272 VanDerWaalsContact CG2-CG 3.48Å; T257-R272 VanDerWaalsContact CG2-NE 3.27Å; R272-E274 PolarHBondContact O-N 2.72Å
273W91.3Very high77Confident44 Ų44101 Ų10117%0.16756%0.556CS.*  trans-68.6127174.3177.468.2000109.1M188 H190 L200 E253 Q254 P275M188-W273 HydrophobicContact CE-CB 3.67Å; M188-W273 HydrophobicContact SD-CB 4.38Å; M188-W273 PolarHBondContact SD-N 3.13Å; M188-W273 VanDerWaalsContact SD-N 3.36Å; H190-W273 HydrophobicContact CB-CZ2 4.11Å; H190-W273 VanDerWaalsContact CB-NE1 3.26Å; H190-W273 AromaticContact CD2-CZ2 3.96Å; H190-W273 AromaticContact CG-CE2 3.97Å; H190-W273 AromaticContact CG-CZ2 3.92Å; L200-W273 HydrophobicContact CD1-CB 4.26Å; L200-W273 HydrophobicContact CD2-CB 3.95Å; L200-W273 HydrophobicContact CD2-CD2 4.29Å; L200-W273 HydrophobicContact CD2-CG 3.76Å; E253-W273 HydrophobicContact CB-CD2 4.25Å; E253-W273 HydrophobicContact CB-CE3 3.47Å; E253-W273 VanDerWaalsContact CB-CE3 3.47Å; E253-W273 HydrophobicContact CB-CZ3 3.95Å; E253-W273 HydrophobicContact CG-CE3 3.89Å; E253-W273 HydrophobicContact CG-CZ3 4.01Å; Q254-W273 PolarHBondContact NE2-O 2.84Å; W273-P275 HydrophobicContact CE3-CG 4.32Å; W273-P275 HydrophobicContact CH2-CB 3.88Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.1Å; W273-P275 HydrophobicContact CZ2-CG 4.26Å; W273-P275 HydrophobicContact CZ3-CB 4.4Å; W273-P275 HydrophobicContact CZ3-CG 3.7Å
274E83.6Confident75Confident162 Ų16299.5 Ų99.576%0.75756%0.556SS**  trans-111.3126.9169.2-73.7-178.4177.300108.5R272 S276R272-E274 PolarHBondContact O-N 2.72Å; E274-S276 PolarHBondContact O-N 3.24Å
275P77.4Confident73.1Confident80 Ų80100.6 Ų100.652%0.51957%0.568SS.*  trans-57.2130171.3-14.423.8000108.8W273 S277W273-P275 HydrophobicContact CE3-CG 4.32Å; W273-P275 HydrophobicContact CH2-CB 3.88Å; W273-P275 HydrophobicContact CH2-CG 3.68Å; W273-P275 HydrophobicContact CZ2-CB 4.1Å; W273-P275 HydrophobicContact CZ2-CG 4.26Å; W273-P275 HydrophobicContact CZ3-CB 4.4Å; W273-P275 HydrophobicContact CZ3-CG 3.7Å; P275-S277 PolarHBondContact O-N 2.91Å
276S61.6Low71.5Confident103 Ų103104.1 Ų104.172%0.7259%0.586SS**  trans-61.8113.3178.774.80000109.2E274 Q278E274-S276 PolarHBondContact O-N 3.24Å; S276-Q278 PolarHBondContact O-N 3Å
277S48.1Very low69.9Low114 Ų114102.6 Ų102.680%0.79757%0.569SS**  trans-77.767.3167.260.40000107.8P275 P279P275-S277 PolarHBondContact O-N 2.91Å; S277-P279 WeakPolarHBondContact O-CD 3.32Å
278Q45.5Very low68.4Low163 Ų16397.2 Ų97.276%0.76256%0.555SS**  trans-69.1110.8156.1-80.3-167.9-20.800105.6S276 T280S276-Q278 PolarHBondContact O-N 3Å; Q278-T280 PolarHBondContact O-N 3.45Å
279P43.2Very low67.1Low106 Ų10694.8 Ų94.869%0.68855%0.545SS*.  trans-58.4117.8167.925-29.9000105.2S277 I281S277-P279 WeakPolarHBondContact O-CD 3.32Å; P279-I281 HydrophobicContact CG-CG1 4.49Å; P279-I281 PolarHBondContact O-N 2.72Å
280T50.2Low66Low136 Ų13697.5 Ų97.583%0.83456%0.559SS**  trans-63.883.5162.4-33.20000104.6Q278 P282Q278-T280 PolarHBondContact O-N 3.45Å; T280-P282 WeakPolarHBondContact O-CD 3.1Å
281I51.3Low64.8Low104 Ų10498.4 Ų98.453%0.53356%0.564SS.*  trans-54.3117169.2-63.6174.9000103.1P279 I283 I286P279-I281 HydrophobicContact CG-CG1 4.49Å; P279-I281 PolarHBondContact O-N 2.72Å; I281-I283 PolarHBondContact O-N 3.39Å; I281-I286 HydrophobicContact CG2-CD1 3.81Å
282P49.9Very low63.6Low88 Ų88102.5 Ų102.557%0.57159%0.586SS**  trans-71.689.4-178.128.5-30.8000105.8T280 V284 G285 I286T280-P282 WeakPolarHBondContact O-CD 3.1Å; P282-V284 PolarHBondContact O-N 3.16Å; P282-G285 PolarHBondContact O-N 3.38Å; P282-I286 PolarHBondContact O-N 3.09Å
283I56.8Low62.5Low117 Ų117102 Ų10260%0.659%0.588SS**Hα-helixtrans-52.5-29.7176.6-67.3169.9000109.2I281 G285 I286 I287I281-I283 PolarHBondContact O-N 3.39Å; I283-G285 PolarHBondContact O-N 3.18Å; I283-I286 PolarHBondContact O-N 2.82Å; I283-I287 HydrophobicContact CG2-CD1 3.78Å; I283-I287 HydrophobicContact CG2-CG1 4.41Å; I283-I287 VanDerWaalsContact O-CG1 3.29Å; I283-I287 WeakPolarHBondContact O-CG1 3.29Å; I283-I287 PolarHBondContact O-N 3.14Å; I283-I287 VanDerWaalsContact O-N 3.09Å
284V53.9Low61.5Low118 Ų118101.6 Ų101.672%0.71560%0.597SS**Hα-helixtrans-61.1-39.7173.4-1740000113.3P282 A288P282-V284 PolarHBondContact O-N 3.16Å; V284-A288 WeakPolarHBondContact O-CB 3.46Å; V284-A288 PolarHBondContact O-N 3.03Å
285G55.7Low61Low45 Ų4596.8 Ų96.846%0.46459%0.585SS.*Hα-helixtrans-70.3-35.9-179.800000113P282 I283 G289P282-G285 PolarHBondContact O-N 3.38Å; I283-G285 PolarHBondContact O-N 3.18Å; G285-G289 PolarHBondContact O-N 2.99Å
286I61.6Low61Low99 Ų9997.7 Ų97.751%0.50859%0.589SS.*Hα-helixtrans-70.9-41.9176.4-60.7176.2000110.4I281 P282 I283 G289 L290I281-I286 HydrophobicContact CG2-CD1 3.81Å; P282-I286 PolarHBondContact O-N 3.09Å; I283-I286 PolarHBondContact O-N 2.82Å; I286-G289 PolarHBondContact O-N 3.38Å; I286-L290 HydrophobicContact CG2-CD1 3.96Å; I286-L290 WeakPolarHBondContact O-CB 3.41Å; I286-L290 WeakPolarHBondContact O-CG 3.23Å; I286-L290 PolarHBondContact O-N 3.09Å
287I62.4Low61.6Low100 Ų10097.8 Ų97.851%0.51358%0.581SS.*Hα-helixtrans-65.2-45.9177-66.5170.2000110.8I283 G289 L290 V291I283-I287 HydrophobicContact CG2-CD1 3.78Å; I283-I287 HydrophobicContact CG2-CG1 4.41Å; I283-I287 VanDerWaalsContact O-CG1 3.29Å; I283-I287 WeakPolarHBondContact O-CG1 3.29Å; I283-I287 PolarHBondContact O-N 3.14Å; I283-I287 VanDerWaalsContact O-N 3.09Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.17Å; I287-L290 PolarHBondContact O-N 3.48Å; I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3Å; I287-V291 PolarHBondContact O-N 2.99Å
288A64.7Low62.6Low49 Ų4996.6 Ų96.641%0.40557%0.568SS.*Hα-helixtrans-61.1-41.917700000112V284 V291 L292V284-A288 WeakPolarHBondContact O-CB 3.46Å; V284-A288 PolarHBondContact O-N 3.03Å; A288-V291 PolarHBondContact O-N 3.4Å; A288-L292 WeakPolarHBondContact O-CB 3.41Å; A288-L292 WeakPolarHBondContact O-CG 3.43Å; A288-L292 PolarHBondContact O-N 3.07Å
289G68.9Low63.9Low30 Ų3090.8 Ų90.831%0.30955%0.553SS.*Hα-helixtrans-61.5-45.3175.300000112.9G285 I286 I287 L292 F293G285-G289 PolarHBondContact O-N 2.99Å; I286-G289 PolarHBondContact O-N 3.38Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.17Å; G289-L292 PolarHBondContact O-N 3.49Å; G289-F293 WeakPolarHBondContact O-CB 3.38Å; G289-F293 WeakPolarHBondContact O-CD2 3.42Å; G289-F293 PolarHBondContact O-N 2.89Å
290L73.8Confident65.4Low118 Ų11888.5 Ų88.562%0.61854%0.542SS*.Hα-helixtrans-67-38.6178.8-75169.4000112.8I286 I287 G294I286-L290 HydrophobicContact CG2-CD1 3.96Å; I286-L290 WeakPolarHBondContact O-CB 3.41Å; I286-L290 WeakPolarHBondContact O-CG 3.23Å; I286-L290 PolarHBondContact O-N 3.09Å; I287-L290 PolarHBondContact O-N 3.48Å; L290-G294 PolarHBondContact O-N 3.31Å
291V73.2Confident66.5Low97 Ų9786 Ų8659%0.58853%0.527SS*.Hα-helixtrans-65.7-43.5176.4171.70000110.8I287 A288 G294 A295I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3Å; I287-V291 PolarHBondContact O-N 2.99Å; A288-V291 PolarHBondContact O-N 3.4Å; V291-G294 PolarHBondContact O-N 2.86Å; V291-A295 WeakPolarHBondContact O-CB 3.48Å; V291-A295 PolarHBondContact O-N 3.24Å
292L69.6Low67.6Low121 Ų12184.8 Ų84.863%0.63452%0.524SS*.Hα-helixtrans-64.9-44.9176.7-74.4168.8000111.8A288 G289 G294 A295 V296A288-L292 WeakPolarHBondContact O-CB 3.41Å; A288-L292 WeakPolarHBondContact O-CG 3.43Å; A288-L292 PolarHBondContact O-N 3.07Å; G289-L292 PolarHBondContact O-N 3.49Å; L292-G294 PolarHBondContact O-N 3.34Å; L292-A295 PolarHBondContact O-N 3.16Å; L292-V296 WeakPolarHBondContact O-CG2 2.9Å; L292-V296 PolarHBondContact O-N 2.91Å
293F70.2Confident68.6Low149 Ų14983.3 Ų83.365%0.65452%0.52SS*.Hα-helixtrans-61.9-43.1175.6-100.4-84.4000112.2G289 V296 I297G289-F293 WeakPolarHBondContact O-CB 3.38Å; G289-F293 WeakPolarHBondContact O-CD2 3.42Å; G289-F293 PolarHBondContact O-N 2.89Å; F293-V296 PolarHBondContact O-N 3.33Å; F293-I297 WeakPolarHBondContact O-CG1 3.35Å; F293-I297 PolarHBondContact O-N 2.92Å
294G70.4Confident69.3Low34 Ų3480.5 Ų80.535%0.35151%0.513SS..Hα-helixtrans-59.6-45.6175.200000112.3L290 V291 L292 V296 I297 T298L290-G294 PolarHBondContact O-N 3.31Å; V291-G294 PolarHBondContact O-N 2.86Å; L292-G294 PolarHBondContact O-N 3.34Å; G294-V296 PolarHBondContact O-N 3.24Å; G294-I297 PolarHBondContact O-N 3.44Å; G294-T298 WeakPolarHBondContact O-CB 3.39Å; G294-T298 PolarHBondContact O-N 3.37Å; G294-T298 PolarHBondContact O-OG1 3.5Å
295A73.4Confident70.2Confident61 Ų6178.8 Ų78.850%0.50450%0.503SS..Hα-helixtrans-63.1-41.6178.300000112.6V291 L292 T298 G299V291-A295 WeakPolarHBondContact O-CB 3.48Å; V291-A295 PolarHBondContact O-N 3.24Å; L292-A295 PolarHBondContact O-N 3.16Å; A295-T298 PolarHBondContact O-N 3.21Å; A295-G299 PolarHBondContact O-N 3.29Å
296V76.5Confident71Confident100 Ų10082.9 Ų82.961%0.60651%0.512SS*.Hα-helixtrans-64.8-45.6178172.20000111.4L292 F293 G294 T298 G299 A300L292-V296 WeakPolarHBondContact O-CG2 2.9Å; L292-V296 PolarHBondContact O-N 2.91Å; F293-V296 PolarHBondContact O-N 3.33Å; G294-V296 PolarHBondContact O-N 3.24Å; V296-T298 VanDerWaalsContact C-N 3.35Å; V296-T298 PolarHBondContact O-N 3.04Å; V296-G299 PolarHBondContact O-N 3.48Å; V296-A300 WeakPolarHBondContact O-CB 3.39Å; V296-A300 PolarHBondContact O-N 3.48Å
297I73.4Confident71.4Confident105 Ų10588 Ų8854%0.53853%0.525SS..Hα-helixtrans-64.1-43.3178.4-68.3-172.6000110.5F293 G294 G299 A300 V301F293-I297 WeakPolarHBondContact O-CG1 3.35Å; F293-I297 PolarHBondContact O-N 2.92Å; G294-I297 PolarHBondContact O-N 3.44Å; I297-G299 PolarHBondContact O-N 2.9Å; I297-A300 PolarHBondContact O-N 3.21Å; I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.3Å; I297-V301 WeakPolarHBondContact O-CG2 3.35Å; I297-V301 PolarHBondContact O-N 2.97Å
298T70.1Confident71.5Confident88 Ų8892.7 Ų92.754%0.5454%0.536SS..Hα-helixtrans-63.6-43.2178.8-43.30000111G294 A295 V296 V301 V302G294-T298 WeakPolarHBondContact O-CB 3.39Å; G294-T298 PolarHBondContact O-N 3.37Å; G294-T298 PolarHBondContact O-OG1 3.5Å; A295-T298 PolarHBondContact O-N 3.21Å; V296-T298 VanDerWaalsContact C-N 3.35Å; V296-T298 PolarHBondContact O-N 3.04Å; T298-V301 PolarHBondContact O-N 3.01Å; T298-V302 VanDerWaalsContact O-CG2 3.29Å; T298-V302 WeakPolarHBondContact O-CG2 3.23Å; T298-V302 PolarHBondContact O-N 2.96Å
299G72.1Confident71.3Confident42 Ų4299.7 Ų99.743%0.43355%0.552SS.*Hα-helixtrans-61.6-43174.700000113.1A295 V296 I297 V302 A303A295-G299 PolarHBondContact O-N 3.29Å; V296-G299 PolarHBondContact O-N 3.48Å; I297-G299 PolarHBondContact O-N 2.9Å; G299-V302 PolarHBondContact O-N 3.48Å; G299-A303 WeakPolarHBondContact O-CB 3.36Å; G299-A303 PolarHBondContact O-N 2.78Å
300A74.3Confident70.6Confident57 Ų57106.9 Ų106.947%0.47158%0.575SS.*Hα-helixtrans-65-40.8177.800000112.4V296 I297 A303 A304V296-A300 WeakPolarHBondContact O-CB 3.39Å; V296-A300 PolarHBondContact O-N 3.48Å; I297-A300 PolarHBondContact O-N 3.21Å; A300-A303 PolarHBondContact O-N 3.18Å; A300-A304 WeakPolarHBondContact O-CB 3.03Å; A300-A304 PolarHBondContact O-N 3.23Å
301V75Confident69.7Low83 Ų83104.9 Ų104.950%0.50357%0.57SS.*Hα-helixtrans-65.6-44.8176.5172.80000110.9I297 T298 A303 A304 V305I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.3Å; I297-V301 WeakPolarHBondContact O-CG2 3.35Å; I297-V301 PolarHBondContact O-N 2.97Å; T298-V301 PolarHBondContact O-N 3.01Å; V301-A303 PolarHBondContact O-N 3.12Å; V301-A304 PolarHBondContact O-N 2.76Å; V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.47Å; V301-V305 VanDerWaalsContact O-CG2 3.28Å; V301-V305 WeakPolarHBondContact O-CG2 3.4Å; V301-V305 PolarHBondContact O-N 3.45Å
302V74.1Confident68.8Low79 Ų79104.2 Ų104.248%0.47957%0.57SS.*Hα-helixtrans-61.5-44.4176.7173.10000110.9T298 G299 A304 V305 M306T298-V302 VanDerWaalsContact O-CG2 3.29Å; T298-V302 WeakPolarHBondContact O-CG2 3.23Å; T298-V302 PolarHBondContact O-N 2.96Å; G299-V302 PolarHBondContact O-N 3.48Å; V302-A304 PolarHBondContact O-N 3.09Å; V302-V305 PolarHBondContact O-N 3.2Å; V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 HydrophobicContact CG1-SD 4.17Å; V302-M306 WeakPolarHBondContact O-CB 3.17Å; V302-M306 WeakPolarHBondContact O-CG 3.32Å; V302-M306 PolarHBondContact O-N 3.06Å
303A70.7Confident67.7Low58 Ų58105.9 Ų105.948%0.47958%0.58SS.*Hα-helixtrans-61.8-43.5176.300000112.3G299 A300 V301 M306 W307G299-A303 WeakPolarHBondContact O-CB 3.36Å; G299-A303 PolarHBondContact O-N 2.78Å; A300-A303 PolarHBondContact O-N 3.18Å; V301-A303 PolarHBondContact O-N 3.12Å; A303-M306 PolarHBondContact O-N 3.17Å; A303-W307 WeakPolarHBondContact O-CB 3.45Å; A303-W307 PolarHBondContact O-N 3.27Å
304A72.4Confident66.6Low57 Ų57109.3 Ų109.347%0.47159%0.588SS.*Hα-helixtrans-65.2-40177.200000112.6A300 V301 V302 W307 R308A300-A304 WeakPolarHBondContact O-CB 3.03Å; A300-A304 PolarHBondContact O-N 3.23Å; V301-A304 PolarHBondContact O-N 2.76Å; V302-A304 PolarHBondContact O-N 3.09Å; A304-W307 PolarHBondContact O-N 2.77Å; A304-R308 PolarHBondContact O-N 3.28Å
305V71.7Confident65.1Low82 Ų82117.6 Ų117.650%0.49762%0.615SS.*Hα-helixtrans-67.4-42.3176.41710000111V301 V302 W307 R308 R309V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.47Å; V301-V305 VanDerWaalsContact O-CG2 3.28Å; V301-V305 WeakPolarHBondContact O-CG2 3.4Å; V301-V305 PolarHBondContact O-N 3.45Å; V302-V305 PolarHBondContact O-N 3.2Å; V305-W307 VanDerWaalsContact C-N 3.34Å; V305-R308 PolarHBondContact O-N 2.93Å; V305-R309 PolarHBondContact O-N 3.48Å
306M72.3Confident63.3Low131 Ų131118.5 Ų118.565%0.64563%0.63SS**Hα-helixtrans-63.3-39.7174.7-74.1-176.266.500112V302 A303 R309 K310V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 HydrophobicContact CG1-SD 4.17Å; V302-M306 WeakPolarHBondContact O-CB 3.17Å; V302-M306 WeakPolarHBondContact O-CG 3.32Å; V302-M306 PolarHBondContact O-N 3.06Å; A303-M306 PolarHBondContact O-N 3.17Å; M306-R309 PolarHBondContact O-N 3.16Å; M306-K310 WeakPolarHBondContact O-CB 3.45Å; M306-K310 PolarHBondContact O-N 2.78Å
307W70.6Confident61.2Low207 Ų207117.6 Ų117.678%0.78464%0.641SS**Hα-helixtrans-63.2-45.2174.1-162.8-53.7000111.3A303 A304 V305 R309 K310 S311A303-W307 WeakPolarHBondContact O-CB 3.45Å; A303-W307 PolarHBondContact O-N 3.27Å; A304-W307 PolarHBondContact O-N 2.77Å; V305-W307 VanDerWaalsContact C-N 3.34Å; W307-R309 PolarHBondContact O-N 3Å; W307-K310 PolarHBondContact O-N 3.17Å; W307-S311 PolarHBondContact O-N 3.06Å; W307-S311 PolarHBondContact O-OG 3.25Å
308R65.2Low59.2Low199 Ų199117.4 Ų117.475%0.75165%0.649SS**Hα-helixtrans-60.2-45175.8-94.3-174.1176.5175.10.3112.1A304 V305 K310 S311 S312A304-R308 PolarHBondContact O-N 3.28Å; V305-R308 PolarHBondContact O-N 2.93Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.31Å; R308-S311 WeakPolarHBondContact CA-OG 3.39Å; R308-S311 PolarHBondContact O-N 2.87Å; R308-S311 VanDerWaalsContact O-N 3.14Å; R308-S311 PolarHBondContact O-OG 2.94Å; R308-S312 PolarHBondContact O-N 3.46Å; R308-S312 VanDerWaalsContact O-N 3.08Å; R308-S312 PolarHBondContact O-OG 2.98Å
309R60.4Low57.3Low196 Ų196123.7 Ų123.774%0.7466%0.664SS**Hα-helixtrans-61.2-37.8175.8-108.8-178.4168.6176.7-3.2112.7V305 M306 W307 S311 S312V305-R309 PolarHBondContact O-N 3.48Å; M306-R309 PolarHBondContact O-N 3.16Å; W307-R309 PolarHBondContact O-N 3Å; R309-S311 VanDerWaalsContact C-N 3.33Å; R309-S312 PolarHBondContact O-OG 3.3Å
310K54Low55.5Low181 Ų181126.7 Ų126.779%0.78768%0.679SS**Hα-helixtrans-72.3-25.2176.5-165.2172.4-179.6178.70113M306 W307 R308M306-K310 WeakPolarHBondContact O-CB 3.45Å; M306-K310 PolarHBondContact O-N 2.78Å; W307-K310 PolarHBondContact O-N 3.17Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.31Å
311S53.8Low53.6Low75 Ų75133 Ų13352%0.52470%0.698SS.*Hα-helixtrans-85.1-21.6176.665.40000114.6W307 R308 R309W307-S311 PolarHBondContact O-N 3.06Å; W307-S311 PolarHBondContact O-OG 3.25Å; R308-S311 WeakPolarHBondContact CA-OG 3.39Å; R308-S311 PolarHBondContact O-N 2.87Å; R308-S311 VanDerWaalsContact O-N 3.14Å; R308-S311 PolarHBondContact O-OG 2.94Å; R309-S311 VanDerWaalsContact C-N 3.33Å
312S53.8Low51.5Low84 Ų84133.2 Ų133.259%0.58771%0.709SS**Hα-helixtrans-82.7-15179.954.70000114.5R308 R309 R314R308-S312 PolarHBondContact O-N 3.46Å; R308-S312 VanDerWaalsContact O-N 3.08Å; R308-S312 PolarHBondContact O-OG 2.98Å; R309-S312 PolarHBondContact O-OG 3.3Å; S312-R314 VanDerWaalsContact C-N 3.27Å; S312-R314 PolarHBondContact O-N 2.95Å
313D46.9Very low49.7Very low155 Ų155134.4 Ų134.483%0.82973%0.727SS**THydrogen-bonded Turntrans-82.78.2178.8-104.2-4.3000114.3
314R48.4Very low47.9Very low221 Ų221136.5 Ų136.583%0.83474%0.738SS**SBendtrans-133.440.9-173.1-153.5-174.9170159.6-1.8116S312S312-R314 VanDerWaalsContact C-N 3.27Å; S312-R314 PolarHBondContact O-N 2.95Å
315K38.3Very low46.2Very low209 Ų209139.5 Ų139.591%0.90976%0.756SS**  trans-166.9102157.7-109.3159.3-172.8-171.50112.4
316G35.3Very low44.6Very low80 Ų80143 Ų14383%0.82577%0.772SS**  trans-98.8151.1161.300000111.8
317G31.7Very low43.2Very low81 Ų81142.1 Ų142.184%0.83578%0.778SS**  trans85.4145.7168.400000115.4
318S31.6Very low41.7Very low100 Ų100136.5 Ų136.570%0.69978%0.776SS**  cis177135.9-0.5142.50000107
319Y31.7Very low40.5Very low221 Ų221136.6 Ų136.687%0.86779%0.785SS**  trans52151.3156.6-71.5-100.3000119.1
320S33.1Very low39.2Very low105 Ų105130 Ų13073%0.73478%0.778SS**  cis-165.3148.318.90.80000111
321Q34Very low38.5Very low189 Ų189127 Ų12788%0.88378%0.779SS**  trans1.6131.8141.1-152.7172.88.500121
322A32.2Very low37.9Very low88 Ų88130.5 Ų130.573%0.72779%0.793SS**  156.7130.8105.400000114.4
323A34.8Very low37Very low103 Ų103132 Ų13285%0.85180%0.798SS**  trans57.5151.4139.900000119.8
324S34.7Very low36.7Very low102 Ų102129.6 Ų129.671%0.71379%0.793SS**  cis173.6137.4-8.2157.30000103.6
325S34.8Very low36.2Very low121 Ų121127.1 Ų127.185%0.84680%0.796SS**  -178.6128.8129.533.30000111.5
326D39.2Very low36.4Very low156 Ų156123.1 Ų123.183%0.83479%0.789SS**  trans-73.6157.6175.6-78.8-49.1000113.9
327S41.9Very low36.5Very low111 Ų111123.5 Ų123.578%0.77678%0.784SS**  -179.6111.311821.90000108.4
328A39.5Very low36.8Very low89 Ų89125.7 Ų125.774%0.73679%0.785SS**  62.5120.888.500000111.7
329Q40.1Very low37.2Very low201 Ų201130.2 Ų130.294%0.93979%0.792SS**  179.115657.2-111.2162.5-30.300105
330G33.9Very low38Very low58 Ų58129.6 Ų129.660%0.59881%0.811SS**  cis167.3146.26.400000108.3
331S39.6Very low38.3Very low117 Ų117130.9 Ų130.982%0.81882%0.815SS**  trans55.7146.3135.8-0.30000120.5
332D40.1Very low38.5Very low150 Ų150127.8 Ų127.880%0.80281%0.812SS**  cis-177.7166.6-5.9-133.2-27.4000109.2
333V36.1Very low38.8Very low116 Ų116130 Ų13070%0.70382%0.816SS**  trans80.9107.7149.4178.60000121.9
334S38.9Very low39.1Very low104 Ų104131.6 Ų131.673%0.72781%0.814SS**  13.4139.6129.9-43.70000122.1
335L39.2Very low39.3Very low169 Ų169133.4 Ų133.489%0.88582%0.82SS**  -175.1159.5116.8-98.8166.4000113.6
336T41.9Very low39.6Very low125 Ų125134.3 Ų134.377%0.76782%0.819SS**  trans-79.7163.7-164.7-14.60000116.6
337A38.5Very low39.7Very low88 Ų88132.7 Ų132.773%0.72782%0.818SS**  trans92.7119.4136.300000122.7
338C38Very low39.5Very low127 Ų127134.4 Ų134.486%0.85882%0.821SS**  58.9135.7129.4-79.10000125.4
339K39.9Very low39.5Very low194 Ų194138.2 Ų138.284%0.84383%0.828SS**  trans86.3123140.5-114.5174.6178.6174.30118.5
340V47.8Very low39.4Very low209 Ų209132.5 Ų132.5100%1.26782%0.818SS**  -141085.3173.50000108.9

Retrieved 340 of 340 residues in 135 ms (Link to these results)

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