A0A060Y8T0_ONCMY Loading...

Anti-silencing function 1Ba histone chaperone

AlphaFold DB (A0A1S3S1T0), UniProt , Accession A0A060Y8T0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538669, Length 197 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
1M72.1Confident93.9Very high201 Ų20155.5 Ų55.599%0.9931%0.306SS*.  0143.20-172176.2-75.300107.4K3 M31M1-K3 PolarHBondContact O-N 2.83Å; M1-M31 HydrophobicContact SD-SD 4.37Å
2A86.3Confident94.2Very high52 Ų5255.7 Ų55.743%0.4331%0.305SS..  trans-66.2128.2177.400000109.8W153A2-W153 HydrophobicContact CB-CZ2 3.99Å
3K94.4Very high94.5Very high29 Ų2957.2 Ų57.213%0.12631%0.313CS..SBendtrans-82.5-19.8-179.1-60.5-177178-173.50112.7M1 C30 M31 E32 L34 W153M1-K3 PolarHBondContact O-N 2.83Å; K3-C30 WeakPolarHBondContact O-CA 3.45Å; K3-M31 PolarHBondContact O-N 3.05Å; K3-E32 HydrophobicContact CB-CG 4.42Å; K3-E32 HydrophobicContact CD-CG 3.87Å; K3-E32 WeakPolarHBondContact CD-OE1 3.4Å; K3-E32 WeakPolarHBondContact CE-OE1 3.46Å; K3-E32 HydrophobicContact CG-CG 4.24Å; K3-E32 IonicContact NZ-OE1 2.61Å; K3-E32 PolarHBondContact NZ-OE1 3.39Å; K3-L34 HydrophobicContact CB-CD2 4.14Å; K3-L34 HydrophobicContact CD-CD2 3.94Å; K3-W153 HydrophobicContact CB-CD2 3.94Å; K3-W153 HydrophobicContact CB-CE3 3.66Å; K3-W153 HydrophobicContact CB-CH2 4.42Å; K3-W153 HydrophobicContact CB-CZ3 3.92Å; K3-W153 HydrophobicContact CD-CB 3.68Å; K3-W153 HydrophobicContact CD-CD2 4.08Å; K3-W153 HydrophobicContact CD-CE3 3.97Å; K3-W153 HydrophobicContact CD-CG 4Å; K3-W153 VanDerWaalsContact CE-CB 3.44Å; K3-W153 HydrophobicContact CG-CB 4.13Å; K3-W153 HydrophobicContact CG-CD2 3.8Å; K3-W153 HydrophobicContact CG-CE3 3.91Å; K3-W153 HydrophobicContact CG-CG 3.92Å
4V96.6Very high94.7Very high5 Ų556.7 Ų56.73%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-118.7133.9178.3-178.70000110F28 E29 L34 L38 F106 W153V4-F28 HydrophobicContact CG1-CB 4.4Å; V4-F28 HydrophobicContact CG1-CD2 3.83Å; V4-F28 HydrophobicContact CG1-CG 4.43Å; V4-E29 CarbonylContact C-O 3.59Å; V4-E29 WeakPolarHBondContact CA-O 3.45Å; V4-L34 HydrophobicContact CG2-CD1 3.51Å; V4-L38 HydrophobicContact CG1-CD1 4.23Å; V4-L38 HydrophobicContact CG2-CD1 4.16Å; V4-L38 HydrophobicContact CG2-CD2 4.29Å; V4-F106 HydrophobicContact CB-CE2 3.91Å; V4-F106 HydrophobicContact CB-CZ 3.89Å; V4-F106 HydrophobicContact CG1-CE2 4.07Å; V4-F106 HydrophobicContact CG1-CZ 3.92Å; V4-W153 HydrophobicContact CB-CH2 3.9Å; V4-W153 HydrophobicContact CB-CZ3 4.31Å; V4-W153 HydrophobicContact CG2-CH2 3.95Å; V4-W153 HydrophobicContact CG2-CZ3 3.83Å
5Q96.4Very high94.9Very high87 Ų8757.3 Ų57.341%0.40732%0.318SS..EExtended strand (participates in β ladder)trans-126.1120.9175.1-177.3173.6-5.100110.3L7 F28 E29Q5-L7 HydrophobicContact CG-CD2 4.23Å; Q5-L7 PolarHBondContact O-N 3.03Å; Q5-F28 CarbonylContact O-C 3.5Å; Q5-F28 VanDerWaalsContact O-CA 3.28Å; Q5-F28 WeakPolarHBondContact O-CA 3.46Å; Q5-F28 WeakPolarHBondContact O-CB 3.24Å; Q5-E29 PolarHBondContact N-O 3.42Å; Q5-E29 PolarHBondContact O-N 3.29Å
6V97.6Very high95.1Very high17 Ų1754.2 Ų54.210%0.10330%0.301CS..EExtended strand (participates in β ladder)trans-75.2122.7170.5-174.40000109V9 F28 W40 I107 I109V6-V9 HydrophobicContact CG1-CG2 3.82Å; V6-F28 HydrophobicContact CG2-CB 4.38Å; V6-W40 HydrophobicContact CG2-CH2 3.7Å; V6-W40 HydrophobicContact CG2-CZ3 4.36Å; V6-I107 HydrophobicContact CB-CD1 3.91Å; V6-I107 HydrophobicContact CG2-CD1 3.67Å; V6-I107 HydrophobicContact CG2-CG2 4.17Å; V6-I109 HydrophobicContact CB-CD1 4.48Å; V6-I109 HydrophobicContact CG1-CD1 3.97Å
7L97.6Very high95.3Very high65 Ų6561.7 Ų61.734%0.3432%0.324SS..EExtended strand (participates in β ladder)trans-92.1-43.4-176.9-60.3-176.2000111.7Q5 T27 E29 R69Q5-L7 HydrophobicContact CG-CD2 4.23Å; Q5-L7 PolarHBondContact O-N 3.03Å; L7-T27 HydrophobicContact CB-CG2 4.21Å; L7-T27 HydrophobicContact CD1-CG2 4.2Å; L7-T27 PolarHBondContact N-O 3.49Å; L7-E29 HydrophobicContact CD1-CB 4.01Å; L7-E29 HydrophobicContact CD2-CB 4.27Å; L7-E29 HydrophobicContact CG-CB 4.15Å; L7-R69 HydrophobicContact CD1-CG 4.08Å
8N97.2Very high95.5Very high84 Ų8458.4 Ų58.445%0.44931%0.306SS..EExtended strand (participates in β ladder)trans-153.6149.2-178.3-17238.1000111.1T27N8-T27 PolarHBondContact N-O 3.29Å; N8-T27 VanDerWaalsContact N-O 3.11Å; N8-T27 PolarHBondContact O-N 3.06Å
9V98.2Very high95.6Very high16 Ų1658.4 Ų58.410%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-133.7107.8167.3-179.80000107.5V6 F24 E25 I26 I97 I109 Y111V6-V9 HydrophobicContact CG1-CG2 3.82Å; V9-F24 HydrophobicContact CG1-CB 4.11Å; V9-F24 HydrophobicContact CG1-CD1 3.98Å; V9-F24 HydrophobicContact CG1-CG 4.4Å; V9-E25 WeakPolarHBondContact CA-O 3.35Å; V9-I26 HydrophobicContact CG1-CG1 4.33Å; V9-I26 HydrophobicContact CG2-CG1 4.35Å; V9-I26 HydrophobicContact CG2-CG2 4.48Å; V9-I97 HydrophobicContact CG1-CD1 3.79Å; V9-I109 HydrophobicContact CG2-CD1 3.64Å; V9-Y111 WeakPolarHBondContact CB-OH 3.47Å; V9-Y111 HydrophobicContact CG1-CE2 4.22Å; V9-Y111 WeakPolarHBondContact CG1-OH 3.49Å; V9-Y111 PolarHBondContact O-OH 3.16Å
10A98.2Very high95.7Very high28 Ų2858.2 Ų58.223%0.23132%0.32CS..EExtended strand (participates in β ladder)trans-93.2126.5175.700000109.8L12 F24 E25A10-L12 HydrophobicContact CB-CD2 4.42Å; A10-F24 CarbonylContact O-C 3.56Å; A10-F24 WeakPolarHBondContact O-CA 3.14Å; A10-E25 HydrophobicContact CB-CB 4.25Å; A10-E25 PolarHBondContact N-O 2.88Å; A10-E25 PolarHBondContact O-N 2.94Å
11V98.3Very high95.9Very high26 Ų2657 Ų5716%0.15832%0.315CS..EExtended strand (participates in β ladder)trans-82.9120.6173.6-172.20000108.3N14 F24 Y111 I139 A141V11-N14 HydrophobicContact CG1-CB 3.94Å; V11-F24 HydrophobicContact CB-CD1 4.48Å; V11-F24 HydrophobicContact CB-CE1 4.47Å; V11-F24 HydrophobicContact CG1-CD1 4.48Å; V11-F24 HydrophobicContact CG1-CE1 4.18Å; V11-F24 HydrophobicContact CG2-CD1 4.02Å; V11-F24 HydrophobicContact CG2-CE1 3.86Å; V11-Y111 HydrophobicContact CG2-CD1 4.31Å; V11-Y111 HydrophobicContact CG2-CE1 3.84Å; V11-Y111 HydrophobicContact CG2-CE2 4.46Å; V11-I139 HydrophobicContact CG1-CB 4.03Å; V11-I139 HydrophobicContact CG1-CD1 3.74Å; V11-I139 HydrophobicContact CG1-CG1 4.42Å; V11-I139 HydrophobicContact CG1-CG2 4.1Å; V11-I139 HydrophobicContact CG2-CG2 4.18Å; V11-A141 HydrophobicContact CB-CB 3.87Å; V11-A141 HydrophobicContact CG2-CB 3.57Å
12L98.2Very high97.1Very high58 Ų5847.5 Ų47.530%0.30427%0.268SS..PPolyproline II helixtrans-99.2162.9178.5-47.6-179.7000110.2A10 N14 Q23 E25 V73A10-L12 HydrophobicContact CB-CD2 4.42Å; L12-N14 PolarHBondContact O-N 2.96Å; L12-Q23 HydrophobicContact CB-CB 3.83Å; L12-Q23 HydrophobicContact CD1-CB 4.45Å; L12-Q23 HydrophobicContact CG-CB 4.5Å; L12-Q23 PolarHBondContact N-O 2.93Å; L12-E25 HydrophobicContact CD1-CB 4.28Å; L12-E25 HydrophobicContact CD2-CB 4.48Å; L12-V73 HydrophobicContact CD1-CG1 4.3Å
13D97.5Very high97.7Very high75 Ų7547.3 Ų47.340%0.40126%0.259SS..SBendtrans46.757.5179-167.238.4000113.7S16 N20D13-S16 WeakPolarHBondContact O-CB 3.46Å; D13-S16 PolarHBondContact O-OG 3.23Å; D13-N20 PolarHBondContact OD2-ND2 3.01Å
14N97.9Very high97.9Very high51 Ų5146 Ų4627%0.27325%0.253SS..  trans-136.5131.9-175.6-175.968.7000112.6V11 L12 N138 I139V11-N14 HydrophobicContact CG1-CB 3.94Å; L12-N14 PolarHBondContact O-N 2.96Å; N14-N138 PolarHBondContact ND2-OD1 3.28Å; N14-I139 PolarHBondContact ND2-O 3.48Å; N14-I139 PolarHBondContact OD1-N 3.35Å
15P97.9Very high98Very high66 Ų6648.5 Ų48.543%0.42926%0.264SS..SBendcis-70.7156.3-6.132.1-36.2000112.1Q136 R137 N138P15-Q136 HydrophobicContact CB-CG 4.04Å; P15-R137 WeakPolarHBondContact CA-O 3.39Å; P15-N138 HydrophobicContact CB-CB 4.05Å
16S98.3Very high98.1Very high7 Ų744.4 Ų44.45%0.04925%0.245CC..EExtended strand (participates in β ladder)trans-144.2172.9-178.749.20000112D13 Q136 R137D13-S16 WeakPolarHBondContact O-CB 3.46Å; D13-S16 PolarHBondContact O-OG 3.23Å; S16-Q136 CarbonylContact O-C 3.58Å; S16-Q136 WeakPolarHBondContact O-CA 3.4Å; S16-Q136 WeakPolarHBondContact O-CG 3.47Å; S16-R137 PolarHBondContact N-O 3.27Å; S16-R137 PolarHBondContact O-N 2.95Å
17R98.1Very high98.1Very high182 Ų18243.9 Ų43.969%0.68724%0.242SC*.EExtended strand (participates in β ladder)trans-64.2149.6175.7-65.8-176.5176.5175.8-2110G19 N20R17-G19 PolarHBondContact O-N 3.11Å; R17-N20 WeakPolarHBondContact O-CB 3.48Å; R17-N20 PolarHBondContact O-N 3.42Å
18F98.3Very high98.2Very high3 Ų340.8 Ų40.81%0.01323%0.226CC..THydrogen-bonded Turntrans-53.5-43.4178.4-177.5-84000112.8N20 A78 P79 T81 I84 Y132 L135 R137F18-N20 PolarHBondContact O-N 3.34Å; F18-A78 WeakPolarHBondContact O-CB 3.39Å; F18-P79 HydrophobicContact CE1-CG 4Å; F18-P79 HydrophobicContact CE2-CG 4.5Å; F18-P79 HydrophobicContact CZ-CG 3.62Å; F18-T81 HydrophobicContact CD1-CG2 4.19Å; F18-T81 HydrophobicContact CE1-CG2 3.52Å; F18-T81 HydrophobicContact CZ-CG2 4.3Å; F18-I84 HydrophobicContact CZ-CD1 3.77Å; F18-Y132 AromaticContact CD1-CD1 3.64Å; F18-Y132 HydrophobicContact CD1-CD1 3.64Å; F18-Y132 HydrophobicContact CD1-CG 4.33Å; F18-Y132 HydrophobicContact CD2-CD1 4.11Å; F18-Y132 AromaticContact CE1-CD1 3.5Å; F18-Y132 HydrophobicContact CE1-CD1 3.5Å; F18-Y132 AromaticContact CE1-CE1 3.97Å; F18-Y132 HydrophobicContact CE1-CE1 3.97Å; F18-Y132 HydrophobicContact CE1-CG 4.38Å; F18-Y132 AromaticContact CE2-CD1 3.95Å; F18-Y132 HydrophobicContact CE2-CD1 3.95Å; F18-Y132 HydrophobicContact CE2-CE1 4.05Å; F18-Y132 AromaticContact CG-CD1 3.95Å; F18-Y132 HydrophobicContact CG-CD1 3.95Å; F18-Y132 AromaticContact CZ-CD1 3.64Å; F18-Y132 HydrophobicContact CZ-CD1 3.64Å; F18-Y132 AromaticContact CZ-CE1 3.69Å; F18-Y132 HydrophobicContact CZ-CE1 3.69Å; F18-L135 HydrophobicContact CB-CB 3.88Å; F18-L135 HydrophobicContact CG-CB 4.5Å; F18-L135 PolarHBondContact N-O 3.43Å; F18-R137 PolarHBondContact O-NH1 2.89Å; F18-R137 VanDerWaalsContact O-NH1 3.15Å
19G97.6Very high98.2Very high58 Ų5840.6 Ų40.660%0.59822%0.222SC*.THydrogen-bonded Turntrans-73.7-2.6178.900000115.4R17R17-G19 PolarHBondContact O-N 3.11Å
20N98.3Very high98.1Very high54 Ų5440 Ų4029%0.28922%0.218SC..SBendtrans-73.5145.9174.2-80.824.7000110.4D13 R17 F18 R137D13-N20 PolarHBondContact OD2-ND2 3.01Å; R17-N20 WeakPolarHBondContact O-CB 3.48Å; R17-N20 PolarHBondContact O-N 3.42Å; F18-N20 PolarHBondContact O-N 3.34Å; N20-R137 PolarHBondContact O-NH1 2.75Å; N20-R137 PolarHBondContact O-NH2 3.49Å
21P98.5Very high98Very high33 Ų3343.3 Ų43.321%0.21423%0.23CC..PPolyproline II helixtrans-54.8148.3171.4-25.535000112.5Q75 A76 R137P21-Q75 HydrophobicContact CB-CG 3.78Å; P21-A76 CarbonylContact C-O 3.4Å; P21-A76 WeakPolarHBondContact CA-O 3.49Å; P21-A76 VanDerWaalsContact CB-O 3.28Å; P21-A76 WeakPolarHBondContact CB-O 3.35Å; P21-R137 PolarHBondContact O-NH2 3.01Å; P21-R137 VanDerWaalsContact O-NH2 3.11Å
22F98.6Very high97.9Very high1 Ų146.4 Ų46.40%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-72.4140.4162.1-74.2-96.6000109.2F24 Y44 L57 Q75 A76 A95 R137 I139F22-F24 HydrophobicContact CB-CD2 4.45Å; F22-F24 HydrophobicContact CB-CE2 3.85Å; F22-F24 AromaticContact CD1-CE2 3.96Å; F22-F24 HydrophobicContact CD1-CE2 3.96Å; F22-F24 AromaticContact CD1-CZ 3.91Å; F22-F24 HydrophobicContact CD1-CZ 3.91Å; F22-F24 HydrophobicContact CG-CE2 4.32Å; F22-Y44 HydrophobicContact CE2-CD2 4.19Å; F22-Y44 AromaticContact CZ-CD2 3.74Å; F22-Y44 HydrophobicContact CZ-CD2 3.74Å; F22-Y44 HydrophobicContact CZ-CE2 4.07Å; F22-L57 HydrophobicContact CD2-CD1 3.37Å; F22-L57 HydrophobicContact CE2-CD1 3.51Å; F22-L57 HydrophobicContact CG-CD1 4.19Å; F22-L57 HydrophobicContact CZ-CD1 4.41Å; F22-Q75 CarbonylContact O-C 3.55Å; F22-Q75 WeakPolarHBondContact O-CA 3.37Å; F22-Q75 WeakPolarHBondContact O-CG 3.38Å; F22-A76 PolarHBondContact N-O 2.85Å; F22-A76 PolarHBondContact O-N 3.46Å; F22-A95 HydrophobicContact CE1-CB 3.93Å; F22-R137 VanDerWaalsContact CZ-CD 3.48Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.7Å; F22-I139 HydrophobicContact CE1-CG1 4.41Å
23Q98.4Very high97.7Very high49 Ų4949 Ų4923%0.22926%0.257CS..EExtended strand (participates in β ladder)trans-138.2118.4178.1-69.6177.561.100110L12 Q75L12-Q23 HydrophobicContact CB-CB 3.83Å; L12-Q23 HydrophobicContact CD1-CB 4.45Å; L12-Q23 HydrophobicContact CG-CB 4.5Å; L12-Q23 PolarHBondContact N-O 2.93Å; Q23-Q75 HydrophobicContact CG-CB 4.21Å; Q23-Q75 HydrophobicContact CG-CG 3.83Å
24F98.6Very high97.6Very high0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-125.3124.5178.5-59.7-78.3000110.2V9 A10 V11 F22 I26 I42 V73 F74 I97 Y111 I139V9-F24 HydrophobicContact CG1-CB 4.11Å; V9-F24 HydrophobicContact CG1-CD1 3.98Å; V9-F24 HydrophobicContact CG1-CG 4.4Å; A10-F24 CarbonylContact O-C 3.56Å; A10-F24 WeakPolarHBondContact O-CA 3.14Å; V11-F24 HydrophobicContact CB-CD1 4.48Å; V11-F24 HydrophobicContact CB-CE1 4.47Å; V11-F24 HydrophobicContact CG1-CD1 4.48Å; V11-F24 HydrophobicContact CG1-CE1 4.18Å; V11-F24 HydrophobicContact CG2-CD1 4.02Å; V11-F24 HydrophobicContact CG2-CE1 3.86Å; F22-F24 HydrophobicContact CB-CD2 4.45Å; F22-F24 HydrophobicContact CB-CE2 3.85Å; F22-F24 AromaticContact CD1-CE2 3.96Å; F22-F24 HydrophobicContact CD1-CE2 3.96Å; F22-F24 AromaticContact CD1-CZ 3.91Å; F22-F24 HydrophobicContact CD1-CZ 3.91Å; F22-F24 HydrophobicContact CG-CE2 4.32Å; F24-I26 HydrophobicContact CB-CG1 4.23Å; F24-I42 HydrophobicContact CD2-CD1 3.78Å; F24-I42 HydrophobicContact CD2-CG1 4.23Å; F24-I42 HydrophobicContact CE2-CD1 4.06Å; F24-I42 HydrophobicContact CE2-CG1 4.26Å; F24-I42 HydrophobicContact CE2-CG2 4.28Å; F24-V73 CarbonylContact O-C 3.59Å; F24-V73 WeakPolarHBondContact O-CA 3.47Å; F24-F74 PolarHBondContact N-O 3.19Å; F24-F74 PolarHBondContact O-N 3.31Å; F24-I97 HydrophobicContact CB-CD1 4.06Å; F24-I97 HydrophobicContact CD1-CD1 3.68Å; F24-I97 HydrophobicContact CD2-CD1 3.75Å; F24-I97 HydrophobicContact CD2-CG1 4.25Å; F24-I97 HydrophobicContact CE1-CD1 3.95Å; F24-I97 HydrophobicContact CE2-CD1 4.01Å; F24-I97 HydrophobicContact CE2-CG1 4.21Å; F24-I97 HydrophobicContact CG-CD1 3.55Å; F24-I97 HydrophobicContact CZ-CD1 4.11Å; F24-I97 HydrophobicContact CZ-CG1 4.46Å; F24-Y111 HydrophobicContact CD1-CE2 4.47Å; F24-Y111 HydrophobicContact CE1-CD2 4.09Å; F24-Y111 HydrophobicContact CE1-CE2 4.04Å; F24-I139 HydrophobicContact CZ-CD1 4.31Å
25E98.5Very high97.4Very high59 Ų5947.6 Ų47.628%0.27626%0.255SS..EExtended strand (participates in β ladder)trans-88.1109.5166.6-176.2-175.785.200108.6V9 A10 L12 M71 V73V9-E25 WeakPolarHBondContact CA-O 3.35Å; A10-E25 HydrophobicContact CB-CB 4.25Å; A10-E25 PolarHBondContact N-O 2.88Å; A10-E25 PolarHBondContact O-N 2.94Å; L12-E25 HydrophobicContact CD1-CB 4.28Å; L12-E25 HydrophobicContact CD2-CB 4.48Å; E25-M71 HydrophobicContact CG-CG 3.88Å; E25-M71 HydrophobicContact CG-SD 4.01Å; E25-V73 HydrophobicContact CB-CG2 4.49Å; E25-V73 HydrophobicContact CG-CG2 4.5Å
26I98.4Very high97.3Very high0 Ų048.5 Ų48.50%025%0.253CS..EExtended strand (participates in β ladder)trans-100.7124.1-176.5-59.2177.3000108.3V9 F24 F28 W40 M71 F72 F74 I97V9-I26 HydrophobicContact CG1-CG1 4.33Å; V9-I26 HydrophobicContact CG2-CG1 4.35Å; V9-I26 HydrophobicContact CG2-CG2 4.48Å; F24-I26 HydrophobicContact CB-CG1 4.23Å; I26-F28 HydrophobicContact CG2-CD1 4.34Å; I26-W40 HydrophobicContact CD1-CE3 3.82Å; I26-W40 HydrophobicContact CD1-CZ3 3.94Å; I26-W40 HydrophobicContact CG2-CH2 3.61Å; I26-W40 HydrophobicContact CG2-CZ2 4.21Å; I26-W40 HydrophobicContact CG2-CZ3 3.8Å; I26-M71 VanDerWaalsContact O-CA 3.26Å; I26-M71 WeakPolarHBondContact O-CA 3.28Å; I26-F72 HydrophobicContact CB-CD1 4.32Å; I26-F72 HydrophobicContact CB-CE1 3.88Å; I26-F72 HydrophobicContact CB-CZ 4.22Å; I26-F72 HydrophobicContact CD1-CE1 4.45Å; I26-F72 HydrophobicContact CD1-CZ 3.96Å; I26-F72 HydrophobicContact CG2-CE1 4.03Å; I26-F72 PolarHBondContact N-O 3.01Å; I26-F72 PolarHBondContact O-N 3.44Å; I26-F74 HydrophobicContact CD1-CB 4.03Å; I26-F74 HydrophobicContact CD1-CD1 3.97Å; I26-I97 HydrophobicContact CD1-CG2 4.01Å
27T98.4Very high97.2Very high6 Ų651.2 Ų51.24%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-113.3125.7170.7-54.90000109.5L7 N8 R69 H70L7-T27 HydrophobicContact CB-CG2 4.21Å; L7-T27 HydrophobicContact CD1-CG2 4.2Å; L7-T27 PolarHBondContact N-O 3.49Å; N8-T27 PolarHBondContact N-O 3.29Å; N8-T27 VanDerWaalsContact N-O 3.11Å; N8-T27 PolarHBondContact O-N 3.06Å; T27-R69 HydrophobicContact CG2-CG 4.11Å; T27-R69 VanDerWaalsContact CG2-NE 3.3Å; T27-H70 WeakPolarHBondContact CA-O 3.38Å
28F98.2Very high97.2Very high1 Ų142.5 Ų42.50%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-137.8161.6177.369.1-88.5000111.3V4 Q5 V6 I26 L38 W40 V62 V65 R69 H70 F72V4-F28 HydrophobicContact CG1-CB 4.4Å; V4-F28 HydrophobicContact CG1-CD2 3.83Å; V4-F28 HydrophobicContact CG1-CG 4.43Å; Q5-F28 CarbonylContact O-C 3.5Å; Q5-F28 VanDerWaalsContact O-CA 3.28Å; Q5-F28 WeakPolarHBondContact O-CA 3.46Å; Q5-F28 WeakPolarHBondContact O-CB 3.24Å; V6-F28 HydrophobicContact CG2-CB 4.38Å; I26-F28 HydrophobicContact CG2-CD1 4.34Å; F28-L38 HydrophobicContact CE2-CD1 3.99Å; F28-L38 HydrophobicContact CZ-CD1 4.25Å; F28-W40 HydrophobicContact CD1-CH2 4.5Å; F28-W40 AromaticContact CD1-CZ2 3.89Å; F28-W40 HydrophobicContact CD1-CZ2 3.89Å; F28-W40 HydrophobicContact CE1-CZ2 4.22Å; F28-W40 HydrophobicContact CG-CZ2 4.24Å; F28-V62 HydrophobicContact CZ-CG1 4.36Å; F28-V65 HydrophobicContact CE2-CG1 3.9Å; F28-V65 HydrophobicContact CZ-CG1 4.32Å; F28-R69 WeakPolarHBondContact O-CA 3.26Å; F28-H70 HydrophobicContact CD1-CB 4.25Å; F28-H70 HydrophobicContact CD2-CB 4.39Å; F28-H70 HydrophobicContact CE1-CB 3.74Å; F28-H70 HydrophobicContact CE2-CB 3.9Å; F28-H70 AromaticContact CE2-CD2 3.69Å; F28-H70 HydrophobicContact CZ-CB 3.56Å; F28-H70 PolarHBondContact N-O 3.03Å; F28-H70 PolarHBondContact O-N 3.26Å; F28-F72 HydrophobicContact CD1-CD1 4.48Å; F28-F72 HydrophobicContact CD1-CE1 4.17Å; F28-F72 AromaticContact CE1-CD1 3.95Å; F28-F72 HydrophobicContact CE1-CD1 3.95Å; F28-F72 AromaticContact CE1-CE1 3.76Å; F28-F72 HydrophobicContact CE1-CE1 3.76Å
29E97.7Very high97.2Very high80 Ų8044.7 Ų44.737%0.37425%0.245SC..EExtended strand (participates in β ladder)trans-122.2133.6177-179.6170.7-142.900109.5V4 Q5 L7 G68V4-E29 CarbonylContact C-O 3.59Å; V4-E29 WeakPolarHBondContact CA-O 3.45Å; Q5-E29 PolarHBondContact N-O 3.42Å; Q5-E29 PolarHBondContact O-N 3.29Å; L7-E29 HydrophobicContact CD1-CB 4.01Å; L7-E29 HydrophobicContact CD2-CB 4.27Å; L7-E29 HydrophobicContact CG-CB 4.15Å; E29-G68 WeakPolarHBondContact CA-O 3.49Å
30C96.9Very high97.2Very high2 Ų242 Ų421%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-106.5123.8173.5-154.10000108.7K3 E32 L34 V65 A67 G68K3-C30 WeakPolarHBondContact O-CA 3.45Å; C30-E32 PolarHBondContact SG-O 3.2Å; C30-L34 VanDerWaalsContact SG-CG 3.59Å; C30-V65 HydrophobicContact CB-CG1 4.06Å; C30-A67 WeakPolarHBondContact O-CA 3.43Å; C30-G68 PolarHBondContact N-O 3.17Å; C30-G68 PolarHBondContact O-N 3.29Å
31M95.6Very high97.3Very high99 Ų9942 Ų4249%0.48821%0.214SC..SBendtrans-74.8-28-176.4-63.4-177.1-174.900112.6M1 K3M1-M31 HydrophobicContact SD-SD 4.37Å; K3-M31 PolarHBondContact O-N 3.05Å
32E95.2Very high97.3Very high90 Ų9040.5 Ų40.542%0.42120%0.204SC..SBendtrans-147.5167.8179.759.8177.2-131.500110.2K3 C30 L34K3-E32 HydrophobicContact CB-CG 4.42Å; K3-E32 HydrophobicContact CD-CG 3.87Å; K3-E32 WeakPolarHBondContact CD-OE1 3.4Å; K3-E32 WeakPolarHBondContact CE-OE1 3.46Å; K3-E32 HydrophobicContact CG-CG 4.24Å; K3-E32 IonicContact NZ-OE1 2.61Å; K3-E32 PolarHBondContact NZ-OE1 3.39Å; C30-E32 PolarHBondContact SG-O 3.2Å; E32-L34 PolarHBondContact O-N 2.98Å
33D95.3Very high97.3Very high112 Ų11241.7 Ų41.760%0.59921%0.21SC*.  trans-66.1126.1179.6-62.5-21.6000110.9P66 A67D33-P66 WeakPolarHBondContact OD1-CA 3.33Å; D33-A67 PolarHBondContact OD1-N 2.96Å
34L95.2Very high97.3Very high3 Ų339.4 Ų39.42%0.01620%0.199CC..BIsolated β-bridgetrans-94.5123.6170.5-61.2178.2000110.3K3 V4 C30 E32 E36 L38 V65 Y101 W153K3-L34 HydrophobicContact CB-CD2 4.14Å; K3-L34 HydrophobicContact CD-CD2 3.94Å; V4-L34 HydrophobicContact CG2-CD1 3.51Å; C30-L34 VanDerWaalsContact SG-CG 3.59Å; E32-L34 PolarHBondContact O-N 2.98Å; L34-E36 VanDerWaalsContact C-N 3.33Å; L34-L38 HydrophobicContact CD1-CD2 3.99Å; L34-L38 HydrophobicContact CD1-CG 4.24Å; L34-V65 HydrophobicContact CB-CB 4.16Å; L34-V65 HydrophobicContact CD1-CB 4.41Å; L34-V65 PolarHBondContact N-O 3.39Å; L34-V65 PolarHBondContact O-N 3.28Å; L34-V65 VanDerWaalsContact O-N 3.14Å; L34-Y101 HydrophobicContact CB-CE2 4.15Å; L34-Y101 HydrophobicContact CD1-CD2 4.36Å; L34-Y101 HydrophobicContact CD1-CE2 4.2Å; L34-Y101 HydrophobicContact CD2-CE1 4.4Å; L34-Y101 HydrophobicContact CD2-CE2 4.38Å; L34-Y101 HydrophobicContact CG-CE2 4.49Å; L34-W153 HydrophobicContact CD1-CZ3 4.44Å; L34-W153 HydrophobicContact CD2-CE3 4.26Å; L34-W153 HydrophobicContact CD2-CZ3 4.47Å
35P94.1Very high97.3Very high94 Ų9440.4 Ų40.461%0.6121%0.205SC*.SBendtrans-74.3-22.6179.629.6-36.6000113.7Y101P35-Y101 WeakPolarHBondContact CD-OH 3.29Å
36E95.1Very high97.2Very high85 Ų8537.6 Ų37.640%0.39719%0.193SC..SBendtrans-114.1165.6-178.1-74.8173.9-115.300111.4L34 Y101 R102L34-E36 VanDerWaalsContact C-N 3.33Å; E36-Y101 HydrophobicContact CB-CE2 3.69Å; E36-Y101 WeakPolarHBondContact O-CE2 3.28Å; E36-R102 IonicContact OE1-CZ 3.13Å; E36-R102 IonicContact OE1-NE 2.72Å; E36-R102 PolarHBondContact OE1-NE 3.03Å; E36-R102 IonicContact OE1-NH2 2.73Å; E36-R102 PolarHBondContact OE1-NH2 3.44Å; E36-R102 WeakPolarHBondContact OE2-CG 3.14Å; E36-R102 IonicContact OE2-NE 3.65Å
37D96.7Very high97.1Very high64 Ų6437.8 Ų37.834%0.34219%0.194SC..PPolyproline II helixtrans-77.1144.9-175.6-57.6-14.5000111.7L61 G63D37-L61 HydrophobicContact CB-CB 4.13Å; D37-L61 HydrophobicContact CB-CD2 4.26Å; D37-G63 WeakPolarHBondContact OD1-CA 3.38Å
38L97.7Very high96.8Very high0 Ų041.9 Ų41.90%023%0.229CC..EExtended strand (participates in β ladder)trans-81.2129.8160.4-65.9178.5000108.9V4 F28 L34 L61 V62 V65 T100 Y101 F106V4-L38 HydrophobicContact CG1-CD1 4.23Å; V4-L38 HydrophobicContact CG2-CD1 4.16Å; V4-L38 HydrophobicContact CG2-CD2 4.29Å; F28-L38 HydrophobicContact CE2-CD1 3.99Å; F28-L38 HydrophobicContact CZ-CD1 4.25Å; L34-L38 HydrophobicContact CD1-CD2 3.99Å; L34-L38 HydrophobicContact CD1-CG 4.24Å; L38-L61 CarbonylContact O-C 3.56Å; L38-L61 WeakPolarHBondContact O-CA 3.38Å; L38-V62 PolarHBondContact N-O 3.36Å; L38-V62 PolarHBondContact O-N 2.82Å; L38-V65 HydrophobicContact CD1-CG2 4.27Å; L38-V65 HydrophobicContact CG-CG2 4.22Å; L38-T100 WeakPolarHBondContact CA-O 3.42Å; L38-Y101 HydrophobicContact CD2-CD2 3.88Å; L38-Y101 HydrophobicContact CD2-CG 4.23Å; L38-F106 HydrophobicContact CD2-CE1 3.91Å; L38-F106 HydrophobicContact CD2-CZ 4.23Å
39E98.4Very high96.5Very high49 Ų4950.3 Ų50.323%0.22927%0.268CS..EExtended strand (participates in β ladder)trans-98.9118.3171.2-172.3-171.7-149.100109.2K41 S59 V60 L61 C99 T100E39-K41 WeakPolarHBondContact OE1-CE 3.11Å; E39-K41 IonicContact OE1-NZ 2.78Å; E39-K41 PolarHBondContact OE1-NZ 3.21Å; E39-K41 VanDerWaalsContact OE2-CE 3.28Å; E39-K41 WeakPolarHBondContact OE2-CE 3.38Å; E39-K41 IonicContact OE2-NZ 3.64Å; E39-K41 PolarHBondContact OE2-NZ 3.13Å; E39-S59 WeakPolarHBondContact CG-OG 3.26Å; E39-S59 PolarHBondContact OE1-OG 2.92Å; E39-V60 WeakPolarHBondContact CA-O 3.34Å; E39-L61 HydrophobicContact CB-CD2 3.7Å; E39-L61 HydrophobicContact CG-CD2 3.84Å; E39-C99 CarbonylContact O-C 3.6Å; E39-C99 WeakPolarHBondContact O-CA 3.47Å; E39-T100 WeakPolarHBondContact CB-OG1 3.43Å; E39-T100 PolarHBondContact N-O 3.42Å; E39-T100 PolarHBondContact O-N 3.49Å; E39-T100 PolarHBondContact OE2-OG1 3.44Å
40W98.6Very high96.3Very high1 Ų148 Ų480%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-105.2132.5175.6-65.482.8000110V6 I26 F28 S59 V60 F72 F74 I97 T98 C99V6-W40 HydrophobicContact CG2-CH2 3.7Å; V6-W40 HydrophobicContact CG2-CZ3 4.36Å; I26-W40 HydrophobicContact CD1-CE3 3.82Å; I26-W40 HydrophobicContact CD1-CZ3 3.94Å; I26-W40 HydrophobicContact CG2-CH2 3.61Å; I26-W40 HydrophobicContact CG2-CZ2 4.21Å; I26-W40 HydrophobicContact CG2-CZ3 3.8Å; F28-W40 HydrophobicContact CD1-CH2 4.5Å; F28-W40 AromaticContact CD1-CZ2 3.89Å; F28-W40 HydrophobicContact CD1-CZ2 3.89Å; F28-W40 HydrophobicContact CE1-CZ2 4.22Å; F28-W40 HydrophobicContact CG-CZ2 4.24Å; W40-S59 CarbonylContact O-C 3.58Å; W40-S59 WeakPolarHBondContact O-CA 3.39Å; W40-V60 HydrophobicContact CB-CG2 3.84Å; W40-V60 PolarHBondContact N-O 2.82Å; W40-V60 PolarHBondContact O-N 2.84Å; W40-F72 HydrophobicContact CD2-CZ 4.04Å; W40-F72 AromaticContact CG-CZ 3.99Å; W40-F72 HydrophobicContact CG-CZ 3.99Å; W40-F72 HydrophobicContact CZ2-CE1 4.48Å; W40-F74 HydrophobicContact CB-CD1 4.09Å; W40-F74 HydrophobicContact CB-CE1 3.6Å; W40-F74 HydrophobicContact CB-CZ 4.34Å; W40-F74 WeakPolarHBondContact O-CZ 3.47Å; W40-I97 HydrophobicContact CE3-CG2 3.93Å; W40-I97 HydrophobicContact CZ3-CG2 4.22Å; W40-T98 VanDerWaalsContact CA-O 3.32Å; W40-T98 WeakPolarHBondContact CA-O 3.33Å; W40-C99 HydrophobicContact CD2-CB 3.84Å; W40-C99 VanDerWaalsContact CD2-SG 3.59Å; W40-C99 HydrophobicContact CE3-CB 3.67Å; W40-C99 HydrophobicContact CH2-CB 3.96Å; W40-C99 HydrophobicContact CZ2-CB 4.12Å; W40-C99 VanDerWaalsContact CZ2-SG 3.54Å; W40-C99 HydrophobicContact CZ3-CB 3.74Å
41K98.8Very high96.2Very high55 Ų5555.5 Ų55.524%0.23930%0.295CS..EExtended strand (participates in β ladder)trans-125143.6175.4-64.5177.3178.1155.60111.4E39 I43 T56 D58 S59 I97 T98E39-K41 WeakPolarHBondContact OE1-CE 3.11Å; E39-K41 IonicContact OE1-NZ 2.78Å; E39-K41 PolarHBondContact OE1-NZ 3.21Å; E39-K41 VanDerWaalsContact OE2-CE 3.28Å; E39-K41 WeakPolarHBondContact OE2-CE 3.38Å; E39-K41 IonicContact OE2-NZ 3.64Å; E39-K41 PolarHBondContact OE2-NZ 3.13Å; K41-I43 HydrophobicContact CB-CD1 4.47Å; K41-I43 HydrophobicContact CB-CG1 4.2Å; K41-T56 HydrophobicContact CB-CG2 4.4Å; K41-T56 HydrophobicContact CD-CG2 4.28Å; K41-T56 HydrophobicContact CG-CG2 4.37Å; K41-D58 WeakPolarHBondContact CA-O 3.33Å; K41-S59 WeakPolarHBondContact CE-OG 3.36Å; K41-S59 WeakPolarHBondContact CG-OG 3.41Å; K41-I97 VanDerWaalsContact O-CA 3.29Å; K41-I97 WeakPolarHBondContact O-CA 3.48Å; K41-T98 PolarHBondContact N-O 3Å; K41-T98 PolarHBondContact O-N 2.84Å
42I98.7Very high96.2Very high0 Ų059 Ų590%031%0.311CS..EExtended strand (participates in β ladder)trans-103.2124.4162.5-64163.8000107.1F24 T56 L57 D58 F74 A76 L96 I97F24-I42 HydrophobicContact CD2-CD1 3.78Å; F24-I42 HydrophobicContact CD2-CG1 4.23Å; F24-I42 HydrophobicContact CE2-CD1 4.06Å; F24-I42 HydrophobicContact CE2-CG1 4.26Å; F24-I42 HydrophobicContact CE2-CG2 4.28Å; I42-T56 CarbonylContact O-C 3.56Å; I42-L57 HydrophobicContact CB-CB 4.36Å; I42-L57 HydrophobicContact CG2-CB 4.2Å; I42-L57 HydrophobicContact CG2-CD1 3.77Å; I42-L57 HydrophobicContact CG2-CG 4.17Å; I42-L57 PolarHBondContact O-N 3.01Å; I42-D58 PolarHBondContact N-O 2.91Å; I42-D58 VanDerWaalsContact N-O 3.12Å; I42-F74 HydrophobicContact CD1-CB 4.47Å; I42-F74 HydrophobicContact CD1-CD1 3.81Å; I42-F74 HydrophobicContact CD1-CD2 3.94Å; I42-F74 HydrophobicContact CD1-CE1 3.94Å; I42-F74 HydrophobicContact CD1-CE2 4.04Å; I42-F74 HydrophobicContact CD1-CG 3.81Å; I42-F74 HydrophobicContact CD1-CZ 4.05Å; I42-F74 HydrophobicContact CG1-CD1 3.84Å; I42-F74 HydrophobicContact CG1-CE1 3.62Å; I42-F74 HydrophobicContact CG1-CE2 4.46Å; I42-F74 HydrophobicContact CG1-CG 4.36Å; I42-F74 HydrophobicContact CG1-CZ 3.96Å; I42-A76 HydrophobicContact CB-CB 4.27Å; I42-A76 HydrophobicContact CD1-CB 3.68Å; I42-L96 CarbonylContact C-O 3.57Å; I42-L96 WeakPolarHBondContact CA-O 3.41Å; I42-I97 HydrophobicContact CG1-CG1 4.43Å
43I98.8Very high96.4Very high26 Ų2659.4 Ų59.413%0.13331%0.309CS..EExtended strand (participates in β ladder)trans-122.9128.2-179-53.4167.5000108.2K41 D54 Q55 A95 L96 T98K41-I43 HydrophobicContact CB-CD1 4.47Å; K41-I43 HydrophobicContact CB-CG1 4.2Å; I43-D54 HydrophobicContact CG2-CB 4Å; I43-Q55 CarbonylContact C-O 3.58Å; I43-Q55 WeakPolarHBondContact CA-O 3.45Å; I43-A95 CarbonylContact O-C 3.59Å; I43-A95 WeakPolarHBondContact O-CA 3.17Å; I43-L96 HydrophobicContact CB-CB 4.24Å; I43-L96 PolarHBondContact N-O 2.78Å; I43-L96 PolarHBondContact O-N 2.89Å; I43-T98 HydrophobicContact CD1-CG2 4.15Å
44Y98.8Very high96.5Very high1 Ų156.5 Ų56.50%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-100.8127.2173.7-175.2-90000109.6F22 G46 D54 Q55 P79 I84 T93 N115F22-Y44 HydrophobicContact CE2-CD2 4.19Å; F22-Y44 AromaticContact CZ-CD2 3.74Å; F22-Y44 HydrophobicContact CZ-CD2 3.74Å; F22-Y44 HydrophobicContact CZ-CE2 4.07Å; Y44-G46 PolarHBondContact O-N 3.11Å; Y44-D54 WeakPolarHBondContact O-CA 3.34Å; Y44-Q55 PolarHBondContact N-O 2.93Å; Y44-Q55 PolarHBondContact O-N 3.23Å; Y44-P79 HydrophobicContact CD1-CB 3.8Å; Y44-P79 HydrophobicContact CD1-CG 3.83Å; Y44-P79 HydrophobicContact CD2-CG 3.99Å; Y44-P79 HydrophobicContact CE1-CB 4.28Å; Y44-P79 HydrophobicContact CE1-CG 3.93Å; Y44-P79 HydrophobicContact CE2-CG 4.08Å; Y44-P79 HydrophobicContact CG-CB 3.95Å; Y44-P79 HydrophobicContact CG-CG 3.84Å; Y44-I84 HydrophobicContact CE1-CD1 3.81Å; Y44-I84 HydrophobicContact CE1-CG1 4.4Å; Y44-T93 HydrophobicContact CE1-CG2 4.31Å; Y44-T93 HydrophobicContact CE2-CG2 3.9Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.11Å; Y44-N115 PolarHBondContact OH-ND2 3.15Å
45V98.6Very high96.7Very high21 Ų2157.5 Ų57.513%0.12730%0.298CS..  trans-80111.2176.8178.30000108.7S47 D54 T93 V94 L96V45-S47 VanDerWaalsContact CG1-O 3.26Å; V45-S47 WeakPolarHBondContact CG1-O 3.49Å; V45-D54 WeakPolarHBondContact CA-OD1 3.2Å; V45-T93 PolarHBondContact O-OG1 3.43Å; V45-V94 HydrophobicContact CB-CB 4.27Å; V45-V94 WeakPolarHBondContact CB-O 3.32Å; V45-V94 HydrophobicContact CG2-CB 3.96Å; V45-V94 HydrophobicContact CG2-CG1 4.43Å; V45-V94 WeakPolarHBondContact CG2-O 3.19Å; V45-V94 PolarHBondContact N-O 2.97Å; V45-L96 HydrophobicContact CG2-CD1 4.31Å; V45-L96 HydrophobicContact CG2-CG 4.42Å
46G97.1Very high96.9Very high1 Ų157 Ų571%0.0129%0.293CS..SBendtrans-74.8-31.3-177.700000113.2Y44 Y53 D88Y44-G46 PolarHBondContact O-N 3.11Å; G46-Y53 WeakPolarHBondContact CA-O 3.34Å; G46-Y53 PolarHBondContact N-O 2.78Å; G46-D88 WeakPolarHBondContact O-CB 3.21Å
47S95.7Very high97Very high4 Ų454.4 Ų54.43%0.02828%0.282CS..  trans-149.1142.1176.2-176.80000109.9V45 E49 D88V45-S47 VanDerWaalsContact CG1-O 3.26Å; V45-S47 WeakPolarHBondContact CG1-O 3.49Å; S47-E49 PolarHBondContact O-N 2.75Å; S47-E49 PolarHBondContact OG-N 2.76Å; S47-D88 WeakPolarHBondContact CB-OD2 2.97Å; S47-D88 PolarHBondContact OG-OD2 2.82Å
48A91.1Very high97.1Very high92 Ų9254.4 Ų54.476%0.7628%0.282SS*.SBendtrans-71.8-14.8174.600000112.8
49E92.7Very high97.1Very high177 Ų17756.6 Ų56.683%0.82730%0.298SS*.SBendtrans-87.9-22.9-174.8-59.1-170.9165.400113.1S47S47-E49 PolarHBondContact O-N 2.75Å; S47-E49 PolarHBondContact OG-N 2.76Å
50S93.4Very high97.1Very high33 Ų3356.2 Ų56.223%0.23130%0.298CS..  trans-154.7131.4-175.7179.20000112.6E52 Y53S50-E52 PolarHBondContact O-N 2.86Å; S50-E52 WeakPolarHBondContact OG-CB 3.35Å; S50-E52 WeakPolarHBondContact OG-CG 3.46Å; S50-E52 PolarHBondContact OG-N 2.84Å; S50-Y53 PolarHBondContact O-N 2.99Å
51E94.8Very high97Very high158 Ų15861.5 Ų61.574%0.73833%0.326SS*.G310 helixtrans-68.7-11.1172.9-59.8-176.7167.500112.4Y53 D54E51-Y53 PolarHBondContact O-N 2.96Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.39Å; E51-D54 PolarHBondContact O-N 3.19Å
52E96.7Very high96.9Very high173 Ų17360.9 Ų60.981%0.80833%0.327SS*.G310 helixtrans-63.6-21176.6-64177175.700112.8S50S50-E52 PolarHBondContact O-N 2.86Å; S50-E52 WeakPolarHBondContact OG-CB 3.35Å; S50-E52 WeakPolarHBondContact OG-CG 3.46Å; S50-E52 PolarHBondContact OG-N 2.84Å
53Y97.6Very high96.5Very high99 Ų9962.6 Ų62.639%0.38834%0.344SS..G310 helixtrans-93.20.9176.4-58.8-76.7000112.9G46 S50 E51 Q55 L83 P85G46-Y53 WeakPolarHBondContact CA-O 3.34Å; G46-Y53 PolarHBondContact N-O 2.78Å; S50-Y53 PolarHBondContact O-N 2.99Å; E51-Y53 PolarHBondContact O-N 2.96Å; Y53-Q55 PolarHBondContact O-N 2.64Å; Y53-L83 VanDerWaalsContact CD1-O 3.32Å; Y53-L83 WeakPolarHBondContact CD1-O 3.28Å; Y53-P85 HydrophobicContact CD1-CG 3.87Å; Y53-P85 HydrophobicContact CD2-CG 4.22Å; Y53-P85 HydrophobicContact CE1-CG 3.76Å; Y53-P85 HydrophobicContact CE2-CG 4.13Å; Y53-P85 HydrophobicContact CG-CG 4.08Å
54D98.3Very high96.1Very high51 Ų5166 Ų6627%0.27337%0.369SS..  trans-67.7130.7177.5-74.55.3000110.4I43 Y44 V45 E51I43-D54 HydrophobicContact CG2-CB 4Å; Y44-D54 WeakPolarHBondContact O-CA 3.34Å; V45-D54 WeakPolarHBondContact CA-OD1 3.2Å; E51-D54 VanDerWaalsContact O-CB 3.26Å; E51-D54 WeakPolarHBondContact O-CB 3.39Å; E51-D54 PolarHBondContact O-N 3.19Å
55Q98.6Very high95.9Very high24 Ų2466.2 Ų66.211%0.11237%0.37CS..EExtended strand (participates in β ladder)trans-114.6116.2-178.3-61.2-176.25000109.2I43 Y44 Y53 L57 N80I43-Q55 CarbonylContact C-O 3.58Å; I43-Q55 WeakPolarHBondContact CA-O 3.45Å; Y44-Q55 PolarHBondContact N-O 2.93Å; Y44-Q55 PolarHBondContact O-N 3.23Å; Y53-Q55 PolarHBondContact O-N 2.64Å; Q55-L57 HydrophobicContact CB-CD2 4.14Å; Q55-L57 PolarHBondContact O-N 2.9Å; Q55-N80 PolarHBondContact NE2-O 3.12Å
56T98.6Very high95.8Very high83 Ų8368.7 Ų68.751%0.50939%0.386SS..EExtended strand (participates in β ladder)trans-72.1108.7166.2-59.50000108K41 I42K41-T56 HydrophobicContact CB-CG2 4.4Å; K41-T56 HydrophobicContact CD-CG2 4.28Å; K41-T56 HydrophobicContact CG-CG2 4.37Å; I42-T56 CarbonylContact O-C 3.56Å
57L98.6Very high95.8Very high31 Ų3171 Ų7116%0.16241%0.405CS..EExtended strand (participates in β ladder)trans-75.2-40.8-176.9-54.6-171.2000111.5F22 I42 Q55 A76 D77 P79F22-L57 HydrophobicContact CD2-CD1 3.37Å; F22-L57 HydrophobicContact CE2-CD1 3.51Å; F22-L57 HydrophobicContact CG-CD1 4.19Å; F22-L57 HydrophobicContact CZ-CD1 4.41Å; I42-L57 HydrophobicContact CB-CB 4.36Å; I42-L57 HydrophobicContact CG2-CB 4.2Å; I42-L57 HydrophobicContact CG2-CD1 3.77Å; I42-L57 HydrophobicContact CG2-CG 4.17Å; I42-L57 PolarHBondContact O-N 3.01Å; Q55-L57 HydrophobicContact CB-CD2 4.14Å; Q55-L57 PolarHBondContact O-N 2.9Å; L57-A76 HydrophobicContact CB-CB 3.68Å; L57-D77 WeakPolarHBondContact CD1-O 3.11Å; L57-P79 HydrophobicContact CD2-CB 3.86Å
58D98.3Very high95.9Very high63 Ų6372.2 Ų72.234%0.33742%0.418SS..EExtended strand (participates in β ladder)trans-157.1157.7173.6-16210.8000111.1K41 I42 F74 A76K41-D58 WeakPolarHBondContact CA-O 3.33Å; I42-D58 PolarHBondContact N-O 2.91Å; I42-D58 VanDerWaalsContact N-O 3.12Å; D58-F74 HydrophobicContact CB-CE2 3.95Å; D58-F74 HydrophobicContact CB-CZ 4.31Å; D58-A76 HydrophobicContact CB-CB 3.55Å
59S98.1Very high96.2Very high47 Ų4776 Ų7633%0.32941%0.413SS..EExtended strand (participates in β ladder)trans-136120.9174.3-168.60000110E39 W40 K41E39-S59 WeakPolarHBondContact CG-OG 3.26Å; E39-S59 PolarHBondContact OE1-OG 2.92Å; W40-S59 CarbonylContact O-C 3.58Å; W40-S59 WeakPolarHBondContact O-CA 3.39Å; K41-S59 WeakPolarHBondContact CE-OG 3.36Å; K41-S59 WeakPolarHBondContact CG-OG 3.41Å
60V97.8Very high96.5Very high40 Ų4070.2 Ų70.224%0.24239%0.385CS..EExtended strand (participates in β ladder)trans-122.5138.2-179.6-60.80000111.4E39 W40 F72 F74E39-V60 WeakPolarHBondContact CA-O 3.34Å; W40-V60 HydrophobicContact CB-CG2 3.84Å; W40-V60 PolarHBondContact N-O 2.82Å; W40-V60 PolarHBondContact O-N 2.84Å; V60-F72 HydrophobicContact CG2-CE2 4.28Å; V60-F74 HydrophobicContact CB-CE2 4.15Å; V60-F74 HydrophobicContact CB-CZ 4.37Å; V60-F74 HydrophobicContact CG1-CD2 4.14Å; V60-F74 HydrophobicContact CG1-CE2 3.52Å; V60-F74 HydrophobicContact CG1-CZ 4.13Å; V60-F74 HydrophobicContact CG2-CD1 4.31Å; V60-F74 HydrophobicContact CG2-CD2 3.93Å; V60-F74 HydrophobicContact CG2-CE1 3.97Å; V60-F74 HydrophobicContact CG2-CE2 3.58Å; V60-F74 HydrophobicContact CG2-CG 4.3Å; V60-F74 HydrophobicContact CG2-CZ 3.6Å
61L97.3Very high96.7Very high113 Ų11374.1 Ų74.159%0.59240%0.402SS*.EExtended strand (participates in β ladder)trans-95.9130.3173.4-63.2176.2000109.5D37 L38 E39D37-L61 HydrophobicContact CB-CB 4.13Å; D37-L61 HydrophobicContact CB-CD2 4.26Å; L38-L61 CarbonylContact O-C 3.56Å; L38-L61 WeakPolarHBondContact O-CA 3.38Å; E39-L61 HydrophobicContact CB-CD2 3.7Å; E39-L61 HydrophobicContact CG-CD2 3.84Å
62V95.8Very high96.8Very high41 Ų4168.7 Ų68.725%0.24838%0.376CS..EExtended strand (participates in β ladder)trans-122.2103176.4-177.70000107.7F28 L38 V65 F72F28-V62 HydrophobicContact CZ-CG1 4.36Å; L38-V62 PolarHBondContact N-O 3.36Å; L38-V62 PolarHBondContact O-N 2.82Å; V62-V65 HydrophobicContact CG1-CG2 4.34Å; V62-V65 WeakPolarHBondContact O-CG2 3.34Å; V62-F72 HydrophobicContact CG2-CZ 4.28Å
63G91.3Very high96.9Very high36 Ų3664.2 Ų64.237%0.37136%0.36SS..  trans178.8176.317200000114.9D37D37-G63 WeakPolarHBondContact OD1-CA 3.38Å
64P88.9Confident96.9Very high99 Ų9959.7 Ų59.764%0.64334%0.342SS*.SBendcis-62.4149.6-8.227.5-34.5000111.5P66P64-P66 WeakPolarHBondContact O-CD 3.39Å
65V94.9Very high96.9Very high5 Ų561.9 Ų61.93%0.0335%0.351CS..BIsolated β-bridgetrans-108.5106.8-169.6-173.90000110.6F28 C30 L34 L38 V62F28-V65 HydrophobicContact CE2-CG1 3.9Å; F28-V65 HydrophobicContact CZ-CG1 4.32Å; C30-V65 HydrophobicContact CB-CG1 4.06Å; L34-V65 HydrophobicContact CB-CB 4.16Å; L34-V65 HydrophobicContact CD1-CB 4.41Å; L34-V65 PolarHBondContact N-O 3.39Å; L34-V65 PolarHBondContact O-N 3.28Å; L34-V65 VanDerWaalsContact O-N 3.14Å; L38-V65 HydrophobicContact CD1-CG2 4.27Å; L38-V65 HydrophobicContact CG-CG2 4.22Å; V62-V65 HydrophobicContact CG1-CG2 4.34Å; V62-V65 WeakPolarHBondContact O-CG2 3.34Å
66P96.4Very high96.9Very high73 Ų7360.9 Ų60.947%0.47435%0.347SS..  trans-65.8157.8175.4-19.532.5000112.3D33 P64 H70D33-P66 WeakPolarHBondContact OD1-CA 3.33Å; P64-P66 WeakPolarHBondContact O-CD 3.39Å; P66-H70 PolarHBondContact O-NE2 2.77Å
67A97.4Very high96.9Very high49 Ų4962.5 Ų62.541%0.40535%0.352SS..SBendtrans-57.8142.9168.400000111.1C30 D33C30-A67 WeakPolarHBondContact O-CA 3.43Å; D33-A67 PolarHBondContact OD1-N 2.96Å
68G97.4Very high96.9Very high29 Ų2962.4 Ų62.430%0.29936%0.356SS..EExtended strand (participates in β ladder)trans122.3-170.2179.400000113.5E29 C30 H70E29-G68 WeakPolarHBondContact CA-O 3.49Å; C30-G68 PolarHBondContact N-O 3.17Å; C30-G68 PolarHBondContact O-N 3.29Å; G68-H70 PolarHBondContact O-CD2 2.87Å
69R97.9Very high96.9Very high173 Ų17359.8 Ų59.865%0.65334%0.342SS*.EExtended strand (participates in β ladder)trans-96.8130.7-175.9-177.1173.4174161-2.4110.9L7 T27 F28L7-R69 HydrophobicContact CD1-CG 4.08Å; T27-R69 HydrophobicContact CG2-CG 4.11Å; T27-R69 VanDerWaalsContact CG2-NE 3.3Å; F28-R69 WeakPolarHBondContact O-CA 3.26Å
70H97.8Very high96.9Very high54 Ų5461.9 Ų61.925%0.2535%0.35CS..EExtended strand (participates in β ladder)trans-124.3151.8-178-58-71.3000110.5T27 F28 P66 G68T27-H70 WeakPolarHBondContact CA-O 3.38Å; F28-H70 HydrophobicContact CD1-CB 4.25Å; F28-H70 HydrophobicContact CD2-CB 4.39Å; F28-H70 HydrophobicContact CE1-CB 3.74Å; F28-H70 HydrophobicContact CE2-CB 3.9Å; F28-H70 AromaticContact CE2-CD2 3.69Å; F28-H70 HydrophobicContact CZ-CB 3.56Å; F28-H70 PolarHBondContact N-O 3.03Å; F28-H70 PolarHBondContact O-N 3.26Å; P66-H70 PolarHBondContact O-NE2 2.77Å; G68-H70 PolarHBondContact O-CD2 2.87Å
71M97.6Very high96.8Very high116 Ų11662.7 Ų62.757%0.57136%0.355SS*.EExtended strand (participates in β ladder)trans-145.7136.3176.9-176.2-170.478.100109.4E25 I26E25-M71 HydrophobicContact CG-CG 3.88Å; E25-M71 HydrophobicContact CG-SD 4.01Å; I26-M71 VanDerWaalsContact O-CA 3.26Å; I26-M71 WeakPolarHBondContact O-CA 3.28Å
72F97.6Very high96.8Very high44 Ų4460.5 Ų60.519%0.19336%0.36CS..EExtended strand (participates in β ladder)trans-149.6159.217371.7-76000110.9I26 F28 W40 V60 V62 F74I26-F72 HydrophobicContact CB-CD1 4.32Å; I26-F72 HydrophobicContact CB-CE1 3.88Å; I26-F72 HydrophobicContact CB-CZ 4.22Å; I26-F72 HydrophobicContact CD1-CE1 4.45Å; I26-F72 HydrophobicContact CD1-CZ 3.96Å; I26-F72 HydrophobicContact CG2-CE1 4.03Å; I26-F72 PolarHBondContact N-O 3.01Å; I26-F72 PolarHBondContact O-N 3.44Å; F28-F72 HydrophobicContact CD1-CD1 4.48Å; F28-F72 HydrophobicContact CD1-CE1 4.17Å; F28-F72 AromaticContact CE1-CD1 3.95Å; F28-F72 HydrophobicContact CE1-CD1 3.95Å; F28-F72 AromaticContact CE1-CE1 3.76Å; F28-F72 HydrophobicContact CE1-CE1 3.76Å; W40-F72 HydrophobicContact CD2-CZ 4.04Å; W40-F72 AromaticContact CG-CZ 3.99Å; W40-F72 HydrophobicContact CG-CZ 3.99Å; W40-F72 HydrophobicContact CZ2-CE1 4.48Å; V60-F72 HydrophobicContact CG2-CE2 4.28Å; V62-F72 HydrophobicContact CG2-CZ 4.28Å; F72-F74 HydrophobicContact CD2-CB 4.22Å; F72-F74 HydrophobicContact CE2-CB 3.67Å; F72-F74 HydrophobicContact CE2-CD1 4.35Å; F72-F74 HydrophobicContact CE2-CG 4.02Å; F72-F74 HydrophobicContact CZ-CB 4.44Å
73V98.1Very high96.9Very high78 Ų7863.2 Ų63.247%0.47337%0.372SS..EExtended strand (participates in β ladder)trans-95.7120.2172.11790000108.1L12 F24 E25L12-V73 HydrophobicContact CD1-CG1 4.3Å; F24-V73 CarbonylContact O-C 3.59Å; F24-V73 WeakPolarHBondContact O-CA 3.47Å; E25-V73 HydrophobicContact CB-CG2 4.49Å; E25-V73 HydrophobicContact CG-CG2 4.5Å
74F98.2Very high97.2Very high5 Ų561.9 Ų61.92%0.02236%0.357CS..EExtended strand (participates in β ladder)trans-101.5111.7174.4-164.6-175.7000109F24 I26 W40 I42 D58 V60 F72F24-F74 PolarHBondContact N-O 3.19Å; F24-F74 PolarHBondContact O-N 3.31Å; I26-F74 HydrophobicContact CD1-CB 4.03Å; I26-F74 HydrophobicContact CD1-CD1 3.97Å; W40-F74 HydrophobicContact CB-CD1 4.09Å; W40-F74 HydrophobicContact CB-CE1 3.6Å; W40-F74 HydrophobicContact CB-CZ 4.34Å; W40-F74 WeakPolarHBondContact O-CZ 3.47Å; I42-F74 HydrophobicContact CD1-CB 4.47Å; I42-F74 HydrophobicContact CD1-CD1 3.81Å; I42-F74 HydrophobicContact CD1-CD2 3.94Å; I42-F74 HydrophobicContact CD1-CE1 3.94Å; I42-F74 HydrophobicContact CD1-CE2 4.04Å; I42-F74 HydrophobicContact CD1-CG 3.81Å; I42-F74 HydrophobicContact CD1-CZ 4.05Å; I42-F74 HydrophobicContact CG1-CD1 3.84Å; I42-F74 HydrophobicContact CG1-CE1 3.62Å; I42-F74 HydrophobicContact CG1-CE2 4.46Å; I42-F74 HydrophobicContact CG1-CG 4.36Å; I42-F74 HydrophobicContact CG1-CZ 3.96Å; D58-F74 HydrophobicContact CB-CE2 3.95Å; D58-F74 HydrophobicContact CB-CZ 4.31Å; V60-F74 HydrophobicContact CB-CE2 4.15Å; V60-F74 HydrophobicContact CB-CZ 4.37Å; V60-F74 HydrophobicContact CG1-CD2 4.14Å; V60-F74 HydrophobicContact CG1-CE2 3.52Å; V60-F74 HydrophobicContact CG1-CZ 4.13Å; V60-F74 HydrophobicContact CG2-CD1 4.31Å; V60-F74 HydrophobicContact CG2-CD2 3.93Å; V60-F74 HydrophobicContact CG2-CE1 3.97Å; V60-F74 HydrophobicContact CG2-CE2 3.58Å; V60-F74 HydrophobicContact CG2-CG 4.3Å; V60-F74 HydrophobicContact CG2-CZ 3.6Å; F72-F74 HydrophobicContact CD2-CB 4.22Å; F72-F74 HydrophobicContact CE2-CB 3.67Å; F72-F74 HydrophobicContact CE2-CD1 4.35Å; F72-F74 HydrophobicContact CE2-CG 4.02Å; F72-F74 HydrophobicContact CZ-CB 4.44Å
75Q98.1Very high97.6Very high96 Ų9658.5 Ų58.545%0.44933%0.334SS..EExtended strand (participates in β ladder)trans-115.2135.7179.5179.5176.6-31.900110.1P21 F22 Q23P21-Q75 HydrophobicContact CB-CG 3.78Å; F22-Q75 CarbonylContact O-C 3.55Å; F22-Q75 WeakPolarHBondContact O-CA 3.37Å; F22-Q75 WeakPolarHBondContact O-CG 3.38Å; Q23-Q75 HydrophobicContact CG-CB 4.21Å; Q23-Q75 HydrophobicContact CG-CG 3.83Å
76A98.3Very high97.6Very high3 Ų363.3 Ų63.33%0.02536%0.357CS..EExtended strand (participates in β ladder)trans-137.1146.7175.700000110.8P21 F22 I42 L57 D58P21-A76 CarbonylContact C-O 3.4Å; P21-A76 WeakPolarHBondContact CA-O 3.49Å; P21-A76 VanDerWaalsContact CB-O 3.28Å; P21-A76 WeakPolarHBondContact CB-O 3.35Å; F22-A76 PolarHBondContact N-O 2.85Å; F22-A76 PolarHBondContact O-N 3.46Å; I42-A76 HydrophobicContact CB-CB 4.27Å; I42-A76 HydrophobicContact CD1-CB 3.68Å; L57-A76 HydrophobicContact CB-CB 3.68Å; D58-A76 HydrophobicContact CB-CB 3.55Å
77D98.5Very high97.5Very high118 Ų11864.7 Ų64.763%0.63137%0.368SS*.PPolyproline II helixtrans-63.9161.1177.2-71.8-29.7000111.8L57L57-D77 WeakPolarHBondContact CD1-O 3.11Å
78A98.3Very high97.4Very high29 Ų2964.3 Ų64.324%0.2436%0.359CS..PPolyproline II helixtrans-63.8152.9176.400000111.7F18F18-A78 WeakPolarHBondContact O-CB 3.39Å
79P98.4Very high97.4Very high7 Ų763 Ų635%0.04535%0.345CS..PPolyproline II helixtrans-60.1153.7176.626.8-37.7000111.9F18 Y44 L57 T81 I84F18-P79 HydrophobicContact CE1-CG 4Å; F18-P79 HydrophobicContact CE2-CG 4.5Å; F18-P79 HydrophobicContact CZ-CG 3.62Å; Y44-P79 HydrophobicContact CD1-CB 3.8Å; Y44-P79 HydrophobicContact CD1-CG 3.83Å; Y44-P79 HydrophobicContact CD2-CG 3.99Å; Y44-P79 HydrophobicContact CE1-CB 4.28Å; Y44-P79 HydrophobicContact CE1-CG 3.93Å; Y44-P79 HydrophobicContact CE2-CG 4.08Å; Y44-P79 HydrophobicContact CG-CB 3.95Å; Y44-P79 HydrophobicContact CG-CG 3.84Å; L57-P79 HydrophobicContact CD2-CB 3.86Å; P79-T81 PolarHBondContact O-N 2.88Å; P79-I84 HydrophobicContact CB-CD1 4.22Å; P79-I84 HydrophobicContact CG-CD1 4.1Å
80N98.1Very high97.3Very high92 Ų9257.5 Ų57.549%0.49233%0.331SS..  trans-70113.7171-176.1-11.4000109.8Q55 G82 L83Q55-N80 PolarHBondContact NE2-O 3.12Å; N80-G82 PolarHBondContact O-N 2.77Å; N80-G82 PolarHBondContact OD1-N 2.83Å; N80-L83 HydrophobicContact CB-CD1 4.17Å; N80-L83 HydrophobicContact CB-CG 4.3Å; N80-L83 PolarHBondContact O-N 3.35Å
81T97.3Very high97.2Very high57 Ų5756 Ų5635%0.3533%0.33SS..G310 helixtrans-65.2-24-178.256.10000113.8F18 P79 L83 I84 Y132F18-T81 HydrophobicContact CD1-CG2 4.19Å; F18-T81 HydrophobicContact CE1-CG2 3.52Å; F18-T81 HydrophobicContact CZ-CG2 4.3Å; P79-T81 PolarHBondContact O-N 2.88Å; T81-L83 PolarHBondContact O-N 2.67Å; T81-I84 PolarHBondContact O-N 2.92Å; T81-Y132 HydrophobicContact CG2-CD1 3.48Å; T81-Y132 VanDerWaalsContact CG2-CD1 3.48Å; T81-Y132 HydrophobicContact CG2-CD2 3.65Å; T81-Y132 HydrophobicContact CG2-CE1 3.76Å; T81-Y132 HydrophobicContact CG2-CE2 3.93Å; T81-Y132 HydrophobicContact CG2-CG 3.4Å; T81-Y132 PolarHBondContact O-OH 2.83Å
82G96.9Very high97.2Very high67 Ų6755.2 Ų55.269%0.69133%0.331SS*.G310 helixtrans-74-12.9177.800000114.1N80N80-G82 PolarHBondContact O-N 2.77Å; N80-G82 PolarHBondContact OD1-N 2.83Å
83L96.9Very high97.2Very high97 Ų9753.7 Ų53.751%0.50833%0.326SS..G310 helixtrans-101.7-2.2177.6-59.4179.3000112.6Y53 N80 T81Y53-L83 VanDerWaalsContact CD1-O 3.32Å; Y53-L83 WeakPolarHBondContact CD1-O 3.28Å; N80-L83 HydrophobicContact CB-CD1 4.17Å; N80-L83 HydrophobicContact CB-CG 4.3Å; N80-L83 PolarHBondContact O-N 3.35Å; T81-L83 PolarHBondContact O-N 2.67Å
84I97.8Very high97.2Very high9 Ų951.8 Ų51.85%0.04631%0.314CS..SBendtrans-94.6124.9178.9-59.6172.4000107.9F18 Y44 P79 T81 E86 A89 Y132F18-I84 HydrophobicContact CZ-CD1 3.77Å; Y44-I84 HydrophobicContact CE1-CD1 3.81Å; Y44-I84 HydrophobicContact CE1-CG1 4.4Å; P79-I84 HydrophobicContact CB-CD1 4.22Å; P79-I84 HydrophobicContact CG-CD1 4.1Å; T81-I84 PolarHBondContact O-N 2.92Å; I84-E86 PolarHBondContact O-N 3.35Å; I84-A89 HydrophobicContact CG2-CB 4.36Å; I84-Y132 WeakPolarHBondContact CB-OH 3.35Å; I84-Y132 HydrophobicContact CD1-CE1 4.25Å
85P96.8Very high97.2Very high27 Ų2751.5 Ų51.518%0.17531%0.313CS..  trans-55.2136.3172.1-2636.3000111.4Y53 S87 D88 A89Y53-P85 HydrophobicContact CD1-CG 3.87Å; Y53-P85 HydrophobicContact CD2-CG 4.22Å; Y53-P85 HydrophobicContact CE1-CG 3.76Å; Y53-P85 HydrophobicContact CE2-CG 4.13Å; Y53-P85 HydrophobicContact CG-CG 4.08Å; P85-S87 PolarHBondContact O-N 2.77Å; P85-S87 VanDerWaalsContact O-N 3.13Å; P85-D88 HydrophobicContact CB-CB 4.43Å; P85-D88 PolarHBondContact O-N 2.93Å; P85-A89 PolarHBondContact O-N 2.8Å
86E95.6Very high97.2Very high107 Ų10748 Ų4850%0.530%0.297SS..THydrogen-bonded Turntrans-59.3-30.8-175.5-65-174.616100112.6I84 D88 P130I84-E86 PolarHBondContact O-N 3.35Å; E86-D88 VanDerWaalsContact C-N 3.29Å; E86-D88 PolarHBondContact O-N 3.29Å; E86-P130 HydrophobicContact CB-CG 4.14Å; E86-P130 WeakPolarHBondContact O-CG 3.29Å
87S94.7Very high97.3Very high101 Ų10148 Ų4871%0.70630%0.297SS*.THydrogen-bonded Turntrans-67-25.7175.549.10000114.1P85P85-S87 PolarHBondContact O-N 2.77Å; P85-S87 VanDerWaalsContact O-N 3.13Å
88D96.2Very high97.3Very high42 Ų4242.6 Ų42.623%0.22527%0.268CS..THydrogen-bonded Turntrans-103.5-4.6-175.5-65.4-46.8000112.8G46 S47 P85 E86 V90G46-D88 WeakPolarHBondContact O-CB 3.21Å; S47-D88 WeakPolarHBondContact CB-OD2 2.97Å; S47-D88 PolarHBondContact OG-OD2 2.82Å; P85-D88 HydrophobicContact CB-CB 4.43Å; P85-D88 PolarHBondContact O-N 2.93Å; E86-D88 VanDerWaalsContact C-N 3.29Å; E86-D88 PolarHBondContact O-N 3.29Å; D88-V90 VanDerWaalsContact C-N 3.33Å; D88-V90 PolarHBondContact O-N 2.87Å
89A95.4Very high97.3Very high0 Ų041.2 Ų41.20%026%0.256CS..SBendtrans-63.9-37.4-178.600000113.1I84 P85 N115 P130 Y132I84-A89 HydrophobicContact CG2-CB 4.36Å; P85-A89 PolarHBondContact O-N 2.8Å; A89-N115 WeakPolarHBondContact O-CB 3.49Å; A89-P130 HydrophobicContact CB-CB 3.66Å; A89-P130 HydrophobicContact CB-CG 3.49Å; A89-P130 VanDerWaalsContact CB-CG 3.49Å; A89-Y132 HydrophobicContact CB-CE1 3.94Å; A89-Y132 VanDerWaalsContact CB-OH 3.24Å; A89-Y132 WeakPolarHBondContact CB-OH 3.46Å
90V96.7Very high97.3Very high58 Ų5841.5 Ų41.535%0.35226%0.258SS..SBendtrans-112.5133.2-178.2-173.40000109.3D88 N115 Y117 L135D88-V90 VanDerWaalsContact C-N 3.33Å; D88-V90 PolarHBondContact O-N 2.87Å; V90-N115 WeakPolarHBondContact CG1-O 3.37Å; V90-Y117 HydrophobicContact CG2-CE2 3.9Å; V90-L135 HydrophobicContact CG2-CD1 4.28Å; V90-L135 HydrophobicContact CG2-CD2 3.96Å
91G96Very high97.2Very high23 Ų2337.2 Ų37.224%0.23724%0.235CC..EExtended strand (participates in β ladder)trans114.7-153.5-176.800000112.2N114 N115G91-N114 WeakPolarHBondContact O-CA 3.14Å; G91-N114 PolarHBondContact O-OD1 2.82Å; G91-N115 PolarHBondContact N-O 3.12Å; G91-N115 PolarHBondContact O-N 3.14Å
92V97.3Very high97.1Very high99 Ų9938.1 Ų38.160%0.623%0.232SC*.EExtended strand (participates in β ladder)trans-96.1128.8-171.6-177.90000110.7Y112 V113V92-Y112 HydrophobicContact CG1-CD1 3.75Å; V92-Y112 HydrophobicContact CG1-CG 4.44Å; V92-V113 CarbonylContact C-O 3.58Å; V92-V113 WeakPolarHBondContact CA-O 3.33Å
93T97.9Very high97.1Very high12 Ų1238.2 Ų38.27%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-133.9-166.3168.2-170.20000110.4Y44 V45 Y112 V113Y44-T93 HydrophobicContact CE1-CG2 4.31Å; Y44-T93 HydrophobicContact CE2-CG2 3.9Å; Y44-T93 WeakPolarHBondContact OH-CG2 3.11Å; V45-T93 PolarHBondContact O-OG1 3.43Å; T93-Y112 WeakPolarHBondContact O-CA 3.49Å; T93-V113 HydrophobicContact CG2-CB 4.04Å; T93-V113 HydrophobicContact CG2-CG1 4.48Å; T93-V113 PolarHBondContact N-O 3.04Å; T93-V113 PolarHBondContact O-N 2.91Å
94V98.2Very high97.1Very high38 Ų3837 Ų3723%0.2323%0.225CC..EExtended strand (participates in β ladder)trans-130139.2-176.6-178.80000111.2V45 L96 Y111 Y112V45-V94 HydrophobicContact CB-CB 4.27Å; V45-V94 WeakPolarHBondContact CB-O 3.32Å; V45-V94 HydrophobicContact CG2-CB 3.96Å; V45-V94 HydrophobicContact CG2-CG1 4.43Å; V45-V94 WeakPolarHBondContact CG2-O 3.19Å; V45-V94 PolarHBondContact N-O 2.97Å; V94-L96 HydrophobicContact CG1-CD2 3.52Å; V94-L96 HydrophobicContact CG1-CG 4.1Å; V94-Y111 CarbonylContact C-O 3.57Å; V94-Y111 VanDerWaalsContact CA-O 3.28Å; V94-Y111 WeakPolarHBondContact CA-O 3.39Å; V94-Y112 HydrophobicContact CG2-CD1 4.11Å; V94-Y112 HydrophobicContact CG2-CE1 4.22Å
95A98.3Very high97.1Very high0 Ų038.6 Ų38.60%023%0.233CC..EExtended strand (participates in β ladder)trans-110.8132.8162.300000109F22 I43 G110 Y111 V113F22-A95 HydrophobicContact CE1-CB 3.93Å; I43-A95 CarbonylContact O-C 3.59Å; I43-A95 WeakPolarHBondContact O-CA 3.17Å; A95-G110 CarbonylContact O-C 3.55Å; A95-G110 WeakPolarHBondContact O-CA 3.46Å; A95-Y111 PolarHBondContact N-O 2.87Å; A95-Y111 PolarHBondContact O-N 2.82Å; A95-V113 HydrophobicContact CB-CG2 3.71Å
96L98.5Very high97.1Very high23 Ų2337.8 Ų37.812%0.1223%0.226CC..EExtended strand (participates in β ladder)trans-111.9138.6-178.8-54.9174.5000109.9I42 I43 V45 V94 R108 I109I42-L96 CarbonylContact C-O 3.57Å; I42-L96 WeakPolarHBondContact CA-O 3.41Å; I43-L96 HydrophobicContact CB-CB 4.24Å; I43-L96 PolarHBondContact N-O 2.78Å; I43-L96 PolarHBondContact O-N 2.89Å; V45-L96 HydrophobicContact CG2-CD1 4.31Å; V45-L96 HydrophobicContact CG2-CG 4.42Å; V94-L96 HydrophobicContact CG1-CD2 3.52Å; V94-L96 HydrophobicContact CG1-CG 4.1Å; L96-R108 HydrophobicContact CD2-CG 4.28Å; L96-I109 CarbonylContact C-O 3.57Å; L96-I109 WeakPolarHBondContact CA-O 3.44Å
97I98.7Very high97.3Very high2 Ų232.9 Ų32.91%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-111.6117.7163.7-55.6168.3000106.6V9 F24 I26 W40 K41 I42 R108 I109 Y111V9-I97 HydrophobicContact CG1-CD1 3.79Å; F24-I97 HydrophobicContact CB-CD1 4.06Å; F24-I97 HydrophobicContact CD1-CD1 3.68Å; F24-I97 HydrophobicContact CD2-CD1 3.75Å; F24-I97 HydrophobicContact CD2-CG1 4.25Å; F24-I97 HydrophobicContact CE1-CD1 3.95Å; F24-I97 HydrophobicContact CE2-CD1 4.01Å; F24-I97 HydrophobicContact CE2-CG1 4.21Å; F24-I97 HydrophobicContact CG-CD1 3.55Å; F24-I97 HydrophobicContact CZ-CD1 4.11Å; F24-I97 HydrophobicContact CZ-CG1 4.46Å; I26-I97 HydrophobicContact CD1-CG2 4.01Å; W40-I97 HydrophobicContact CE3-CG2 3.93Å; W40-I97 HydrophobicContact CZ3-CG2 4.22Å; K41-I97 VanDerWaalsContact O-CA 3.29Å; K41-I97 WeakPolarHBondContact O-CA 3.48Å; I42-I97 HydrophobicContact CG1-CG1 4.43Å; I97-R108 CarbonylContact O-C 3.58Å; I97-R108 WeakPolarHBondContact O-CA 3.07Å; I97-I109 HydrophobicContact CB-CB 4.38Å; I97-I109 PolarHBondContact N-O 2.81Å; I97-I109 PolarHBondContact O-N 3.43Å; I97-Y111 HydrophobicContact CD1-CE2 4.18Å
98T98.6Very high97.4Very high4 Ų432.2 Ų32.23%0.02519%0.186CC..EExtended strand (participates in β ladder)trans-108.7148.6174.6630000109.9W40 K41 I43 I107 R108W40-T98 VanDerWaalsContact CA-O 3.32Å; W40-T98 WeakPolarHBondContact CA-O 3.33Å; K41-T98 PolarHBondContact N-O 3Å; K41-T98 PolarHBondContact O-N 2.84Å; I43-T98 HydrophobicContact CD1-CG2 4.15Å; T98-I107 WeakPolarHBondContact CA-O 3.32Å; T98-R108 HydrophobicContact CG2-CB 4.37Å; T98-R108 HydrophobicContact CG2-CG 3.99Å
99C98.4Very high97.6Very high0 Ų030.6 Ų30.60%018%0.177CC..EExtended strand (participates in β ladder)trans-128.2128.4168.3-168.60000108.9E39 W40 F106 I107E39-C99 CarbonylContact O-C 3.6Å; E39-C99 WeakPolarHBondContact O-CA 3.47Å; W40-C99 HydrophobicContact CD2-CB 3.84Å; W40-C99 VanDerWaalsContact CD2-SG 3.59Å; W40-C99 HydrophobicContact CE3-CB 3.67Å; W40-C99 HydrophobicContact CH2-CB 3.96Å; W40-C99 HydrophobicContact CZ2-CB 4.12Å; W40-C99 VanDerWaalsContact CZ2-SG 3.54Å; W40-C99 HydrophobicContact CZ3-CB 3.74Å; C99-F106 HydrophobicContact CB-CE1 3.88Å; C99-F106 HydrophobicContact CB-CZ 3.84Å; C99-F106 WeakPolarHBondContact O-CD1 3.45Å; C99-F106 PolarHBondContact O-N 2.89Å; C99-F106 VanDerWaalsContact O-N 3.12Å; C99-F106 WeakPolarHBondContact SG-CE1 3.26Å; C99-F106 WeakPolarHBondContact SG-CZ 3.36Å; C99-I107 HydrophobicContact CB-CG2 3.59Å; C99-I107 PolarHBondContact N-O 2.82Å
100T98.2Very high97.7Very high14 Ų1430.9 Ų30.99%0.08618%0.18CC..EExtended strand (participates in β ladder)trans-118.8149.2177.986.60000110.1L38 E39 Q104 E105L38-T100 WeakPolarHBondContact CA-O 3.42Å; E39-T100 WeakPolarHBondContact CB-OG1 3.43Å; E39-T100 PolarHBondContact N-O 3.42Å; E39-T100 PolarHBondContact O-N 3.49Å; E39-T100 PolarHBondContact OE2-OG1 3.44Å; T100-Q104 VanDerWaalsContact CA-O 3.29Å; T100-Q104 WeakPolarHBondContact CA-O 3.43Å; T100-E105 HydrophobicContact CG2-CB 4.02Å; T100-E105 HydrophobicContact CG2-CG 4.4Å
101Y97.3Very high97.8Very high1 Ų128.3 Ų28.30%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-129.6126.7169.8-178.9-114.8000107.3L34 P35 E36 L38 G103 Q104 I151 W153L34-Y101 HydrophobicContact CB-CE2 4.15Å; L34-Y101 HydrophobicContact CD1-CD2 4.36Å; L34-Y101 HydrophobicContact CD1-CE2 4.2Å; L34-Y101 HydrophobicContact CD2-CE1 4.4Å; L34-Y101 HydrophobicContact CD2-CE2 4.38Å; L34-Y101 HydrophobicContact CG-CE2 4.49Å; P35-Y101 WeakPolarHBondContact CD-OH 3.29Å; E36-Y101 HydrophobicContact CB-CE2 3.69Å; E36-Y101 WeakPolarHBondContact O-CE2 3.28Å; L38-Y101 HydrophobicContact CD2-CD2 3.88Å; L38-Y101 HydrophobicContact CD2-CG 4.23Å; Y101-G103 VanDerWaalsContact C-N 3.25Å; Y101-G103 PolarHBondContact O-N 2.84Å; Y101-Q104 PolarHBondContact N-O 2.83Å; Y101-Q104 PolarHBondContact O-N 2.97Å; Y101-I151 HydrophobicContact CD1-CD1 4.32Å; Y101-W153 HydrophobicContact CD1-CD2 4.49Å; Y101-W153 AromaticContact CD1-CE3 3.63Å; Y101-W153 HydrophobicContact CD1-CE3 3.63Å; Y101-W153 AromaticContact CD1-CZ3 3.99Å; Y101-W153 HydrophobicContact CD1-CZ3 3.99Å; Y101-W153 HydrophobicContact CE1-CE3 4.03Å; Y101-W153 HydrophobicContact CG-CE3 4.28Å; Y101-W153 HydrophobicContact CG-CZ3 4.17Å
102R94.9Very high97.9Very high76 Ų7632.1 Ų32.129%0.28717%0.172SC..THydrogen-bonded Turntrans54.539.9-175.5-59.7179.5155.8158.2-2.5113.7E36 Q104 W153E36-R102 IonicContact OE1-CZ 3.13Å; E36-R102 IonicContact OE1-NE 2.72Å; E36-R102 PolarHBondContact OE1-NE 3.03Å; E36-R102 IonicContact OE1-NH2 2.73Å; E36-R102 PolarHBondContact OE1-NH2 3.44Å; E36-R102 WeakPolarHBondContact OE2-CG 3.14Å; E36-R102 IonicContact OE2-NE 3.65Å; R102-Q104 PolarHBondContact O-N 2.92Å; R102-Q104 VanDerWaalsContact O-N 3.14Å; R102-W153 PolarHBondContact NH1-O 2.97Å
103G95.7Very high98Very high70 Ų7027.4 Ų27.472%0.72214%0.143SC*.THydrogen-bonded Turntrans70.13.2-177.900000115Y101Y101-G103 VanDerWaalsContact C-N 3.25Å; Y101-G103 PolarHBondContact O-N 2.84Å
104Q97.4Very high98Very high71 Ų7129 Ų2933%0.33215%0.151SC..EExtended strand (participates in β ladder)trans-101.8116.7175.8-63.3168.582.400109.4T100 Y101 R102 F106 I151 N152T100-Q104 VanDerWaalsContact CA-O 3.29Å; T100-Q104 WeakPolarHBondContact CA-O 3.43Å; Y101-Q104 PolarHBondContact N-O 2.83Å; Y101-Q104 PolarHBondContact O-N 2.97Å; R102-Q104 PolarHBondContact O-N 2.92Å; R102-Q104 VanDerWaalsContact O-N 3.14Å; Q104-F106 PolarHBondContact O-N 2.82Å; Q104-I151 HydrophobicContact CB-CB 3.82Å; Q104-I151 HydrophobicContact CB-CD1 4.32Å; Q104-I151 HydrophobicContact CB-CG2 3.62Å; Q104-N152 PolarHBondContact NE2-O 2.81Å; Q104-N152 VanDerWaalsContact NE2-O 3.11Å
105E98Very high98Very high43 Ų4327.2 Ų27.220%0.20114%0.14CC..EExtended strand (participates in β ladder)trans-67.8126.1173.4-172.2-176.9127.200110.1T100 R108 F149 I151T100-E105 HydrophobicContact CG2-CB 4.02Å; T100-E105 HydrophobicContact CG2-CG 4.4Å; E105-R108 VanDerWaalsContact CD-NH2 3.29Å; E105-R108 WeakPolarHBondContact OE1-CB 3.41Å; E105-R108 IonicContact OE1-CZ 3.77Å; E105-R108 VanDerWaalsContact OE1-CZ 3.26Å; E105-R108 IonicContact OE1-NE 3Å; E105-R108 PolarHBondContact OE1-NE 3.24Å; E105-R108 IonicContact OE1-NH2 2.84Å; E105-R108 PolarHBondContact OE1-NH2 2.81Å; E105-R108 IonicContact OE2-CZ 3.26Å; E105-R108 IonicContact OE2-NE 2.73Å; E105-R108 IonicContact OE2-NH2 3.03Å; E105-R108 PolarHBondContact OE2-NH2 2.8Å; E105-F149 HydrophobicContact CG-CD2 4.3Å; E105-F149 HydrophobicContact CG-CE2 4.42Å; E105-F149 WeakPolarHBondContact O-CB 2.92Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.43Å; E105-I151 VanDerWaalsContact O-CG2 3.24Å; E105-I151 WeakPolarHBondContact O-CG2 3.14Å
106F97.7Very high97.9Very high9 Ų929.8 Ų29.84%0.03915%0.152CC..EExtended strand (participates in β ladder)trans-115.3-17177.869.9-88.7000113.4V4 L38 C99 Q104 R148 F149 I151 W153V4-F106 HydrophobicContact CB-CE2 3.91Å; V4-F106 HydrophobicContact CB-CZ 3.89Å; V4-F106 HydrophobicContact CG1-CE2 4.07Å; V4-F106 HydrophobicContact CG1-CZ 3.92Å; L38-F106 HydrophobicContact CD2-CE1 3.91Å; L38-F106 HydrophobicContact CD2-CZ 4.23Å; C99-F106 HydrophobicContact CB-CE1 3.88Å; C99-F106 HydrophobicContact CB-CZ 3.84Å; C99-F106 WeakPolarHBondContact O-CD1 3.45Å; C99-F106 PolarHBondContact O-N 2.89Å; C99-F106 VanDerWaalsContact O-N 3.12Å; C99-F106 WeakPolarHBondContact SG-CE1 3.26Å; C99-F106 WeakPolarHBondContact SG-CZ 3.36Å; Q104-F106 PolarHBondContact O-N 2.82Å; F106-R148 WeakPolarHBondContact O-CA 3.41Å; F106-F149 PolarHBondContact O-N 2.78Å; F106-I151 HydrophobicContact CB-CB 4.44Å; F106-I151 HydrophobicContact CB-CD1 3.8Å; F106-I151 HydrophobicContact CB-CG1 3.85Å; F106-I151 HydrophobicContact CB-CG2 3.74Å; F106-I151 HydrophobicContact CD1-CD1 4.04Å; F106-I151 HydrophobicContact CG-CD1 4.22Å; F106-W153 HydrophobicContact CB-CZ2 4.3Å; F106-W153 HydrophobicContact CD1-CH2 4.03Å; F106-W153 AromaticContact CD2-CH2 3.98Å; F106-W153 HydrophobicContact CD2-CH2 3.98Å; F106-W153 HydrophobicContact CD2-CZ2 4.13Å; F106-W153 HydrophobicContact CE1-CH2 4.13Å; F106-W153 HydrophobicContact CE2-CH2 4.08Å; F106-W153 AromaticContact CG-CH2 3.95Å; F106-W153 HydrophobicContact CG-CH2 3.95Å; F106-W153 HydrophobicContact CG-CZ2 4.07Å; F106-W153 HydrophobicContact CZ-CH2 4.16Å
107I98.3Very high97.9Very high5 Ų528.9 Ų28.93%0.02615%0.147CC..EExtended strand (participates in β ladder)trans-147.5140.9175-167169.4000111.6V6 T98 C99 I109 V146 T147 R148V6-I107 HydrophobicContact CB-CD1 3.91Å; V6-I107 HydrophobicContact CG2-CD1 3.67Å; V6-I107 HydrophobicContact CG2-CG2 4.17Å; T98-I107 WeakPolarHBondContact CA-O 3.32Å; C99-I107 HydrophobicContact CB-CG2 3.59Å; C99-I107 PolarHBondContact N-O 2.82Å; I107-I109 HydrophobicContact CD1-CD1 4.32Å; I107-I109 HydrophobicContact CD1-CG1 4.31Å; I107-I109 HydrophobicContact CG1-CG1 4.19Å; I107-V146 HydrophobicContact CD1-CG1 3.96Å; I107-V146 HydrophobicContact CG1-CG1 4.1Å; I107-T147 WeakPolarHBondContact CA-O 3.41Å; I107-R148 HydrophobicContact CD1-CG 4.5Å; I107-R148 HydrophobicContact CG1-CG 4.35Å
108R98.5Very high97.7Very high87 Ų8732.8 Ų32.833%0.32817%0.172SC..EExtended strand (participates in β ladder)trans-131.5127.7173.5-174.2174.6-61.7-165.6-3109.2L96 I97 T98 E105 V146 T147 F149L96-R108 HydrophobicContact CD2-CG 4.28Å; I97-R108 CarbonylContact O-C 3.58Å; I97-R108 WeakPolarHBondContact O-CA 3.07Å; T98-R108 HydrophobicContact CG2-CB 4.37Å; T98-R108 HydrophobicContact CG2-CG 3.99Å; E105-R108 VanDerWaalsContact CD-NH2 3.29Å; E105-R108 WeakPolarHBondContact OE1-CB 3.41Å; E105-R108 IonicContact OE1-CZ 3.77Å; E105-R108 VanDerWaalsContact OE1-CZ 3.26Å; E105-R108 IonicContact OE1-NE 3Å; E105-R108 PolarHBondContact OE1-NE 3.24Å; E105-R108 IonicContact OE1-NH2 2.84Å; E105-R108 PolarHBondContact OE1-NH2 2.81Å; E105-R108 IonicContact OE2-CZ 3.26Å; E105-R108 IonicContact OE2-NE 2.73Å; E105-R108 IonicContact OE2-NH2 3.03Å; E105-R108 PolarHBondContact OE2-NH2 2.8Å; R108-V146 WeakPolarHBondContact O-CA 3.42Å; R108-T147 PolarHBondContact N-O 2.97Å; R108-T147 PolarHBondContact O-N 2.85Å; R108-F149 HydrophobicContact CB-CE2 4.16Å
109I98.7Very high97.5Very high7 Ų735.5 Ų35.54%0.03619%0.186CC..EExtended strand (participates in β ladder)trans-119.9107.7179.7-54173.2000107.3V6 V9 L96 I97 I107 Y111 P144 R145 V146V6-I109 HydrophobicContact CB-CD1 4.48Å; V6-I109 HydrophobicContact CG1-CD1 3.97Å; V9-I109 HydrophobicContact CG2-CD1 3.64Å; L96-I109 CarbonylContact C-O 3.57Å; L96-I109 WeakPolarHBondContact CA-O 3.44Å; I97-I109 HydrophobicContact CB-CB 4.38Å; I97-I109 PolarHBondContact N-O 2.81Å; I97-I109 PolarHBondContact O-N 3.43Å; I107-I109 HydrophobicContact CD1-CD1 4.32Å; I107-I109 HydrophobicContact CD1-CG1 4.31Å; I107-I109 HydrophobicContact CG1-CG1 4.19Å; I109-Y111 HydrophobicContact CG2-CD2 4.39Å; I109-Y111 HydrophobicContact CG2-CE2 3.72Å; I109-P144 HydrophobicContact CG2-CB 4.05Å; I109-R145 CarbonylContact C-O 3.58Å; I109-R145 WeakPolarHBondContact CA-O 3.48Å; I109-V146 HydrophobicContact CG1-CG2 4.37Å; I109-V146 HydrophobicContact CG2-CG2 4.37Å
110G98.4Very high97.4Very high7 Ų740.1 Ų40.17%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-98.8135.7178.100000112.4A95 P144 R145A95-G110 CarbonylContact O-C 3.55Å; A95-G110 WeakPolarHBondContact O-CA 3.46Å; G110-P144 WeakPolarHBondContact O-CA 3.38Å; G110-R145 PolarHBondContact N-O 3.5Å; G110-R145 PolarHBondContact O-N 3.37Å
111Y98.6Very high97.2Very high4 Ų446.6 Ų46.62%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-116.1135.4170.2-70-85.3000110V9 V11 F24 V94 A95 I97 I109 I139 P144V9-Y111 WeakPolarHBondContact CB-OH 3.47Å; V9-Y111 HydrophobicContact CG1-CE2 4.22Å; V9-Y111 WeakPolarHBondContact CG1-OH 3.49Å; V9-Y111 PolarHBondContact O-OH 3.16Å; V11-Y111 HydrophobicContact CG2-CD1 4.31Å; V11-Y111 HydrophobicContact CG2-CE1 3.84Å; V11-Y111 HydrophobicContact CG2-CE2 4.46Å; F24-Y111 HydrophobicContact CD1-CE2 4.47Å; F24-Y111 HydrophobicContact CE1-CD2 4.09Å; F24-Y111 HydrophobicContact CE1-CE2 4.04Å; V94-Y111 CarbonylContact C-O 3.57Å; V94-Y111 VanDerWaalsContact CA-O 3.28Å; V94-Y111 WeakPolarHBondContact CA-O 3.39Å; A95-Y111 PolarHBondContact N-O 2.87Å; A95-Y111 PolarHBondContact O-N 2.82Å; I97-Y111 HydrophobicContact CD1-CE2 4.18Å; I109-Y111 HydrophobicContact CG2-CD2 4.39Å; I109-Y111 HydrophobicContact CG2-CE2 3.72Å; Y111-I139 HydrophobicContact CD1-CG2 3.96Å; Y111-I139 HydrophobicContact CG-CG2 3.82Å; Y111-P144 HydrophobicContact CD1-CB 4.2Å; Y111-P144 HydrophobicContact CE1-CB 3.66Å; Y111-P144 HydrophobicContact CE1-CG 4.34Å
112Y98.4Very high97Very high102 Ų10248.2 Ų48.240%0.425%0.254SS..EExtended strand (participates in β ladder)trans-68.4136.1164-71.4-70000109.6V92 T93 V94 L140V92-Y112 HydrophobicContact CG1-CD1 3.75Å; V92-Y112 HydrophobicContact CG1-CG 4.44Å; T93-Y112 WeakPolarHBondContact O-CA 3.49Å; V94-Y112 HydrophobicContact CG2-CD1 4.11Å; V94-Y112 HydrophobicContact CG2-CE1 4.22Å; Y112-L140 HydrophobicContact CD2-CD2 4.5Å; Y112-L140 PolarHBondContact O-N 3.3Å
113V98.4Very high96.9Very high0 Ų051.6 Ų51.60%027%0.267CS..EExtended strand (participates in β ladder)trans-122.2120.2178.6-177.10000107.1V92 T93 A95 R137 N138 I139V92-V113 CarbonylContact C-O 3.58Å; V92-V113 WeakPolarHBondContact CA-O 3.33Å; T93-V113 HydrophobicContact CG2-CB 4.04Å; T93-V113 HydrophobicContact CG2-CG1 4.48Å; T93-V113 PolarHBondContact N-O 3.04Å; T93-V113 PolarHBondContact O-N 2.91Å; A95-V113 HydrophobicContact CB-CG2 3.71Å; V113-R137 HydrophobicContact CG1-CG 3.31Å; V113-N138 WeakPolarHBondContact CA-O 3.46Å; V113-I139 HydrophobicContact CG2-CG1 4.22Å
114N98.3Very high96.8Very high46 Ų4655.9 Ų55.925%0.24627%0.268CS..EExtended strand (participates in β ladder)trans-102.3119.3173.8-171.941.1000109.3G91 N138G91-N114 WeakPolarHBondContact O-CA 3.14Å; G91-N114 PolarHBondContact O-OD1 2.82Å; N114-N138 PolarHBondContact N-O 2.97Å; N114-N138 PolarHBondContact O-N 3Å
115N98.3Very high96.6Very high0 Ų058.1 Ų58.10%028%0.282CS..EExtended strand (participates in β ladder)trans-101116.5173.5-60.3-40.9000108.8Y44 A89 V90 G91 Q136Y44-N115 PolarHBondContact OH-ND2 3.15Å; A89-N115 WeakPolarHBondContact O-CB 3.49Å; V90-N115 WeakPolarHBondContact CG1-O 3.37Å; G91-N115 PolarHBondContact N-O 3.12Å; G91-N115 PolarHBondContact O-N 3.14Å; N115-Q136 WeakPolarHBondContact CA-O 3.49Å
116E97.4Very high96.4Very high54 Ų5459.9 Ų59.925%0.25230%0.297SS..EExtended strand (participates in β ladder)trans-137.6151.4-179.764.7179.8176.800112.2R123 Q136E116-R123 IonicContact OE2-NH2 3.63Å; E116-Q136 PolarHBondContact N-O 3.36Å; E116-Q136 PolarHBondContact O-N 3.02Å
117Y97.9Very high96.2Very high4 Ų462 Ų622%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-69.3136.7166.8-66.3-67.8000109.4V90 L122 R123 P126 P127 P130 D131 Q134 L135V90-Y117 HydrophobicContact CG2-CE2 3.9Å; Y117-L122 HydrophobicContact CD1-CB 4.06Å; Y117-L122 HydrophobicContact CD1-CD1 3.95Å; Y117-L122 HydrophobicContact CD2-CB 4.06Å; Y117-L122 WeakPolarHBondContact CD2-O 3.45Å; Y117-L122 HydrophobicContact CE1-CD1 4.39Å; Y117-L122 HydrophobicContact CG-CB 3.72Å; Y117-L122 HydrophobicContact CG-CD1 4.45Å; Y117-R123 WeakPolarHBondContact O-CD 3.42Å; Y117-R123 WeakPolarHBondContact O-CG 3.36Å; Y117-P126 HydrophobicContact CE2-CB 4.12Å; Y117-P127 WeakPolarHBondContact OH-CG 3.42Å; Y117-P130 WeakPolarHBondContact OH-CA 3.4Å; Y117-D131 HydrophobicContact CE1-CB 4.39Å; Y117-D131 PolarHBondContact OH-N 3.11Å; Y117-Q134 HydrophobicContact CD1-CB 3.99Å; Y117-Q134 HydrophobicContact CE1-CB 4.19Å; Y117-L135 HydrophobicContact CD1-CD2 3.59Å; Y117-L135 HydrophobicContact CD1-CG 4.35Å; Y117-L135 HydrophobicContact CD2-CD2 4.13Å; Y117-L135 HydrophobicContact CE1-CD2 3.53Å; Y117-L135 HydrophobicContact CE1-CG 4.02Å; Y117-L135 HydrophobicContact CE2-CD2 4.08Å; Y117-L135 HydrophobicContact CG-CD2 3.89Å
118T94.3Very high95.8Very high84 Ų8469.6 Ų69.652%0.51535%0.351SS..SBendtrans-83.9-23.4173.453.70000112.4Q136T118-Q136 HydrophobicContact CG2-CB 3.53Å; T118-Q136 HydrophobicContact CG2-CG 4.29Å
119D94.9Very high95.7Very high62 Ų6272.7 Ų72.733%0.33237%0.367SS..SBendtrans-76.2122.4177.5-169.8-27.8000110.6E121 L122 R123D119-E121 VanDerWaalsContact C-N 3.26Å; D119-E121 PolarHBondContact O-N 3.01Å; D119-E121 PolarHBondContact OD1-N 2.78Å; D119-L122 HydrophobicContact CB-CB 4.21Å; D119-L122 HydrophobicContact CB-CD1 3.99Å; D119-L122 HydrophobicContact CB-CG 4.09Å; D119-L122 PolarHBondContact O-N 3.03Å; D119-R123 WeakPolarHBondContact O-CG 3.39Å; D119-R123 PolarHBondContact O-N 2.73Å
120P94.8Very high95.5Very high97 Ų9773 Ų7363%0.6337%0.369SS*.Hα-helixtrans-53.6-37.9176.8-2635000114.5R123 E124P120-R123 PolarHBondContact O-N 2.77Å; P120-E124 PolarHBondContact O-N 2.91Å
121E94Very high95.4Very high150 Ų15075.9 Ų75.970%0.70138%0.383SS*.Hα-helixtrans-67.7-41.8-177.4-66.1-173179.100111.2D119 R123 E124 N125D119-E121 VanDerWaalsContact C-N 3.26Å; D119-E121 PolarHBondContact O-N 3.01Å; D119-E121 PolarHBondContact OD1-N 2.78Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 3.39Å; E121-E124 PolarHBondContact O-N 2.85Å; E121-N125 PolarHBondContact O-N 2.82Å
122L93.6Very high95.3Very high34 Ų3477.5 Ų77.518%0.17839%0.389CS..Hα-helixtrans-71.8-25.1176.6-63.7178000112.8Y117 D119 N125 P126 Q134Y117-L122 HydrophobicContact CD1-CB 4.06Å; Y117-L122 HydrophobicContact CD1-CD1 3.95Å; Y117-L122 HydrophobicContact CD2-CB 4.06Å; Y117-L122 WeakPolarHBondContact CD2-O 3.45Å; Y117-L122 HydrophobicContact CE1-CD1 4.39Å; Y117-L122 HydrophobicContact CG-CB 3.72Å; Y117-L122 HydrophobicContact CG-CD1 4.45Å; D119-L122 HydrophobicContact CB-CB 4.21Å; D119-L122 HydrophobicContact CB-CD1 3.99Å; D119-L122 HydrophobicContact CB-CG 4.09Å; D119-L122 PolarHBondContact O-N 3.03Å; L122-N125 CarbonylContact O-C 3.51Å; L122-P126 WeakPolarHBondContact O-CA 3.49Å; L122-Q134 HydrophobicContact CD1-CB 4.18Å; L122-Q134 VanDerWaalsContact CD1-CD 3.5Å; L122-Q134 HydrophobicContact CD1-CG 4.47Å; L122-Q134 VanDerWaalsContact CD1-OE1 3.24Å
123R92.8Very high95.2Very high148 Ų14875.5 Ų75.556%0.55840%0.4SS*.Hα-helixtrans-72.4-42.3172.7-71.3175.968.4150.29.9112.1E116 Y117 D119 P120 E121E116-R123 IonicContact OE2-NH2 3.63Å; Y117-R123 WeakPolarHBondContact O-CD 3.42Å; Y117-R123 WeakPolarHBondContact O-CG 3.36Å; D119-R123 WeakPolarHBondContact O-CG 3.39Å; D119-R123 PolarHBondContact O-N 2.73Å; P120-R123 PolarHBondContact O-N 2.77Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 3.39Å
124E94.2Very high95.1Very high160 Ų16079.5 Ų79.575%0.74842%0.419SS*.Hα-helixtrans-75.2-36.7-179.9-169.5171.3-174.600111.3P120 E121P120-E124 PolarHBondContact O-N 2.91Å; E121-E124 PolarHBondContact O-N 2.85Å
125N93.6Very high95.1Very high118 Ų11877.5 Ų77.563%0.63141%0.408SS*.SBendtrans-129.274.2-179.4-58.5-77.8000110.6E121 L122E121-N125 PolarHBondContact O-N 2.82Å; L122-N125 CarbonylContact O-C 3.51Å
126P92.8Very high95.1Very high79 Ų7980.5 Ų80.551%0.51342%0.422SS..  trans-64.2139.4-179.226.2-34000111Y117 L122Y117-P126 HydrophobicContact CE2-CB 4.12Å; L122-P126 WeakPolarHBondContact O-CA 3.49Å
127P93.4Very high95.1Very high54 Ų5478 Ų7835%0.35141%0.41SS..  trans-65.2149.3175.729.1-35000110.4Y117 K129Y117-P127 WeakPolarHBondContact OH-CG 3.42Å; P127-K129 VanDerWaalsContact C-N 3.26Å; P127-K129 WeakPolarHBondContact CB-O 3.48Å; P127-K129 WeakPolarHBondContact CG-O 3.28Å; P127-K129 PolarHBondContact O-N 2.82Å
128I91.3Very high95.1Very high165 Ų16580.7 Ų80.785%0.84643%0.425SS*.SBendtrans-56.9-44.8177.2-63.7169.6000110.4
129K94.9Very high95.3Very high152 Ų15276.9 Ų76.966%0.66140%0.401SS*.SBendtrans-93.7121172.8-175173-176.2175.60109.3P127 D131P127-K129 VanDerWaalsContact C-N 3.26Å; P127-K129 WeakPolarHBondContact CB-O 3.48Å; P127-K129 WeakPolarHBondContact CG-O 3.28Å; P127-K129 PolarHBondContact O-N 2.82Å; K129-D131 PolarHBondContact O-N 2.79Å
130P96Very high95.5Very high13 Ų1377.5 Ų77.58%0.08440%0.404CS..  trans-60.2134.7179.3-24.433.4000113E86 A89 Y117 Y132E86-P130 HydrophobicContact CB-CG 4.14Å; E86-P130 WeakPolarHBondContact O-CG 3.29Å; A89-P130 HydrophobicContact CB-CB 3.66Å; A89-P130 HydrophobicContact CB-CG 3.49Å; A89-P130 VanDerWaalsContact CB-CG 3.49Å; Y117-P130 WeakPolarHBondContact OH-CA 3.4Å; P130-Y132 HydrophobicContact CB-CE2 4.15Å
131D95.7Very high95.5Very high68 Ų6875 Ų7536%0.36439%0.392SS..  trans-100.690.5172.3-176.52.1000110.4Y117 K129 G133 Q134 L135Y117-D131 HydrophobicContact CE1-CB 4.39Å; Y117-D131 PolarHBondContact OH-N 3.11Å; K129-D131 PolarHBondContact O-N 2.79Å; D131-G133 PolarHBondContact O-N 3.11Å; D131-G133 VanDerWaalsContact O-N 3.11Å; D131-G133 PolarHBondContact OD1-N 2.73Å; D131-Q134 PolarHBondContact O-N 2.81Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.24Å; D131-Q134 PolarHBondContact OD2-NE2 2.72Å; D131-L135 PolarHBondContact O-N 3.41Å
132Y96.5Very high95.5Very high37 Ų3772.8 Ų72.815%0.14539%0.393CS..G310 helixtrans-59.9-20.6178.8-64.9-88.7000114F18 T81 I84 A89 P130 Q134 L135F18-Y132 AromaticContact CD1-CD1 3.64Å; F18-Y132 HydrophobicContact CD1-CD1 3.64Å; F18-Y132 HydrophobicContact CD1-CG 4.33Å; F18-Y132 HydrophobicContact CD2-CD1 4.11Å; F18-Y132 AromaticContact CE1-CD1 3.5Å; F18-Y132 HydrophobicContact CE1-CD1 3.5Å; F18-Y132 AromaticContact CE1-CE1 3.97Å; F18-Y132 HydrophobicContact CE1-CE1 3.97Å; F18-Y132 HydrophobicContact CE1-CG 4.38Å; F18-Y132 AromaticContact CE2-CD1 3.95Å; F18-Y132 HydrophobicContact CE2-CD1 3.95Å; F18-Y132 HydrophobicContact CE2-CE1 4.05Å; F18-Y132 AromaticContact CG-CD1 3.95Å; F18-Y132 HydrophobicContact CG-CD1 3.95Å; F18-Y132 AromaticContact CZ-CD1 3.64Å; F18-Y132 HydrophobicContact CZ-CD1 3.64Å; F18-Y132 AromaticContact CZ-CE1 3.69Å; F18-Y132 HydrophobicContact CZ-CE1 3.69Å; T81-Y132 HydrophobicContact CG2-CD1 3.48Å; T81-Y132 VanDerWaalsContact CG2-CD1 3.48Å; T81-Y132 HydrophobicContact CG2-CD2 3.65Å; T81-Y132 HydrophobicContact CG2-CE1 3.76Å; T81-Y132 HydrophobicContact CG2-CE2 3.93Å; T81-Y132 HydrophobicContact CG2-CG 3.4Å; T81-Y132 PolarHBondContact O-OH 2.83Å; I84-Y132 WeakPolarHBondContact CB-OH 3.35Å; I84-Y132 HydrophobicContact CD1-CE1 4.25Å; A89-Y132 HydrophobicContact CB-CE1 3.94Å; A89-Y132 VanDerWaalsContact CB-OH 3.24Å; A89-Y132 WeakPolarHBondContact CB-OH 3.46Å; P130-Y132 HydrophobicContact CB-CE2 4.15Å; Y132-Q134 PolarHBondContact O-N 3.14Å; Y132-L135 HydrophobicContact CD1-CD1 3.79Å; Y132-L135 HydrophobicContact CE1-CD1 4.27Å; Y132-L135 HydrophobicContact CG-CD1 4.33Å; Y132-L135 PolarHBondContact O-N 2.93Å
133G96.1Very high95.6Very high61 Ų6174.5 Ų74.563%0.62940%0.402SS*.G310 helixtrans-67.1-21.8175.200000113.1D131D131-G133 PolarHBondContact O-N 3.11Å; D131-G133 VanDerWaalsContact O-N 3.11Å; D131-G133 PolarHBondContact OD1-N 2.73Å
134Q96.4Very high95.8Very high84 Ų8469.7 Ų69.739%0.39339%0.39SS..G310 helixtrans-1091.8-179.2-62-165.476.100113.5Y117 L122 D131 Y132Y117-Q134 HydrophobicContact CD1-CB 3.99Å; Y117-Q134 HydrophobicContact CE1-CB 4.19Å; L122-Q134 HydrophobicContact CD1-CB 4.18Å; L122-Q134 VanDerWaalsContact CD1-CD 3.5Å; L122-Q134 HydrophobicContact CD1-CG 4.47Å; L122-Q134 VanDerWaalsContact CD1-OE1 3.24Å; D131-Q134 PolarHBondContact O-N 2.81Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.24Å; D131-Q134 PolarHBondContact OD2-NE2 2.72Å; Y132-Q134 PolarHBondContact O-N 3.14Å
135L97.6Very high96Very high4 Ų468.7 Ų68.72%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-83.2133.8175.6-68.3179.5000111.4F18 V90 Y117 D131 Y132F18-L135 HydrophobicContact CB-CB 3.88Å; F18-L135 HydrophobicContact CG-CB 4.5Å; F18-L135 PolarHBondContact N-O 3.43Å; V90-L135 HydrophobicContact CG2-CD1 4.28Å; V90-L135 HydrophobicContact CG2-CD2 3.96Å; Y117-L135 HydrophobicContact CD1-CD2 3.59Å; Y117-L135 HydrophobicContact CD1-CG 4.35Å; Y117-L135 HydrophobicContact CD2-CD2 4.13Å; Y117-L135 HydrophobicContact CE1-CD2 3.53Å; Y117-L135 HydrophobicContact CE1-CG 4.02Å; Y117-L135 HydrophobicContact CE2-CD2 4.08Å; Y117-L135 HydrophobicContact CG-CD2 3.89Å; D131-L135 PolarHBondContact O-N 3.41Å; Y132-L135 HydrophobicContact CD1-CD1 3.79Å; Y132-L135 HydrophobicContact CE1-CD1 4.27Å; Y132-L135 HydrophobicContact CG-CD1 4.33Å; Y132-L135 PolarHBondContact O-N 2.93Å
136Q98.4Very high96.2Very high63 Ų6366.2 Ų66.229%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-100.3133.3164.7179.4172.194.600109P15 S16 N115 E116 T118P15-Q136 HydrophobicContact CB-CG 4.04Å; S16-Q136 CarbonylContact O-C 3.58Å; S16-Q136 WeakPolarHBondContact O-CA 3.4Å; S16-Q136 WeakPolarHBondContact O-CG 3.47Å; N115-Q136 WeakPolarHBondContact CA-O 3.49Å; E116-Q136 PolarHBondContact N-O 3.36Å; E116-Q136 PolarHBondContact O-N 3.02Å; T118-Q136 HydrophobicContact CG2-CB 3.53Å; T118-Q136 HydrophobicContact CG2-CG 4.29Å
137R98.4Very high96.4Very high2 Ų265.7 Ų65.71%0.00836%0.364CS..EExtended strand (participates in β ladder)trans-98126.5173.9-175.718068.1-141.90.5109.1P15 S16 F18 N20 P21 F22 V113 I139P15-R137 WeakPolarHBondContact CA-O 3.39Å; S16-R137 PolarHBondContact N-O 3.27Å; S16-R137 PolarHBondContact O-N 2.95Å; F18-R137 PolarHBondContact O-NH1 2.89Å; F18-R137 VanDerWaalsContact O-NH1 3.15Å; N20-R137 PolarHBondContact O-NH1 2.75Å; N20-R137 PolarHBondContact O-NH2 3.49Å; P21-R137 PolarHBondContact O-NH2 3.01Å; P21-R137 VanDerWaalsContact O-NH2 3.11Å; F22-R137 VanDerWaalsContact CZ-CD 3.48Å; V113-R137 HydrophobicContact CG1-CG 3.31Å; R137-I139 HydrophobicContact CG-CG1 4.47Å
138N98.5Very high96.6Very high59 Ų5971.3 Ų71.332%0.31638%0.378SS..EExtended strand (participates in β ladder)trans-122.6112.7172.6-177.817.3000110.4N14 P15 V113 N114N14-N138 PolarHBondContact ND2-OD1 3.28Å; P15-N138 HydrophobicContact CB-CB 4.05Å; V113-N138 WeakPolarHBondContact CA-O 3.46Å; N114-N138 PolarHBondContact N-O 2.97Å; N114-N138 PolarHBondContact O-N 3Å
139I98.6Very high96.9Very high4 Ų467.7 Ų67.72%0.02136%0.357CS..EExtended strand (participates in β ladder)trans-85.7123.9175.6-53.5177.9000108.3V11 N14 F22 F24 Y111 V113 R137 A141V11-I139 HydrophobicContact CG1-CB 4.03Å; V11-I139 HydrophobicContact CG1-CD1 3.74Å; V11-I139 HydrophobicContact CG1-CG1 4.42Å; V11-I139 HydrophobicContact CG1-CG2 4.1Å; V11-I139 HydrophobicContact CG2-CG2 4.18Å; N14-I139 PolarHBondContact ND2-O 3.48Å; N14-I139 PolarHBondContact OD1-N 3.35Å; F22-I139 HydrophobicContact CD1-CD1 3.66Å; F22-I139 HydrophobicContact CE1-CD1 3.7Å; F22-I139 HydrophobicContact CE1-CG1 4.41Å; F24-I139 HydrophobicContact CZ-CD1 4.31Å; Y111-I139 HydrophobicContact CD1-CG2 3.96Å; Y111-I139 HydrophobicContact CG-CG2 3.82Å; V113-I139 HydrophobicContact CG2-CG1 4.22Å; R137-I139 HydrophobicContact CG-CG1 4.47Å; I139-A141 PolarHBondContact O-N 2.84Å
140L97.6Very high96.9Very high75 Ų7570 Ų7039%0.39337%0.369SS..  trans-74.973.9177-17362.1000110.8Y112 S142 N143Y112-L140 HydrophobicContact CD2-CD2 4.5Å; Y112-L140 PolarHBondContact O-N 3.3Å; L140-S142 PolarHBondContact O-N 2.82Å; L140-S142 VanDerWaalsContact O-N 3.16Å; L140-N143 HydrophobicContact CD2-CB 4.29Å; L140-N143 HydrophobicContact CG-CB 4.43Å; L140-N143 PolarHBondContact O-N 2.84Å
141A95.6Very high96.9Very high45 Ų4570.4 Ų70.437%0.37237%0.37SS..THydrogen-bonded Turntrans-62.7-22.9-173.800000114.2V11 I139 N143V11-A141 HydrophobicContact CB-CB 3.87Å; V11-A141 HydrophobicContact CG2-CB 3.57Å; I139-A141 PolarHBondContact O-N 2.84Å; A141-N143 VanDerWaalsContact C-N 3.35Å; A141-N143 PolarHBondContact O-N 2.98Å
142S94.6Very high96.8Very high103 Ų10370.3 Ų70.372%0.7237%0.37SS*.THydrogen-bonded Turntrans-77.1-16.4-17655.70000114.5L140L140-S142 PolarHBondContact O-N 2.82Å; L140-S142 VanDerWaalsContact O-N 3.16Å
143N94Very high96.6Very high70 Ų7069.5 Ų69.537%0.37437%0.366SS..SBendtrans-135.762.9-175.1-164.14.7000112.3L140 A141L140-N143 HydrophobicContact CD2-CB 4.29Å; L140-N143 HydrophobicContact CG-CB 4.43Å; L140-N143 PolarHBondContact O-N 2.84Å; A141-N143 VanDerWaalsContact C-N 3.35Å; A141-N143 PolarHBondContact O-N 2.98Å
144P97.3Very high96.2Very high48 Ų4873.1 Ų73.131%0.31237%0.367SS..  trans-66.4144.3175.128.1-33.3000111.2I109 G110 Y111I109-P144 HydrophobicContact CG2-CB 4.05Å; G110-P144 WeakPolarHBondContact O-CA 3.38Å; Y111-P144 HydrophobicContact CD1-CB 4.2Å; Y111-P144 HydrophobicContact CE1-CB 3.66Å; Y111-P144 HydrophobicContact CE1-CG 4.34Å
145R98.1Very high94.9Very high138 Ų13872 Ų7252%0.52138%0.378SS..EExtended strand (participates in β ladder)trans-99110.5171.6-62.2-61.3175.6176.8-2.7109.2I109 G110I109-R145 CarbonylContact C-O 3.58Å; I109-R145 WeakPolarHBondContact CA-O 3.48Å; G110-R145 PolarHBondContact N-O 3.5Å; G110-R145 PolarHBondContact O-N 3.37Å
146V98.1Very high93.2Very high66 Ų6676.3 Ų76.340%0.441%0.408SS..EExtended strand (participates in β ladder)trans-104.4117-178.6-175.50000109.7I107 R108 I109 R148I107-V146 HydrophobicContact CD1-CG1 3.96Å; I107-V146 HydrophobicContact CG1-CG1 4.1Å; R108-V146 WeakPolarHBondContact O-CA 3.42Å; I109-V146 HydrophobicContact CG1-CG2 4.37Å; I109-V146 HydrophobicContact CG2-CG2 4.37Å; V146-R148 HydrophobicContact CG1-CG 4.32Å
147T97.9Very high91Very high68 Ų6877.4 Ų77.442%0.41743%0.427SS..EExtended strand (participates in β ladder)trans-109.5135.4171.9-53.70000108.7I107 R108 F149I107-T147 WeakPolarHBondContact CA-O 3.41Å; R108-T147 PolarHBondContact N-O 2.97Å; R108-T147 PolarHBondContact O-N 2.85Å; T147-F149 HydrophobicContact CG2-CE1 3.97Å; T147-F149 HydrophobicContact CG2-CE2 3.83Å; T147-F149 HydrophobicContact CG2-CZ 3.49Å; T147-F149 VanDerWaalsContact CG2-CZ 3.49Å
148R97.4Very high88.5Confident172 Ų17285.8 Ų85.865%0.64947%0.466SS*.EExtended strand (participates in β ladder)trans-121.3137.4179.3-62.8-177.1-178.9106.5-0.7109.6F106 I107 V146F106-R148 WeakPolarHBondContact O-CA 3.41Å; I107-R148 HydrophobicContact CD1-CG 4.5Å; I107-R148 HydrophobicContact CG1-CG 4.35Å; V146-R148 HydrophobicContact CG1-CG 4.32Å
149F96.8Very high85.8Confident90 Ų9093.1 Ų93.140%0.39549%0.49SS..  trans-117.2146.4178.9-53.3-86.9000109.7E105 F106 R108 T147E105-F149 HydrophobicContact CG-CD2 4.3Å; E105-F149 HydrophobicContact CG-CE2 4.42Å; E105-F149 WeakPolarHBondContact O-CB 2.92Å; E105-F149 WeakPolarHBondContact OE1-CE2 3.43Å; F106-F149 PolarHBondContact O-N 2.78Å; R108-F149 HydrophobicContact CB-CE2 4.16Å; T147-F149 HydrophobicContact CG2-CE1 3.97Å; T147-F149 HydrophobicContact CG2-CE2 3.83Å; T147-F149 HydrophobicContact CG2-CZ 3.49Å; T147-F149 VanDerWaalsContact CG2-CZ 3.49Å
150H95.4Very high83.3Confident199 Ų199102 Ų10292%0.92153%0.533SS*.  trans-83.9127.9173.2-69.682000108.3
151I95.9Very high80.5Confident22 Ų22106.2 Ų106.211%0.11355%0.551CS.*  trans-127.1162.2179.268.4159.5000110.6Y101 Q104 E105 F106 W153Y101-I151 HydrophobicContact CD1-CD1 4.32Å; Q104-I151 HydrophobicContact CB-CB 3.82Å; Q104-I151 HydrophobicContact CB-CD1 4.32Å; Q104-I151 HydrophobicContact CB-CG2 3.62Å; E105-I151 VanDerWaalsContact O-CG2 3.24Å; E105-I151 WeakPolarHBondContact O-CG2 3.14Å; F106-I151 HydrophobicContact CB-CB 4.44Å; F106-I151 HydrophobicContact CB-CD1 3.8Å; F106-I151 HydrophobicContact CB-CG1 3.85Å; F106-I151 HydrophobicContact CB-CG2 3.74Å; F106-I151 HydrophobicContact CD1-CD1 4.04Å; F106-I151 HydrophobicContact CG-CD1 4.22Å; I151-W153 HydrophobicContact CD1-CD2 4.02Å; I151-W153 HydrophobicContact CD1-CE3 4.25Å; I151-W153 HydrophobicContact CD1-CH2 4.11Å; I151-W153 HydrophobicContact CD1-CZ2 3.87Å; I151-W153 HydrophobicContact CD1-CZ3 4.29Å; I151-W153 HydrophobicContact CG1-CD2 4.09Å; I151-W153 HydrophobicContact CG1-CG 4.36Å; I151-W153 HydrophobicContact CG1-CZ2 3.88Å; I151-W153 VanDerWaalsContact O-CD1 3.26Å
152N94.1Very high77.9Confident66 Ų66111.2 Ų111.235%0.35357%0.571SS.*  trans-84.3115.4169.1-173.34.2000111.1Q104 E154 C156Q104-N152 PolarHBondContact NE2-O 2.81Å; Q104-N152 VanDerWaalsContact NE2-O 3.11Å; N152-E154 PolarHBondContact ND2-O 2.78Å; N152-E154 VanDerWaalsContact ND2-O 3.16Å; N152-E154 PolarHBondContact OD1-N 2.88Å; N152-E154 PolarHBondContact OD1-O 3.01Å; N152-C156 PolarHBondContact ND2-O 3.16Å
153W93Very high75.5Confident20 Ų20111.7 Ų111.78%0.07658%0.575CS.*  trans-91.2-16.1-179.9-62.787.1000113.6A2 K3 V4 L34 Y101 R102 F106 I151A2-W153 HydrophobicContact CB-CZ2 3.99Å; K3-W153 HydrophobicContact CB-CD2 3.94Å; K3-W153 HydrophobicContact CB-CE3 3.66Å; K3-W153 HydrophobicContact CB-CH2 4.42Å; K3-W153 HydrophobicContact CB-CZ3 3.92Å; K3-W153 HydrophobicContact CD-CB 3.68Å; K3-W153 HydrophobicContact CD-CD2 4.08Å; K3-W153 HydrophobicContact CD-CE3 3.97Å; K3-W153 HydrophobicContact CD-CG 4Å; K3-W153 VanDerWaalsContact CE-CB 3.44Å; K3-W153 HydrophobicContact CG-CB 4.13Å; K3-W153 HydrophobicContact CG-CD2 3.8Å; K3-W153 HydrophobicContact CG-CE3 3.91Å; K3-W153 HydrophobicContact CG-CG 3.92Å; V4-W153 HydrophobicContact CB-CH2 3.9Å; V4-W153 HydrophobicContact CB-CZ3 4.31Å; V4-W153 HydrophobicContact CG2-CH2 3.95Å; V4-W153 HydrophobicContact CG2-CZ3 3.83Å; L34-W153 HydrophobicContact CD1-CZ3 4.44Å; L34-W153 HydrophobicContact CD2-CE3 4.26Å; L34-W153 HydrophobicContact CD2-CZ3 4.47Å; Y101-W153 HydrophobicContact CD1-CD2 4.49Å; Y101-W153 AromaticContact CD1-CE3 3.63Å; Y101-W153 HydrophobicContact CD1-CE3 3.63Å; Y101-W153 AromaticContact CD1-CZ3 3.99Å; Y101-W153 HydrophobicContact CD1-CZ3 3.99Å; Y101-W153 HydrophobicContact CE1-CE3 4.03Å; Y101-W153 HydrophobicContact CG-CE3 4.28Å; Y101-W153 HydrophobicContact CG-CZ3 4.17Å; R102-W153 PolarHBondContact NH1-O 2.97Å; F106-W153 HydrophobicContact CB-CZ2 4.3Å; F106-W153 HydrophobicContact CD1-CH2 4.03Å; F106-W153 AromaticContact CD2-CH2 3.98Å; F106-W153 HydrophobicContact CD2-CH2 3.98Å; F106-W153 HydrophobicContact CD2-CZ2 4.13Å; F106-W153 HydrophobicContact CE1-CH2 4.13Å; F106-W153 HydrophobicContact CE2-CH2 4.08Å; F106-W153 AromaticContact CG-CH2 3.95Å; F106-W153 HydrophobicContact CG-CH2 3.95Å; F106-W153 HydrophobicContact CG-CZ2 4.07Å; F106-W153 HydrophobicContact CZ-CH2 4.16Å; I151-W153 HydrophobicContact CD1-CD2 4.02Å; I151-W153 HydrophobicContact CD1-CE3 4.25Å; I151-W153 HydrophobicContact CD1-CH2 4.11Å; I151-W153 HydrophobicContact CD1-CZ2 3.87Å; I151-W153 HydrophobicContact CD1-CZ3 4.29Å; I151-W153 HydrophobicContact CG1-CD2 4.09Å; I151-W153 HydrophobicContact CG1-CG 4.36Å; I151-W153 HydrophobicContact CG1-CZ2 3.88Å; I151-W153 VanDerWaalsContact O-CD1 3.26Å
154E85.9Confident72.9Confident138 Ų138116.6 Ų116.665%0.64560%0.595SS**SBendtrans-102.9132.6-178.6-66.6177.7-16300107.8N152 C156N152-E154 PolarHBondContact ND2-O 2.78Å; N152-E154 VanDerWaalsContact ND2-O 3.16Å; N152-E154 PolarHBondContact OD1-N 2.88Å; N152-E154 PolarHBondContact OD1-O 3.01Å; E154-C156 PolarHBondContact O-N 2.61Å
155G70.6Confident70.6Confident60 Ų60121.9 Ų121.962%0.61962%0.621SS**SBendtrans-69.59.4-16200000115.3A157G155-A157 VanDerWaalsContact C-N 3.31Å; G155-A157 PolarHBondContact O-N 3.42Å
156C61.1Low68.1Low95 Ų95121.6 Ų121.664%0.64264%0.635SS**  trans-73.292.1170.8-93.40000108.3N152 E154 E158N152-C156 PolarHBondContact ND2-O 3.16Å; E154-C156 PolarHBondContact O-N 2.61Å; C156-E158 PolarHBondContact O-N 2.91Å
157A51.7Low65.6Low85 Ų85125.2 Ų125.270%0.70265%0.652SS**  trans-5595149.100000106.9G155 R159G155-A157 VanDerWaalsContact C-N 3.31Å; G155-A157 PolarHBondContact O-N 3.42Å; A157-R159 PolarHBondContact O-N 2.99Å
158E46.1Very low62.8Low179 Ų179127.8 Ų127.884%0.83667%0.67SS**  trans-59.4102.3142.8-70.9-153.2165.400103.8C156 M160C156-E158 PolarHBondContact O-N 2.91Å; E158-M160 VanDerWaalsContact C-N 3.3Å; E158-M160 PolarHBondContact O-N 2.74Å
159R42.9Very low60.2Low213 Ų213123.8 Ų123.880%0.80467%0.673SS**  trans-49.9112.3157.3-64.8177.1-179.3-178.5-1.2103.1A157 E161A157-R159 PolarHBondContact O-N 2.99Å; R159-E161 PolarHBondContact O-N 2.83Å
160M45.5Very low57.6Low189 Ų189125.4 Ų125.493%0.93169%0.693SS**  trans-58.292.3155-80.5175140.800103.9E158 D162E158-M160 VanDerWaalsContact C-N 3.3Å; E158-M160 PolarHBondContact O-N 2.74Å; M160-D162 PolarHBondContact O-N 2.94Å
161E39.5Very low54.9Low165 Ų165123.2 Ų123.277%0.77169%0.688SS**  trans-59.9103.9157.5-70.8-177160.500103R159 S163R159-E161 PolarHBondContact O-N 2.83Å; E161-S163 VanDerWaalsContact C-N 3.33Å; E161-S163 PolarHBondContact O-N 2.92Å
162D39.8Very low52Low149 Ų149127.8 Ų127.880%0.79772%0.722SS**  trans-44.2113.8154.8-108.9-19.1000104.6M160 E164M160-D162 PolarHBondContact O-N 2.94Å; D162-E164 PolarHBondContact O-N 3.09Å
163S43.5Very low49.4Very low114 Ų114132.3 Ų132.380%0.79774%0.743SS**  trans-67.779.3171.7-60.80000105.7E161 N165E161-S163 VanDerWaalsContact C-N 3.33Å; E161-S163 PolarHBondContact O-N 2.92Å; S163-N165 PolarHBondContact O-N 2.71Å; S163-N165 VanDerWaalsContact O-N 3.09Å
164E40.4Very low46.8Very low172 Ų172139.4 Ų139.480%0.80478%0.781SS**  trans-57.6115.1165.7-75.8-168.6128.400105.6D162 V166D162-E164 PolarHBondContact O-N 3.09Å; E164-V166 PolarHBondContact O-N 2.93Å
165N48Very low44.5Very low159 Ų159138.3 Ų138.385%0.8579%0.786SS**  trans-47.9109.3167.5-80.6-55.8000108.4S163 D167S163-N165 PolarHBondContact O-N 2.71Å; S163-N165 VanDerWaalsContact O-N 3.09Å; N165-D167 PolarHBondContact O-N 3.01Å
166V47.3Very low42.9Very low133 Ų133141.3 Ų141.381%0.80680%0.795SS**  trans-77.9100.7167.9179.20000106.9E164E164-V166 PolarHBondContact O-N 2.93Å
167D45Very low41.8Very low142 Ų142142 Ų14276%0.75980%0.801SS**  trans-60.4128.6161.1-85-40.5000108.9N165 A169N165-D167 PolarHBondContact O-N 3.01Å; D167-A169 PolarHBondContact O-N 3.19Å
168P38.1Very low40.8Very low122 Ų122144.6 Ų144.679%0.79281%0.812SS**  trans-75100.7177.929-30.2000109.3
169A44.6Very low40.3Very low88 Ų88144.1 Ų144.173%0.72781%0.814SS**  trans-68.414616700000110.8D167D167-A169 PolarHBondContact O-N 3.19Å
170P41.9Very low40.5Very low123 Ų123139.7 Ų139.780%0.79981%0.813SS**  trans-77.8135.6-167.630.8-33.1000112.1S172P170-S172 PolarHBondContact O-N 3.48Å; P170-S172 VanDerWaalsContact O-N 3.07Å
171N37.7Very low39.8Very low153 Ų153134.3 Ų134.382%0.81881%0.806SS**  trans-50.1109171.6-95.9-22000112.2M173N171-M173 PolarHBondContact O-N 3.07Å
172S35.6Very low39.6Very low118 Ų118137 Ų13783%0.82582%0.815SS**  trans-90.689.6160.470.90000109.5P170P170-S172 PolarHBondContact O-N 3.48Å; P170-S172 VanDerWaalsContact O-N 3.07Å
173M39.2Very low39.3Very low162 Ų162134.2 Ų134.280%0.79881%0.813SS**PPolyproline II helixtrans-96.3119.9163.4-75.6-75.417400108.4N171N171-M173 PolarHBondContact O-N 3.07Å
174L39Very low39.5Very low168 Ų168134.4 Ų134.488%0.8881%0.812SS**PPolyproline II helixtrans-56.9140.8173.9-75.3147.5000111.3
175P37Very low40Very low115 Ų115130.9 Ų130.975%0.74780%0.804SS**PPolyproline II helixtrans-93.4149.9173.535.1-30.1000111.7
176P38.2Very low39.3Very low123 Ų123131 Ų13180%0.79980%0.803SS**PPolyproline II helixtrans-87.5130.9161.632.1-25.6000111.3
177S37.6Very low38.6Very low111 Ų111127.7 Ų127.778%0.77680%0.795SS**  trans-5.513216157.30000120.9
178C29.8Very low38.2Very low139 Ų139129.1 Ų129.194%0.93980%0.802SS**  trans-154.6130.6141.5-92.70000110.5
179L35.4Very low38.3Very low168 Ų168130.8 Ų130.888%0.8880%0.803SS**  trans-92-173.7175.1-72164.4000110.9
180P46.8Very low38.6Very low121 Ų121131.3 Ų131.379%0.78680%0.799SS**  -126.2162.1-70.537.2-21.1000111.9
181G32.3Very low38.4Very low76 Ų76132 Ų13278%0.78480%0.796SS**  trans-177.898.5171.700000119.1
182K33.9Very low38.5Very low220 Ų220131.8 Ų131.896%0.95780%0.795SS**  trans72.7127.3151.9-78.6177.8172.5176.20120.6
183A34.6Very low38.8Very low91 Ų91130.4 Ų130.475%0.75279%0.786SS**  trans-92.2-158.918000000112.1
184P47Very low39.1Very low119 Ų119130 Ų13077%0.77378%0.784SS**  -122.7-147.4-76.736.7-15.7000108.7
185P50.3Low39.3Very low97 Ų97127.9 Ų127.963%0.6377%0.773SS**  cis-147.1-171.7-4.143.3-21.8000117.8
186I34.3Very low39.6Very low163 Ų163127.9 Ų127.984%0.83677%0.774SS**  trans75.5131.1153.2-68.9161.2000117
187G32.6Very low40Very low62 Ų62133.9 Ų133.964%0.63980%0.799SS**  cis174.1-175400000112
188L37.4Very low40.2Very low172 Ų172135.1 Ų135.190%0.90180%0.8SS**  trans76.3104.5160.7-72.7128.7000120.9
189L38.7Very low40.7Very low158 Ų158134.8 Ų134.883%0.82779%0.792SS**  trans-61.8179.5141.3-86.1156000111.4
190P51.9Low41Very low98 Ų98133 Ų13364%0.63679%0.788SS**  cis-137.2-173.2-20.128.6-5.4000113.9
191D37.8Very low40.7Very low137 Ų137133.7 Ų133.773%0.73379%0.788SS**  trans71.5118.6143.4-90.4-46.9000121.9
192N38.8Very low41.2Very low149 Ų149137.3 Ų137.380%0.79779%0.788SS**  177.3119.7118.7-93.5-27.5000108
193S41.7Very low41.7Very low90 Ų90131.8 Ų131.863%0.62978%0.777SS**  79.1124.376.5-165.40000113.3
194M46.7Very low42.2Very low154 Ų154134.7 Ų134.776%0.75978%0.778SS**  trans97.5112.5138.3-127.7127.4163.300120.6
195D43.1Very low41.8Very low122 Ų122135.9 Ų135.965%0.65278%0.779SS**  trans73.1108.9132.5-65.4-18.6000121.9
196C42.6Very low41.1Very low115 Ų115139.2 Ų139.278%0.77779%0.791SS**  30.4111.7114-59.40000118
197L47.8Very low41.7Very low250 Ų250137 Ų137100%1.30979%0.787SS**  -1620111-100.9159.7000109.8

Retrieved 197 of 197 residues in 596.2 ms (Link to these results)

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