A0A077ZBV1_TRITR Loading...

Reverse transcriptase domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZBV1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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
1M36.6Very low64.4Low182 Ų18292.3 Ų92.390%0.89744%0.441SS*.  0110.50-154172.7-132.800105.7W3M1-W3 HydrophobicContact CB-CZ2 4.1Å; M1-W3 HydrophobicContact CG-CH2 4.2Å; M1-W3 HydrophobicContact CG-CZ2 4.05Å; M1-W3 PolarHBondContact O-N 2.98Å; M1-W3 PolarHBondContact O-NE1 3Å; M1-W3 HydrophobicContact SD-CH2 3.3Å; M1-W3 WeakPolarHBondContact SD-CH2 3.35Å; M1-W3 HydrophobicContact SD-CZ2 3.44Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.46Å; M1-W3 HydrophobicContact SD-CZ3 4.04Å
2R49Very low65.6Low179 Ų17985.5 Ų85.568%0.67541%0.41SS*.  trans-77.7107.2-174.7-148.1178.5-165.3171.74.1107.6T4 S114R2-T4 PolarHBondContact O-N 3.26Å; R2-S114 WeakPolarHBondContact CG-O 3.46Å; R2-S114 PolarHBondContact NE-O 3.34Å
3W55.8Low66.6Low107 Ų10784.2 Ų84.241%0.40542%0.422SS..  trans-85.3104.9-179.3-57.6106.3000108.7M1 I5 I44 W112M1-W3 HydrophobicContact CB-CZ2 4.1Å; M1-W3 HydrophobicContact CG-CH2 4.2Å; M1-W3 HydrophobicContact CG-CZ2 4.05Å; M1-W3 PolarHBondContact O-N 2.98Å; M1-W3 PolarHBondContact O-NE1 3Å; M1-W3 HydrophobicContact SD-CH2 3.3Å; M1-W3 WeakPolarHBondContact SD-CH2 3.35Å; M1-W3 HydrophobicContact SD-CZ2 3.44Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.46Å; M1-W3 HydrophobicContact SD-CZ3 4.04Å; W3-I5 PolarHBondContact O-N 3.29Å; W3-I44 HydrophobicContact CE3-CD1 4.28Å; W3-I44 HydrophobicContact CE3-CG2 4.4Å; W3-I44 HydrophobicContact CZ3-CG2 4.15Å; W3-W112 WeakPolarHBondContact O-CZ2 3.38Å
4T65.3Low67.7Low84 Ų8484.1 Ų84.152%0.51543%0.434SS..  trans-85.1108.2167.9-51.90000107.6R2 F6R2-T4 PolarHBondContact O-N 3.26Å; T4-F6 HydrophobicContact CG2-CB 4.2Å
5I69.9Low68.6Low0 Ų081.5 Ų81.50%042%0.417CS..  trans-75.1-18.517659.6163.4000113.2W3 S7 L11 V36 I46 F110 W112W3-I5 PolarHBondContact O-N 3.29Å; I5-S7 VanDerWaalsContact C-N 3.3Å; I5-S7 PolarHBondContact O-N 3.1Å; I5-L11 HydrophobicContact CD1-CD2 4.27Å; I5-L11 PolarHBondContact O-N 3.23Å; I5-V36 HydrophobicContact CG2-CG2 4.15Å; I5-I46 HydrophobicContact CB-CD1 3.58Å; I5-I46 HydrophobicContact CB-CG1 4.29Å; I5-I46 HydrophobicContact CD1-CD1 3.98Å; I5-I46 HydrophobicContact CG1-CD1 4.32Å; I5-I46 HydrophobicContact CG2-CD1 3.85Å; I5-I46 HydrophobicContact CG2-CG1 4.01Å; I5-F110 HydrophobicContact CD1-CE2 4.22Å; I5-W112 HydrophobicContact CB-CH2 4.34Å; I5-W112 HydrophobicContact CB-CZ2 4.02Å; I5-W112 HydrophobicContact CD1-CB 4.33Å; I5-W112 HydrophobicContact CD1-CD2 3.23Å; I5-W112 HydrophobicContact CD1-CE3 3.53Å; I5-W112 HydrophobicContact CD1-CG 3.57Å; I5-W112 HydrophobicContact CD1-CH2 4.34Å; I5-W112 HydrophobicContact CD1-CZ2 4.1Å; I5-W112 HydrophobicContact CD1-CZ3 4.07Å; I5-W112 HydrophobicContact CG1-CD2 3.71Å; I5-W112 HydrophobicContact CG1-CE3 4.28Å; I5-W112 HydrophobicContact CG1-CG 4.1Å; I5-W112 HydrophobicContact CG1-CH2 4.33Å; I5-W112 HydrophobicContact CG1-CZ2 3.76Å; I5-W112 HydrophobicContact CG2-CD2 4.46Å; I5-W112 HydrophobicContact CG2-CE3 4.41Å; I5-W112 HydrophobicContact CG2-CH2 3.24Å; I5-W112 HydrophobicContact CG2-CZ2 3.28Å; I5-W112 HydrophobicContact CG2-CZ3 3.84Å
6F72.3Confident69.3Low64 Ų6477.8 Ų77.828%0.28140%0.397SS..  trans-81.981.2178.6-49.5-55.1000108.7T4 L11 L16 F110 W112 F123T4-F6 HydrophobicContact CG2-CB 4.2Å; F6-L11 HydrophobicContact CE1-CD2 4.42Å; F6-L16 HydrophobicContact CD1-CD1 3.32Å; F6-L16 HydrophobicContact CE1-CD1 3.2Å; F6-L16 HydrophobicContact CZ-CD1 4.33Å; F6-F110 HydrophobicContact CE1-CZ 4.48Å; F6-W112 AromaticContact CE2-CD1 3.56Å; F6-W112 HydrophobicContact CE2-CG 4.46Å; F6-W112 HydrophobicContact CZ-CB 4.38Å; F6-W112 AromaticContact CZ-CD1 3.57Å; F6-W112 HydrophobicContact CZ-CG 4.06Å; F6-F123 HydrophobicContact CE1-CD1 4.33Å; F6-F123 HydrophobicContact CE1-CE1 4.25Å; F6-F123 HydrophobicContact CE1-CZ 4.49Å; F6-F123 HydrophobicContact CE2-CE1 4.04Å; F6-F123 HydrophobicContact CE2-CE2 4.29Å; F6-F123 AromaticContact CE2-CZ 3.73Å; F6-F123 HydrophobicContact CE2-CZ 3.73Å; F6-F123 AromaticContact CZ-CD1 3.99Å; F6-F123 HydrophobicContact CZ-CD1 3.99Å; F6-F123 HydrophobicContact CZ-CD2 4.13Å; F6-F123 AromaticContact CZ-CE1 3.57Å; F6-F123 HydrophobicContact CZ-CE1 3.57Å; F6-F123 AromaticContact CZ-CE2 3.73Å; F6-F123 HydrophobicContact CZ-CE2 3.73Å; F6-F123 HydrophobicContact CZ-CG 4.25Å; F6-F123 AromaticContact CZ-CZ 3.43Å; F6-F123 HydrophobicContact CZ-CZ 3.43Å; F6-F123 VanDerWaalsContact CZ-CZ 3.43Å
7S72Confident69.5Low42 Ų4281.2 Ų81.229%0.29440%0.404SS..SBendtrans-129.9155.7166.571.80000109I5 E9 I10 L11I5-S7 VanDerWaalsContact C-N 3.3Å; I5-S7 PolarHBondContact O-N 3.1Å; S7-E9 PolarHBondContact O-N 3.41Å; S7-E9 VanDerWaalsContact O-N 3.16Å; S7-I10 PolarHBondContact O-N 3.32Å; S7-I10 VanDerWaalsContact O-N 3.11Å; S7-I10 WeakPolarHBondContact OG-CB 3.48Å; S7-I10 VanDerWaalsContact OG-CG1 3.28Å; S7-I10 WeakPolarHBondContact OG-CG1 3.08Å; S7-I10 PolarHBondContact OG-N 3.45Å; S7-L11 CarbonylContact O-C 3.58Å; S7-L11 PolarHBondContact O-N 3.1Å
8D66.8Low69.2Low139 Ų13980.8 Ų80.874%0.74341%0.407SS*.THydrogen-bonded Turntrans-60.3-25.7178.1-67.6-32.9000112.3P12D8-P12 WeakPolarHBondContact O-CG 3.36Å
9E68.5Low68.6Low172 Ų17278.6 Ų78.680%0.80440%0.4SS*.THydrogen-bonded Turntrans-81-25.3178.3-64.7-175.2175.100114S7S7-E9 PolarHBondContact O-N 3.41Å; S7-E9 VanDerWaalsContact O-N 3.16Å
10I73.6Confident67.7Low45 Ų4585.7 Ų85.723%0.23142%0.421CS..THydrogen-bonded Turntrans-111.3-55.8-171.4-55.8171.1000111S7 I44 I46S7-I10 PolarHBondContact O-N 3.32Å; S7-I10 VanDerWaalsContact O-N 3.11Å; S7-I10 WeakPolarHBondContact OG-CB 3.48Å; S7-I10 VanDerWaalsContact OG-CG1 3.28Å; S7-I10 WeakPolarHBondContact OG-CG1 3.08Å; S7-I10 PolarHBondContact OG-N 3.45Å; I10-I44 HydrophobicContact CD1-CD1 3.76Å; I10-I44 HydrophobicContact CD1-CG1 3.63Å; I10-I46 HydrophobicContact CG2-CD1 3.48Å; I10-I46 VanDerWaalsContact CG2-CD1 3.48Å; I10-I46 HydrophobicContact CG2-CG1 3.57Å
11L78.6Confident66.6Low1 Ų187.1 Ų87.11%0.00543%0.431CS..  trans-153.589.2179.9-17161.8000109.3I5 F6 S7 A13 L16 I46 F48 F110 K125I5-L11 HydrophobicContact CD1-CD2 4.27Å; I5-L11 PolarHBondContact O-N 3.23Å; F6-L11 HydrophobicContact CE1-CD2 4.42Å; S7-L11 CarbonylContact O-C 3.58Å; S7-L11 PolarHBondContact O-N 3.1Å; L11-A13 PolarHBondContact O-N 3.44Å; L11-L16 HydrophobicContact CD1-CD2 4.43Å; L11-L16 HydrophobicContact CD2-CD1 4.02Å; L11-L16 HydrophobicContact CD2-CD2 4.02Å; L11-L16 HydrophobicContact CD2-CG 4.48Å; L11-L16 HydrophobicContact CG-CD1 4.13Å; L11-L16 HydrophobicContact CG-CD2 4.22Å; L11-L16 HydrophobicContact CG-CG 4.37Å; L11-I46 HydrophobicContact CB-CD1 3.82Å; L11-I46 HydrophobicContact CD2-CD1 3.95Å; L11-I46 HydrophobicContact CG-CD1 4.5Å; L11-F48 HydrophobicContact CD2-CZ 4.08Å; L11-F110 HydrophobicContact CD2-CZ 3.98Å; L11-K125 HydrophobicContact CD1-CD 4.48Å
12P79.2Confident67Low11 Ų1183.7 Ų83.77%0.07142%0.424CS..  trans-53.3135.3179.3-27.132.1000111.8D8 S14 Y15D8-P12 WeakPolarHBondContact O-CG 3.36Å; P12-S14 PolarHBondContact O-N 3.46Å; P12-S14 VanDerWaalsContact O-N 3.13Å; P12-Y15 HydrophobicContact CB-CD2 4.03Å; P12-Y15 HydrophobicContact CB-CE2 4.13Å; P12-Y15 HydrophobicContact CB-CG 4.26Å; P12-Y15 HydrophobicContact CG-CD2 3.84Å; P12-Y15 HydrophobicContact CG-CE2 3.61Å; P12-Y15 WeakPolarHBondContact O-CB 3.06Å; P12-Y15 PolarHBondContact O-N 2.65Å
13A77.9Confident66.7Low69 Ų6982.4 Ų82.457%0.5743%0.429SS*.G310 helixtrans-59.2-28.4179.200000112.4L11 Y15 L16L11-A13 PolarHBondContact O-N 3.44Å; A13-Y15 PolarHBondContact O-N 3.26Å; A13-Y15 VanDerWaalsContact O-N 3.16Å; A13-L16 WeakPolarHBondContact O-CB 3.15Å; A13-L16 PolarHBondContact O-N 3.08Å
14S82Confident66.3Low83 Ų8382.4 Ų82.458%0.5844%0.437SS*.G310 helixtrans-62.6-18.8175.7640000113.8P12 L16 N126P12-S14 PolarHBondContact O-N 3.46Å; P12-S14 VanDerWaalsContact O-N 3.13Å; S14-L16 VanDerWaalsContact C-N 3.28Å; S14-N126 PolarHBondContact O-ND2 3.12Å
15Y81.2Confident65.5Low45 Ų4582.7 Ų82.718%0.17645%0.448CS..G310 helixtrans-88.30.1176.7-60.2-14.2000113.2P12 A13 L96 N126 R127P12-Y15 HydrophobicContact CB-CD2 4.03Å; P12-Y15 HydrophobicContact CB-CE2 4.13Å; P12-Y15 HydrophobicContact CB-CG 4.26Å; P12-Y15 HydrophobicContact CG-CD2 3.84Å; P12-Y15 HydrophobicContact CG-CE2 3.61Å; P12-Y15 WeakPolarHBondContact O-CB 3.06Å; P12-Y15 PolarHBondContact O-N 2.65Å; A13-Y15 PolarHBondContact O-N 3.26Å; A13-Y15 VanDerWaalsContact O-N 3.16Å; Y15-L96 HydrophobicContact CD2-CB 4.23Å; Y15-L96 HydrophobicContact CD2-CD2 4.29Å; Y15-L96 HydrophobicContact CE2-CB 3.76Å; Y15-L96 HydrophobicContact CE2-CD1 4.3Å; Y15-L96 HydrophobicContact CE2-CG 4.45Å; Y15-N126 VanDerWaalsContact CA-OD1 3.26Å; Y15-N126 WeakPolarHBondContact CA-OD1 3.22Å; Y15-N126 VanDerWaalsContact O-CG 3.27Å; Y15-N126 PolarHBondContact O-N 2.74Å; Y15-N126 PolarHBondContact O-OD1 3.3Å; Y15-N126 VanDerWaalsContact O-OD1 3.08Å; Y15-R127 HydrophobicContact CD1-CG 3.76Å; Y15-R127 HydrophobicContact CD2-CG 4.3Å; Y15-R127 HydrophobicContact CE1-CG 4.29Å; Y15-R127 HydrophobicContact CG-CG 3.77Å
16L80.2Confident64.4Low21 Ų2188.9 Ų88.911%0.1148%0.477CS..EExtended strand (participates in β ladder)trans-120153.2-174.4-55.4179.5000111.2F6 L11 A13 S14 F110 F123 Q124 K125F6-L16 HydrophobicContact CD1-CD1 3.32Å; F6-L16 HydrophobicContact CE1-CD1 3.2Å; F6-L16 HydrophobicContact CZ-CD1 4.33Å; L11-L16 HydrophobicContact CD1-CD2 4.43Å; L11-L16 HydrophobicContact CD2-CD1 4.02Å; L11-L16 HydrophobicContact CD2-CD2 4.02Å; L11-L16 HydrophobicContact CD2-CG 4.48Å; L11-L16 HydrophobicContact CG-CD1 4.13Å; L11-L16 HydrophobicContact CG-CD2 4.22Å; L11-L16 HydrophobicContact CG-CG 4.37Å; A13-L16 WeakPolarHBondContact O-CB 3.15Å; A13-L16 PolarHBondContact O-N 3.08Å; S14-L16 VanDerWaalsContact C-N 3.28Å; L16-F110 HydrophobicContact CD1-CZ 4.39Å; L16-F110 HydrophobicContact CD2-CE1 3.72Å; L16-F110 HydrophobicContact CD2-CZ 3.79Å; L16-F123 HydrophobicContact CD1-CD1 4.48Å; L16-Q124 CarbonylContact C-O 3.01Å; L16-Q124 WeakPolarHBondContact CA-O 3.46Å; L16-K125 HydrophobicContact CD2-CD 4.37Å; L16-K125 HydrophobicContact CD2-CG 3.73Å
17R72Confident63.4Low137 Ų13796.7 Ų96.752%0.51751%0.511SS..EExtended strand (participates in β ladder)trans-124.4135.4156.4-71.7-173.2-177.3-157.51.6107.9S19 Q124R17-S19 PolarHBondContact O-N 3.39Å; R17-Q124 PolarHBondContact N-O 3.11Å; R17-Q124 PolarHBondContact O-N 3.5Å
18T63.8Low62.8Low74 Ų7497.6 Ų97.645%0.45453%0.527SS..EExtended strand (participates in β ladder)trans-68.2117.5160.547.50000106.5W20 F123T18-W20 PolarHBondContact O-N 3.02Å; T18-W20 PolarHBondContact OG1-NE1 3.24Å; T18-F123 HydrophobicContact CG2-CD1 4.3Å; T18-F123 HydrophobicContact CG2-CE1 3.97Å
19S58.6Low63Low38 Ų3893.3 Ų93.327%0.26651%0.506SS..  trans-73.2103174.566.80000107.4R17 D21R17-S19 PolarHBondContact O-N 3.39Å; S19-D21 PolarHBondContact O-N 2.74Å
20W50.1Low63.7Low220 Ų22088.6 Ų88.683%0.83348%0.481SS*.  trans-74.2-12.2178.3-79.294.1000112.9T18T18-W20 PolarHBondContact O-N 3.02Å; T18-W20 PolarHBondContact OG1-NE1 3.24Å
21D46.1Very low64.4Low116 Ų11690.7 Ų90.762%0.6249%0.49SS*.  trans-110.987.3-179.4-66.5-46000111.5S19 L23S19-D21 PolarHBondContact O-N 2.74Å; D21-L23 PolarHBondContact O-N 2.93Å
22C44.1Very low65Low110 Ų11091 Ų9174%0.74349%0.491SS*.G310 helixtrans-65.44.6167.5-42.80000113
23L43.7Very low65.5Low152 Ų15295.1 Ų95.180%0.79651%0.511SS*.G310 helixtrans-84.3-10.5178.6-69.8171.5000113.3D21D21-L23 PolarHBondContact O-N 2.93Å
24L47.5Very low66.1Low107 Ų10793.2 Ų93.256%0.5649%0.492SS*.G310 helixtrans-101.928.9176.9-67.1174000113.8E26 T29L24-E26 HydrophobicContact CD2-CG 4.06Å; L24-E26 WeakPolarHBondContact CD2-OE2 3.45Å; L24-E26 PolarHBondContact O-N 3.41Å; L24-T29 PolarHBondContact O-OG1 3.06Å
25A47.5Very low66.4Low90 Ų9092.9 Ų92.974%0.74448%0.48SS*.  trans-71.142.6146.200000110.1
26E47.4Very low66.7Low131 Ų13193.3 Ų93.361%0.61249%0.487SS*.  trans-70.5147.1162.4-70.1-177.5167.700107.1L24 G28 T29L24-E26 HydrophobicContact CD2-CG 4.06Å; L24-E26 WeakPolarHBondContact CD2-OE2 3.45Å; L24-E26 PolarHBondContact O-N 3.41Å; E26-G28 PolarHBondContact O-N 3.23Å; E26-T29 PolarHBondContact O-OG1 3.2Å
27F49.7Very low67.2Low228 Ų22896 Ų96100%150%0.501SS*.THydrogen-bonded Turntrans-40.8123.4-177.6-85.9-97.8000112.7
28G60.4Low68Low61 Ų6196.4 Ų96.463%0.62950%0.503SS*.THydrogen-bonded Turntrans115.31.6174.500000116.5E26 Y30E26-G28 PolarHBondContact O-N 3.23Å; G28-Y30 WeakPolarHBondContact O-CD2 3.19Å; G28-Y30 PolarHBondContact O-N 2.99Å
29T71.2Confident69.1Low49 Ų4997.1 Ų97.130%0.30150%0.503SS..  trans-78.6120.1177.3-590000112.1L24 E26 H109L24-T29 PolarHBondContact O-OG1 3.06Å; E26-T29 PolarHBondContact O-OG1 3.2Å; T29-H109 WeakPolarHBondContact CG2-ND1 3.25Å
30Y83Confident70.6Confident73 Ų7397.7 Ų97.729%0.28651%0.507SS..  trans-94.4139.6174.1-74-93.9000111.2G28 L59 H62 I107G28-Y30 WeakPolarHBondContact O-CD2 3.19Å; G28-Y30 PolarHBondContact O-N 2.99Å; Y30-L59 HydrophobicContact CD1-CB 4.07Å; Y30-L59 HydrophobicContact CD1-CD1 4.04Å; Y30-L59 HydrophobicContact CD2-CD1 4.07Å; Y30-L59 HydrophobicContact CG-CD1 3.77Å; Y30-H62 AromaticContact CE1-CD2 3.97Å; Y30-H62 AromaticContact CZ-CD2 3.7Å; Y30-H62 PolarHBondContact OH-CD2 3.42Å; Y30-H62 PolarHBondContact OH-NE2 2.85Å; Y30-I107 HydrophobicContact CD2-CG2 4.32Å
31H87.8Confident72.3Confident88 Ų8898.2 Ų98.241%0.40751%0.509SS..BIsolated β-bridgetrans-110.6122.8166.9-6976.1000108.7H109H31-H109 CarbonylContact C-O 3.42Å; H31-H109 WeakPolarHBondContact CA-O 3.43Å
32I91.5Very high74.2Confident8 Ų899.2 Ų99.24%0.04152%0.52CS..  trans-74.1129.4174-53.9176.2000107.9V34 F48 A50 L59 L108 H109 V129 L132I32-V34 PolarHBondContact O-N 3.41Å; I32-F48 HydrophobicContact CG2-CB 3.8Å; I32-F48 HydrophobicContact CG2-CD1 4.28Å; I32-A50 HydrophobicContact CG2-CB 4.39Å; I32-L59 HydrophobicContact CD1-CD2 4.06Å; I32-L59 HydrophobicContact CG1-CD2 3.73Å; I32-L108 HydrophobicContact CD1-CD2 3.81Å; I32-H109 PolarHBondContact N-O 3.27Å; I32-V129 HydrophobicContact CD1-CG2 4.02Å; I32-L132 HydrophobicContact CD1-CD2 4.12Å
33M90Very high76.1Confident97 Ų97100.2 Ų100.248%0.47851%0.511SS..EExtended strand (participates in β ladder)trans-66.5132.7175.2-170.4166.777.900109.4F35 D49 A52M33-F35 HydrophobicContact CE-CD1 4.31Å; M33-F35 HydrophobicContact CE-CE1 4.26Å; M33-D49 HydrophobicContact CB-CB 4.49Å; M33-D49 HydrophobicContact CE-CB 4.37Å; M33-D49 WeakPolarHBondContact CE-OD2 3.14Å; M33-D49 PolarHBondContact O-N 3.45Å; M33-A52 HydrophobicContact CB-CB 3.82Å; M33-A52 HydrophobicContact CE-CB 3.55Å; M33-A52 HydrophobicContact CG-CB 4.5Å; M33-A52 HydrophobicContact SD-CB 3.94Å
34V90.4Very high78.1Confident30 Ų3094 Ų9418%0.18248%0.479CS..EExtended strand (participates in β ladder)trans-117.4130.5-179.6176.60000109.8I32 I46 V47 F48 F110 W112I32-V34 PolarHBondContact O-N 3.41Å; V34-I46 HydrophobicContact CG1-CG2 3.44Å; V34-I46 VanDerWaalsContact CG1-CG2 3.44Å; V34-V47 WeakPolarHBondContact CA-O 3.48Å; V34-F48 HydrophobicContact CG2-CD1 3.56Å; V34-F48 HydrophobicContact CG2-CE1 3.55Å; V34-F48 HydrophobicContact CG2-CG 4.45Å; V34-F48 HydrophobicContact CG2-CZ 4.43Å; V34-F110 HydrophobicContact CG2-CB 3.54Å; V34-F110 HydrophobicContact CG2-CD2 3.85Å; V34-F110 HydrophobicContact CG2-CG 3.91Å; V34-W112 HydrophobicContact CG1-CE3 4.41Å; V34-W112 HydrophobicContact CG1-CZ3 4.44Å
35F88.3Confident80Confident76 Ų7696.3 Ų96.333%0.33348%0.48SS..EExtended strand (participates in β ladder)trans-133.5152168.649.1-92.9000111.4M33 I37 V47 D49M33-F35 HydrophobicContact CE-CD1 4.31Å; M33-F35 HydrophobicContact CE-CE1 4.26Å; F35-I37 HydrophobicContact CD2-CD1 4.23Å; F35-I37 HydrophobicContact CD2-CG1 3.85Å; F35-I37 HydrophobicContact CE2-CD1 3.94Å; F35-I37 HydrophobicContact CE2-CG1 4.09Å; F35-V47 HydrophobicContact CD2-CB 3.68Å; F35-V47 HydrophobicContact CD2-CG1 4.3Å; F35-V47 HydrophobicContact CD2-CG2 4.12Å; F35-V47 HydrophobicContact CE1-CB 4.38Å; F35-V47 HydrophobicContact CE1-CG1 4.12Å; F35-V47 HydrophobicContact CE2-CB 3.32Å; F35-V47 HydrophobicContact CE2-CG1 3.49Å; F35-V47 VanDerWaalsContact CE2-CG1 3.49Å; F35-V47 HydrophobicContact CE2-CG2 3.74Å; F35-V47 HydrophobicContact CG-CB 4.33Å; F35-V47 HydrophobicContact CZ-CB 3.72Å; F35-V47 HydrophobicContact CZ-CG1 3.37Å; F35-V47 HydrophobicContact CZ-CG2 4.49Å; F35-V47 PolarHBondContact N-O 2.94Å; F35-V47 VanDerWaalsContact N-O 3.1Å; F35-V47 PolarHBondContact O-N 3.35Å; F35-D49 HydrophobicContact CD1-CB 4.28Å; F35-D49 HydrophobicContact CE1-CB 3.37Å; F35-D49 HydrophobicContact CZ-CB 4.04Å
36V87.6Confident82Confident53 Ų5393 Ų9332%0.32145%0.449SS..EExtended strand (participates in β ladder)trans-104.8119.2179.2-179.30000108.6I5 I44 W112I5-V36 HydrophobicContact CG2-CG2 4.15Å; V36-I44 HydrophobicContact CG1-CB 3.88Å; V36-I44 HydrophobicContact CG1-CD1 3.83Å; V36-I44 HydrophobicContact CG1-CG1 4.37Å; V36-I44 HydrophobicContact CG1-CG2 4.26Å; V36-W112 HydrophobicContact CG2-CH2 3.69Å; V36-W112 HydrophobicContact CG2-CZ3 3.8Å
37I90.1Very high84Confident79 Ų7988.1 Ų88.141%0.40543%0.429SS..EExtended strand (participates in β ladder)trans-99.5133.8172.6-51.9-179000108.6F35 I44 R45 V47F35-I37 HydrophobicContact CD2-CD1 4.23Å; F35-I37 HydrophobicContact CD2-CG1 3.85Å; F35-I37 HydrophobicContact CE2-CD1 3.94Å; F35-I37 HydrophobicContact CE2-CG1 4.09Å; I37-I44 CarbonylContact O-C 3.55Å; I37-I44 VanDerWaalsContact O-CA 3.3Å; I37-I44 WeakPolarHBondContact O-CA 3.42Å; I37-R45 PolarHBondContact N-O 3.21Å; I37-R45 PolarHBondContact O-N 3.16Å; I37-V47 HydrophobicContact CD1-CG2 3.6Å; I37-V47 HydrophobicContact CG1-CG2 3.98Å
38R88.6Confident86Confident144 Ų14478 Ų7854%0.54338%0.384SS..EExtended strand (participates in β ladder)trans-84.3115.4168.9-168.4171.8-166.5167.96.1109.6S40 R41 I44R38-S40 WeakPolarHBondContact CG-O 3.3Å; R38-S40 PolarHBondContact NE-O 2.73Å; R38-S40 VanDerWaalsContact NE-O 3.13Å; R38-R41 PolarHBondContact NH2-O 2.76Å; R38-I44 HydrophobicContact CG-CG2 4.46Å
39I88.5Confident87.6Confident89 Ų8976.6 Ų76.646%0.45636%0.362SS..  trans-84.9-39.2178.4-58.6175.6000110.4K43 R45I39-K43 HydrophobicContact CB-CB 4.44Å; I39-K43 HydrophobicContact CB-CG 4.48Å; I39-K43 HydrophobicContact CD1-CG 4.47Å; I39-K43 PolarHBondContact N-O 2.77Å; I39-R45 HydrophobicContact CD1-CB 3.4Å; I39-R45 VanDerWaalsContact CD1-CB 3.4Å; I39-R45 HydrophobicContact CD1-CG 4.36Å; I39-R45 HydrophobicContact CG1-CB 3.96Å
40S89.4Confident88.7Confident51 Ų5174.4 Ų74.436%0.35735%0.349SS..SBendtrans-147.1-176.2179.381.30000111.3R38 T42 K43R38-S40 WeakPolarHBondContact CG-O 3.3Å; R38-S40 PolarHBondContact NE-O 2.73Å; R38-S40 VanDerWaalsContact NE-O 3.13Å; S40-T42 PolarHBondContact O-N 2.85Å; S40-T42 PolarHBondContact OG-N 2.64Å; S40-K43 PolarHBondContact N-O 2.86Å; S40-K43 VanDerWaalsContact OG-CB 3.3Å; S40-K43 WeakPolarHBondContact OG-CB 3.11Å; S40-K43 PolarHBondContact OG-N 3.01Å
41R85.9Confident89.2Confident230 Ų23074.1 Ų74.187%0.86836%0.358SS*.SBendtrans-55.7-35175.2-74.4-173.2177.4-175.60112.5R38R38-R41 PolarHBondContact NH2-O 2.76Å
42T85.2Confident89.5Confident138 Ų13871.4 Ų71.485%0.84735%0.351SS*.SBendtrans-112.3-14.5-176.252.90000113.9S40S40-T42 PolarHBondContact O-N 2.85Å; S40-T42 PolarHBondContact OG-N 2.64Å
43K84.1Confident89.5Confident130 Ų13077.8 Ų77.857%0.56538%0.378SS*.  trans-111.3129.6-172.7-165.3169.9-174.9169.60112.2I39 S40I39-K43 HydrophobicContact CB-CB 4.44Å; I39-K43 HydrophobicContact CB-CG 4.48Å; I39-K43 HydrophobicContact CD1-CG 4.47Å; I39-K43 PolarHBondContact N-O 2.77Å; S40-K43 PolarHBondContact N-O 2.86Å; S40-K43 VanDerWaalsContact OG-CB 3.3Å; S40-K43 WeakPolarHBondContact OG-CB 3.11Å; S40-K43 PolarHBondContact OG-N 3.01Å
44I86.9Confident89.5Confident23 Ų2382.1 Ų82.112%0.11840%0.395CS..EExtended strand (participates in β ladder)trans-114.5163.4169.663.8169.6000110.4W3 I10 V36 I37 R38W3-I44 HydrophobicContact CE3-CD1 4.28Å; W3-I44 HydrophobicContact CE3-CG2 4.4Å; W3-I44 HydrophobicContact CZ3-CG2 4.15Å; I10-I44 HydrophobicContact CD1-CD1 3.76Å; I10-I44 HydrophobicContact CD1-CG1 3.63Å; V36-I44 HydrophobicContact CG1-CB 3.88Å; V36-I44 HydrophobicContact CG1-CD1 3.83Å; V36-I44 HydrophobicContact CG1-CG1 4.37Å; V36-I44 HydrophobicContact CG1-CG2 4.26Å; I37-I44 CarbonylContact O-C 3.55Å; I37-I44 VanDerWaalsContact O-CA 3.3Å; I37-I44 WeakPolarHBondContact O-CA 3.42Å; R38-I44 HydrophobicContact CG-CG2 4.46Å
45R87.3Confident89.5Confident155 Ų15584.5 Ų84.559%0.58543%0.425SS*.EExtended strand (participates in β ladder)trans-138.1133.4171.2168.4-178.7-83.4-173-5.8109.5I37 I39 V47I37-R45 PolarHBondContact N-O 3.21Å; I37-R45 PolarHBondContact O-N 3.16Å; I39-R45 HydrophobicContact CD1-CB 3.4Å; I39-R45 VanDerWaalsContact CD1-CB 3.4Å; I39-R45 HydrophobicContact CD1-CG 4.36Å; I39-R45 HydrophobicContact CG1-CB 3.96Å; R45-V47 HydrophobicContact CG-CG2 4.35Å
46I87.9Confident89.8Confident20 Ų2083.9 Ų83.910%0.10344%0.44CS..EExtended strand (participates in β ladder)trans-83.3133.5169.9-52.8173.1000108.1I5 I10 L11 V34 F48I5-I46 HydrophobicContact CB-CD1 3.58Å; I5-I46 HydrophobicContact CB-CG1 4.29Å; I5-I46 HydrophobicContact CD1-CD1 3.98Å; I5-I46 HydrophobicContact CG1-CD1 4.32Å; I5-I46 HydrophobicContact CG2-CD1 3.85Å; I5-I46 HydrophobicContact CG2-CG1 4.01Å; I10-I46 HydrophobicContact CG2-CD1 3.48Å; I10-I46 VanDerWaalsContact CG2-CD1 3.48Å; I10-I46 HydrophobicContact CG2-CG1 3.57Å; L11-I46 HydrophobicContact CB-CD1 3.82Å; L11-I46 HydrophobicContact CD2-CD1 3.95Å; L11-I46 HydrophobicContact CG-CD1 4.5Å; V34-I46 HydrophobicContact CG1-CG2 3.44Å; V34-I46 VanDerWaalsContact CG1-CG2 3.44Å; I46-F48 HydrophobicContact CB-CE2 4.3Å; I46-F48 HydrophobicContact CG2-CD2 4.2Å; I46-F48 HydrophobicContact CG2-CE2 3.64Å; I46-F48 HydrophobicContact CG2-CZ 3.87Å
47V89.7Confident90.1Very high29 Ų2983.5 Ų83.518%0.17644%0.438CS..EExtended strand (participates in β ladder)trans-115.6130.1171.9-178.30000108.6V34 F35 I37 R45V34-V47 WeakPolarHBondContact CA-O 3.48Å; F35-V47 HydrophobicContact CD2-CB 3.68Å; F35-V47 HydrophobicContact CD2-CG1 4.3Å; F35-V47 HydrophobicContact CD2-CG2 4.12Å; F35-V47 HydrophobicContact CE1-CB 4.38Å; F35-V47 HydrophobicContact CE1-CG1 4.12Å; F35-V47 HydrophobicContact CE2-CB 3.32Å; F35-V47 HydrophobicContact CE2-CG1 3.49Å; F35-V47 VanDerWaalsContact CE2-CG1 3.49Å; F35-V47 HydrophobicContact CE2-CG2 3.74Å; F35-V47 HydrophobicContact CG-CB 4.33Å; F35-V47 HydrophobicContact CZ-CB 3.72Å; F35-V47 HydrophobicContact CZ-CG1 3.37Å; F35-V47 HydrophobicContact CZ-CG2 4.49Å; F35-V47 PolarHBondContact N-O 2.94Å; F35-V47 VanDerWaalsContact N-O 3.1Å; F35-V47 PolarHBondContact O-N 3.35Å; I37-V47 HydrophobicContact CD1-CG2 3.6Å; I37-V47 HydrophobicContact CG1-CG2 3.98Å; R45-V47 HydrophobicContact CG-CG2 4.35Å
48F92.2Very high90.2Very high14 Ų1480 Ų806%0.06142%0.42CS..EExtended strand (participates in β ladder)trans-100.2102.8173.7-69.5-87.2000107.2L11 I32 V34 I46 A50 F110 K125 V129L11-F48 HydrophobicContact CD2-CZ 4.08Å; I32-F48 HydrophobicContact CG2-CB 3.8Å; I32-F48 HydrophobicContact CG2-CD1 4.28Å; V34-F48 HydrophobicContact CG2-CD1 3.56Å; V34-F48 HydrophobicContact CG2-CE1 3.55Å; V34-F48 HydrophobicContact CG2-CG 4.45Å; V34-F48 HydrophobicContact CG2-CZ 4.43Å; I46-F48 HydrophobicContact CB-CE2 4.3Å; I46-F48 HydrophobicContact CG2-CD2 4.2Å; I46-F48 HydrophobicContact CG2-CE2 3.64Å; I46-F48 HydrophobicContact CG2-CZ 3.87Å; F48-A50 PolarHBondContact O-N 2.65Å; F48-F110 HydrophobicContact CE1-CB 4.37Å; F48-F110 AromaticContact CE1-CD1 3.86Å; F48-F110 HydrophobicContact CE1-CD1 3.86Å; F48-F110 HydrophobicContact CE1-CD2 4.32Å; F48-F110 HydrophobicContact CE1-CE1 4.19Å; F48-F110 AromaticContact CE1-CG 3.93Å; F48-F110 HydrophobicContact CE1-CG 3.93Å; F48-K125 HydrophobicContact CD1-CD 4.28Å; F48-K125 HydrophobicContact CE1-CD 3.56Å; F48-K125 HydrophobicContact CE2-CD 4.12Å; F48-K125 VanDerWaalsContact CE2-NZ 3.32Å; F48-K125 HydrophobicContact CZ-CD 3.47Å; F48-K125 VanDerWaalsContact CZ-CD 3.47Å; F48-V129 HydrophobicContact CB-CB 4.16Å; F48-V129 HydrophobicContact CB-CG2 4.04Å; F48-V129 HydrophobicContact CD2-CB 4.26Å; F48-V129 HydrophobicContact CD2-CG1 4.26Å; F48-V129 HydrophobicContact CG-CB 4.18Å; F48-V129 HydrophobicContact CG-CG1 4.24Å; F48-V129 HydrophobicContact CG-CG2 4.42Å
49D93.6Very high90.5Very high33 Ų3373.5 Ų73.518%0.17640%0.396CS..EExtended strand (participates in β ladder)trans-95.994.7-177.5-179.211.6000110.8M33 F35 S51 A52M33-D49 HydrophobicContact CB-CB 4.49Å; M33-D49 HydrophobicContact CE-CB 4.37Å; M33-D49 WeakPolarHBondContact CE-OD2 3.14Å; M33-D49 PolarHBondContact O-N 3.45Å; F35-D49 HydrophobicContact CD1-CB 4.28Å; F35-D49 HydrophobicContact CE1-CB 3.37Å; F35-D49 HydrophobicContact CZ-CB 4.04Å; D49-S51 WeakPolarHBondContact OD1-CA 3.41Å; D49-S51 WeakPolarHBondContact OD1-CB 3.46Å; D49-S51 PolarHBondContact OD1-N 2.94Å; D49-S51 PolarHBondContact OD1-OG 2.87Å; D49-A52 PolarHBondContact OD1-N 2.99Å; D49-A52 VanDerWaalsContact OD1-N 3.12Å
50A94Very high90.8Very high2 Ų270.3 Ų70.32%0.01738%0.38CS..THydrogen-bonded Turntrans-82.5-0.6173.700000113.1I32 F48 S58 L59 N60 L132I32-A50 HydrophobicContact CG2-CB 4.39Å; F48-A50 PolarHBondContact O-N 2.65Å; A50-S58 WeakPolarHBondContact O-CB 3.46Å; A50-L59 HydrophobicContact CB-CB 4.19Å; A50-L59 HydrophobicContact CB-CD2 4.09Å; A50-L59 HydrophobicContact CB-CG 4.38Å; A50-L59 PolarHBondContact O-N 3.43Å; A50-N60 WeakPolarHBondContact O-CB 3.25Å; A50-N60 PolarHBondContact O-N 3.23Å; A50-L132 HydrophobicContact CB-CD2 3.65Å
51S94.3Very high91Very high68 Ų6872.1 Ų72.148%0.47639%0.386SS..THydrogen-bonded Turntrans-94-11.1173.974.10000113.3D49 K53 S58D49-S51 WeakPolarHBondContact OD1-CA 3.41Å; D49-S51 WeakPolarHBondContact OD1-CB 3.46Å; D49-S51 PolarHBondContact OD1-N 2.94Å; D49-S51 PolarHBondContact OD1-OG 2.87Å; S51-K53 PolarHBondContact O-N 2.94Å; S51-S58 VanDerWaalsContact O-CB 3.31Å; S51-S58 WeakPolarHBondContact O-CB 3.29Å
52A93.2Very high91.4Very high31 Ų3166.1 Ų66.126%0.25637%0.368SS..  trans-54.712517300000110.5M33 D49 S58M33-A52 HydrophobicContact CB-CB 3.82Å; M33-A52 HydrophobicContact CE-CB 3.55Å; M33-A52 HydrophobicContact CG-CB 4.5Å; M33-A52 HydrophobicContact SD-CB 3.94Å; D49-A52 PolarHBondContact OD1-N 2.99Å; D49-A52 VanDerWaalsContact OD1-N 3.12Å; A52-S58 VanDerWaalsContact O-CB 3.25Å; A52-S58 WeakPolarHBondContact O-CB 3.37Å
53K93.2Very high91.7Very high142 Ų14261.4 Ų61.462%0.61734%0.337SS*.EExtended strand (participates in β ladder)trans-94.2135.7-177.5-68.1-170.1174-1600111.7S51 T57 D61S51-K53 PolarHBondContact O-N 2.94Å; K53-T57 CarbonylContact C-O 3.5Å; K53-T57 VanDerWaalsContact CA-O 3.23Å; K53-T57 WeakPolarHBondContact CA-O 3.2Å; K53-D61 IonicContact NZ-OD2 3.84Å
54F89.3Confident92.2Very high188 Ų18861 Ų6183%0.82535%0.345SS*.EExtended strand (participates in β ladder)trans-135.2131.5168.2179.3-100.7000108.6G56 T57F54-G56 PolarHBondContact O-N 3.05Å; F54-T57 PolarHBondContact N-O 3.31Å; F54-T57 PolarHBondContact O-N 3.28Å; F54-T57 VanDerWaalsContact O-O 3.07Å
55G90.8Very high92.6Very high79 Ų7967 Ų6781%0.81437%0.371SS*.THydrogen-bonded Turntrans60.827.2-174.900000114.2
56G93.8Very high92.9Very high63 Ų6361.3 Ų61.365%0.64936%0.36SS*.THydrogen-bonded Turntrans89.7-9.7176.500000116.2F54F54-G56 PolarHBondContact O-N 3.05Å
57T93.5Very high93.3Very high45 Ų4564.6 Ų64.628%0.27638%0.383SS..EExtended strand (participates in β ladder)trans-125.6161.2179.3-166.70000111.5K53 F54 D61 H62K53-T57 CarbonylContact C-O 3.5Å; K53-T57 VanDerWaalsContact CA-O 3.23Å; K53-T57 WeakPolarHBondContact CA-O 3.2Å; F54-T57 PolarHBondContact N-O 3.31Å; F54-T57 PolarHBondContact O-N 3.28Å; F54-T57 VanDerWaalsContact O-O 3.07Å; T57-D61 WeakPolarHBondContact OG1-CB 3.34Å; T57-H62 VanDerWaalsContact CG2-NE2 3.29Å; T57-H62 WeakPolarHBondContact CG2-NE2 3.38Å; T57-H62 PolarHBondContact OG1-CD2 3.38Å; T57-H62 PolarHBondContact OG1-NE2 3.33Å
58S93.6Very high93.5Very high5 Ų569.3 Ų69.34%0.03541%0.407CS..EExtended strand (participates in β ladder)trans-123165.6174.165.70000110.9A50 S51 A52 N60 D61 H62A50-S58 WeakPolarHBondContact O-CB 3.46Å; S51-S58 VanDerWaalsContact O-CB 3.31Å; S51-S58 WeakPolarHBondContact O-CB 3.29Å; A52-S58 VanDerWaalsContact O-CB 3.25Å; A52-S58 WeakPolarHBondContact O-CB 3.37Å; S58-N60 PolarHBondContact O-N 3.22Å; S58-D61 WeakPolarHBondContact CB-OD2 3.33Å; S58-D61 PolarHBondContact N-OD2 3.25Å; S58-D61 WeakPolarHBondContact O-CB 3.4Å; S58-D61 PolarHBondContact O-N 2.65Å; S58-D61 VanDerWaalsContact O-N 3.12Å; S58-D61 PolarHBondContact OG-N 3.11Å; S58-D61 PolarHBondContact OG-OD2 2.8Å; S58-H62 PolarHBondContact O-CD2 2.96Å
59L93.1Very high93.6Very high9 Ų970.4 Ų70.45%0.04741%0.413CS..G310 helixtrans-57.3-41174.3174.459.8000111.2Y30 I32 A50 D61 H62 L63 I107 L132Y30-L59 HydrophobicContact CD1-CB 4.07Å; Y30-L59 HydrophobicContact CD1-CD1 4.04Å; Y30-L59 HydrophobicContact CD2-CD1 4.07Å; Y30-L59 HydrophobicContact CG-CD1 3.77Å; I32-L59 HydrophobicContact CD1-CD2 4.06Å; I32-L59 HydrophobicContact CG1-CD2 3.73Å; A50-L59 HydrophobicContact CB-CB 4.19Å; A50-L59 HydrophobicContact CB-CD2 4.09Å; A50-L59 HydrophobicContact CB-CG 4.38Å; A50-L59 PolarHBondContact O-N 3.43Å; L59-D61 VanDerWaalsContact C-N 3.27Å; L59-D61 PolarHBondContact O-N 3.22Å; L59-H62 PolarHBondContact O-N 2.9Å; L59-L63 HydrophobicContact CD1-CD1 4.19Å; L59-L63 HydrophobicContact CD1-CD2 4.4Å; L59-L63 HydrophobicContact CD1-CG 4.15Å; L59-L63 HydrophobicContact CD2-CD1 4.38Å; L59-L63 HydrophobicContact CG-CD1 3.88Å; L59-L63 HydrophobicContact CG-CG 4.27Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 3.14Å; L59-I107 HydrophobicContact CD1-CB 4Å; L59-I107 HydrophobicContact CD1-CD1 4.36Å; L59-I107 HydrophobicContact CD1-CG2 4.26Å; L59-I107 HydrophobicContact CD2-CB 4.43Å; L59-L132 HydrophobicContact CD2-CD2 3.74Å; L59-L132 HydrophobicContact CG-CD2 4.47Å
60N95.2Very high93.6Very high22 Ų2271 Ų7112%0.11842%0.419CS..G310 helixtrans-63.9-28.6178.5-81.5-19.9000114.1A50 S58 H62 L63 G131 L132 T133A50-N60 WeakPolarHBondContact O-CB 3.25Å; A50-N60 PolarHBondContact O-N 3.23Å; S58-N60 PolarHBondContact O-N 3.22Å; N60-H62 PolarHBondContact O-N 3.06Å; N60-L63 PolarHBondContact O-N 2.95Å; N60-G131 PolarHBondContact ND2-O 2.77Å; N60-G131 PolarHBondContact OD1-O 3.07Å; N60-L132 WeakPolarHBondContact OD1-CA 3.27Å; N60-T133 WeakPolarHBondContact CB-OG1 3.4Å; N60-T133 PolarHBondContact ND2-OG1 3.28Å; N60-T133 PolarHBondContact OD1-N 2.63Å; N60-T133 PolarHBondContact OD1-OG1 3.29Å
61D94.8Very high93.6Very high89 Ų8972.9 Ų72.948%0.47643%0.428SS..G310 helixtrans-66.6-20.5174.5-63.6-42.7000111.7K53 T57 S58 L59K53-D61 IonicContact NZ-OD2 3.84Å; T57-D61 WeakPolarHBondContact OG1-CB 3.34Å; S58-D61 WeakPolarHBondContact CB-OD2 3.33Å; S58-D61 PolarHBondContact N-OD2 3.25Å; S58-D61 WeakPolarHBondContact O-CB 3.4Å; S58-D61 PolarHBondContact O-N 2.65Å; S58-D61 VanDerWaalsContact O-N 3.12Å; S58-D61 PolarHBondContact OG-N 3.11Å; S58-D61 PolarHBondContact OG-OD2 2.8Å; L59-D61 VanDerWaalsContact C-N 3.27Å; L59-D61 PolarHBondContact O-N 3.22Å
62H92.8Very high93.6Very high104 Ų10473.5 Ų73.548%0.48143%0.433SS..G310 helixtrans-101.4-3.4178.2-63.2-69.5000114Y30 T57 S58 L59 N60Y30-H62 AromaticContact CE1-CD2 3.97Å; Y30-H62 AromaticContact CZ-CD2 3.7Å; Y30-H62 PolarHBondContact OH-CD2 3.42Å; Y30-H62 PolarHBondContact OH-NE2 2.85Å; T57-H62 VanDerWaalsContact CG2-NE2 3.29Å; T57-H62 WeakPolarHBondContact CG2-NE2 3.38Å; T57-H62 PolarHBondContact OG1-CD2 3.38Å; T57-H62 PolarHBondContact OG1-NE2 3.33Å; S58-H62 PolarHBondContact O-CD2 2.96Å; L59-H62 PolarHBondContact O-N 2.9Å; N60-H62 PolarHBondContact O-N 3.06Å
63L93.3Very high93.7Very high38 Ų3876.7 Ų76.720%0.19944%0.441CS..SBendtrans-102.4133180-66.7178.8000111.7L59 N60 I107 L132L59-L63 HydrophobicContact CD1-CD1 4.19Å; L59-L63 HydrophobicContact CD1-CD2 4.4Å; L59-L63 HydrophobicContact CD1-CG 4.15Å; L59-L63 HydrophobicContact CD2-CD1 4.38Å; L59-L63 HydrophobicContact CG-CD1 3.88Å; L59-L63 HydrophobicContact CG-CG 4.27Å; L59-L63 WeakPolarHBondContact O-CG 3.33Å; L59-L63 PolarHBondContact O-N 3.14Å; N60-L63 PolarHBondContact O-N 2.95Å; L63-I107 HydrophobicContact CD1-CD1 4.31Å; L63-I107 HydrophobicContact CD2-CD1 3.66Å; L63-L132 HydrophobicContact CD1-CB 4.3Å; L63-L132 HydrophobicContact CD1-CD2 3.74Å
64T94.2Very high93.9Very high121 Ų12174.5 Ų74.574%0.74244%0.439SS*.  trans-76.3127.4171.2-58.60000109.8G66 S134T64-G66 PolarHBondContact O-N 3.35Å; T64-G66 VanDerWaalsContact O-N 3.13Å; T64-S134 WeakPolarHBondContact O-CB 3.29Å
65K94.5Very high94.2Very high150 Ų15066.3 Ų66.365%0.65241%0.407SS*.  trans-54.5-31.5178.7-172.9179.2177.5-176.10113.9T133 A137K65-T133 HydrophobicContact CB-CG2 3.73Å; K65-T133 HydrophobicContact CG-CG2 3.92Å; K65-A137 VanDerWaalsContact O-CB 3.27Å; K65-A137 WeakPolarHBondContact O-CB 3.46Å
66G94.5Very high94.5Very high36 Ų3662.5 Ų62.537%0.37137%0.369SS..  trans81.7173.8-171.400000112.2T64T64-G66 PolarHBondContact O-N 3.35Å; T64-G66 VanDerWaalsContact O-N 3.13Å
67P95.6Very high94.7Very high89 Ų8961.7 Ų61.758%0.57835%0.349SS*.  trans-69.5154.7-178.729.2-34.8000111.8L69P67-L69 HydrophobicContact CB-CD2 4.31Å; P67-L69 HydrophobicContact CG-CD1 4.48Å; P67-L69 HydrophobicContact CG-CD2 3.98Å; P67-L69 HydrophobicContact CG-CG 4.11Å; P67-L69 PolarHBondContact O-N 2.85Å
68D93.6Very high94.8Very high128 Ų12865.1 Ų65.168%0.68436%0.364SS*.  trans-75.2111.5166.1-171.2-5.1000109.2T70D68-T70 VanDerWaalsContact OD1-CB 3.29Å; D68-T70 WeakPolarHBondContact OD1-CB 3.2Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.39Å; D68-T70 PolarHBondContact OD1-N 3.31Å; D68-T70 PolarHBondContact OD1-OG1 3.3Å; D68-T70 PolarHBondContact OD2-OG1 3.13Å
69L94.1Very high95Very high36 Ų3667.7 Ų67.719%0.18837%0.374CS..  trans-103.26.2179.2-61.1177.5000112.1P67 M140 Y141 K144P67-L69 HydrophobicContact CB-CD2 4.31Å; P67-L69 HydrophobicContact CG-CD1 4.48Å; P67-L69 HydrophobicContact CG-CD2 3.98Å; P67-L69 HydrophobicContact CG-CG 4.11Å; P67-L69 PolarHBondContact O-N 2.85Å; L69-M140 HydrophobicContact CB-CB 4.05Å; L69-M140 HydrophobicContact CB-CE 4.14Å; L69-M140 HydrophobicContact CB-SD 4.31Å; L69-M140 HydrophobicContact CD1-CB 4.26Å; L69-Y141 HydrophobicContact CD1-CD2 4.35Å; L69-K144 WeakPolarHBondContact O-CE 3.32Å; L69-K144 PolarHBondContact O-NZ 3Å
70T93.7Very high95.2Very high47 Ų4769.2 Ų69.229%0.28838%0.38SS..  trans-69.9147-176.662.60000112D68 M140 Y164 V165D68-T70 VanDerWaalsContact OD1-CB 3.29Å; D68-T70 WeakPolarHBondContact OD1-CB 3.2Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.39Å; D68-T70 PolarHBondContact OD1-N 3.31Å; D68-T70 PolarHBondContact OD1-OG1 3.3Å; D68-T70 PolarHBondContact OD2-OG1 3.13Å; T70-M140 HydrophobicContact CG2-CE 4.09Å; T70-M140 HydrophobicContact CG2-SD 3.52Å; T70-M140 VanDerWaalsContact CG2-SD 3.52Å; T70-Y164 HydrophobicContact CG2-CE2 4.49Å; T70-V165 HydrophobicContact CG2-CG2 3.76Å
71N94Very high95.2Very high41 Ų4177.3 Ų77.322%0.21941%0.409CS..  trans-74.8150.4164.4-77.6-44.2000109.6F73 I76 Q160 F163N71-F73 PolarHBondContact O-N 2.88Å; N71-I76 HydrophobicContact CB-CD1 3.59Å; N71-I76 HydrophobicContact CB-CG1 4.2Å; N71-Q160 PolarHBondContact ND2-O 2.77Å; N71-Q160 PolarHBondContact OD1-O 2.99Å; N71-F163 PolarHBondContact ND2-O 2.9Å
72S94.8Very high95.3Very high81 Ų8181.2 Ų81.257%0.56642%0.417SS*.  trans-54.2115.4173.7173.30000110.5V74 G75 I76S72-V74 VanDerWaalsContact C-N 3.31Å; S72-V74 PolarHBondContact O-N 2.94Å; S72-G75 WeakPolarHBondContact O-CA 3.25Å; S72-G75 PolarHBondContact O-N 3.24Å; S72-G75 PolarHBondContact OG-N 3.26Å; S72-I76 PolarHBondContact O-N 3.11Å
73F95.1Very high95.5Very high98 Ų9879.9 Ų79.943%0.4341%0.408SS..Hα-helixtrans-58.8-43.7180-174.7-119.6000111.5N71 G75 I76 L77 Y164N71-F73 PolarHBondContact O-N 2.88Å; F73-G75 VanDerWaalsContact C-N 3.33Å; F73-G75 PolarHBondContact O-N 3.15Å; F73-I76 PolarHBondContact O-N 3.41Å; F73-L77 HydrophobicContact CD1-CD1 3.99Å; F73-L77 HydrophobicContact CE1-CD1 3.56Å; F73-L77 HydrophobicContact CE1-CG 4.22Å; F73-L77 HydrophobicContact CE2-CD2 4.33Å; F73-L77 HydrophobicContact CE2-CG 4.32Å; F73-L77 HydrophobicContact CZ-CD1 3.84Å; F73-L77 HydrophobicContact CZ-CD2 4.14Å; F73-L77 HydrophobicContact CZ-CG 4.11Å; F73-L77 WeakPolarHBondContact O-CG 3.27Å; F73-L77 PolarHBondContact O-N 3.44Å; F73-Y164 HydrophobicContact CB-CD2 4.17Å; F73-Y164 HydrophobicContact CB-CE2 3.95Å; F73-Y164 HydrophobicContact CD2-CD1 4.09Å; F73-Y164 AromaticContact CD2-CD2 3.83Å; F73-Y164 HydrophobicContact CD2-CD2 3.83Å; F73-Y164 HydrophobicContact CD2-CE1 4.25Å; F73-Y164 HydrophobicContact CD2-CE2 4.01Å; F73-Y164 AromaticContact CD2-CG 3.86Å; F73-Y164 HydrophobicContact CD2-CG 3.86Å; F73-Y164 HydrophobicContact CE2-CD1 4.31Å; F73-Y164 HydrophobicContact CE2-CG 4.44Å; F73-Y164 HydrophobicContact CG-CD2 4.43Å; F73-Y164 HydrophobicContact CG-CE2 4.28Å
74V96.8Very high95.6Very high95 Ų9582.8 Ų82.858%0.57643%0.432SS*.Hα-helixtrans-59.4-44.4174.4177.90000111S72 I76 L77 I78S72-V74 VanDerWaalsContact C-N 3.31Å; S72-V74 PolarHBondContact O-N 2.94Å; V74-I76 VanDerWaalsContact C-N 3.32Å; V74-I76 PolarHBondContact O-N 2.98Å; V74-L77 PolarHBondContact O-N 3.37Å; V74-I78 HydrophobicContact CG1-CD1 3.9Å; V74-I78 HydrophobicContact CG1-CG1 4.46Å; V74-I78 WeakPolarHBondContact O-CG1 3.33Å; V74-I78 PolarHBondContact O-N 2.88Å
75G96.4Very high95.8Very high16 Ų1678 Ų7817%0.16540%0.401CS..Hα-helixtrans-61.6-38.8177.700000113S72 F73 R79S72-G75 WeakPolarHBondContact O-CA 3.25Å; S72-G75 PolarHBondContact O-N 3.24Å; S72-G75 PolarHBondContact OG-N 3.26Å; F73-G75 VanDerWaalsContact C-N 3.33Å; F73-G75 PolarHBondContact O-N 3.15Å; G75-R79 PolarHBondContact O-N 3.49Å; G75-R79 PolarHBondContact O-NH1 2.94Å
76I97.2Very high95.8Very high0 Ų072 Ų720%038%0.377CS..Hα-helixtrans-64.3-50.1174-71173000110.1N71 S72 F73 V74 I78 R79 F80 R161 F163 L169N71-I76 HydrophobicContact CB-CD1 3.59Å; N71-I76 HydrophobicContact CB-CG1 4.2Å; S72-I76 PolarHBondContact O-N 3.11Å; F73-I76 PolarHBondContact O-N 3.41Å; V74-I76 VanDerWaalsContact C-N 3.32Å; V74-I76 PolarHBondContact O-N 2.98Å; I76-I78 VanDerWaalsContact C-N 3.29Å; I76-I78 PolarHBondContact O-N 3.01Å; I76-R79 PolarHBondContact O-N 3.48Å; I76-R79 VanDerWaalsContact O-N 3.1Å; I76-F80 VanDerWaalsContact O-CB 3.3Å; I76-F80 WeakPolarHBondContact O-CB 3.48Å; I76-F80 PolarHBondContact O-N 2.9Å; I76-R161 WeakPolarHBondContact CG1-O 3.49Å; I76-F163 WeakPolarHBondContact CD1-O 3.36Å; I76-L169 HydrophobicContact CG2-CB 3.9Å; I76-L169 HydrophobicContact CG2-CD1 4.08Å
77L97Very high95.9Very high45 Ų4570.2 Ų70.224%0.23636%0.36CS..Hα-helixtrans-60.2-37.2-179-69.4-178.8000113.1F73 V74 R81F73-L77 HydrophobicContact CD1-CD1 3.99Å; F73-L77 HydrophobicContact CE1-CD1 3.56Å; F73-L77 HydrophobicContact CE1-CG 4.22Å; F73-L77 HydrophobicContact CE2-CD2 4.33Å; F73-L77 HydrophobicContact CE2-CG 4.32Å; F73-L77 HydrophobicContact CZ-CD1 3.84Å; F73-L77 HydrophobicContact CZ-CD2 4.14Å; F73-L77 HydrophobicContact CZ-CG 4.11Å; F73-L77 WeakPolarHBondContact O-CG 3.27Å; F73-L77 PolarHBondContact O-N 3.44Å; V74-L77 PolarHBondContact O-N 3.37Å; L77-R81 WeakPolarHBondContact O-CB 3.49Å; L77-R81 WeakPolarHBondContact O-CG 3.35Å; L77-R81 PolarHBondContact O-N 2.74Å
78I97.4Very high95.9Very high117 Ų11768.6 Ų68.660%0.635%0.348SS*.Hα-helixtrans-64-45.6175.2-69.4169000110.7V74 I76 R81 R82V74-I78 HydrophobicContact CG1-CD1 3.9Å; V74-I78 HydrophobicContact CG1-CG1 4.46Å; V74-I78 WeakPolarHBondContact O-CG1 3.33Å; V74-I78 PolarHBondContact O-N 2.88Å; I76-I78 VanDerWaalsContact C-N 3.29Å; I76-I78 PolarHBondContact O-N 3.01Å; I78-R81 PolarHBondContact O-N 3.39Å; I78-R82 PolarHBondContact O-N 3.39Å
79R96.6Very high96Very high60 Ų6062.7 Ų62.723%0.22632%0.317CS..Hα-helixtrans-68-39.4177.3-72.5-174.2-65.4-81.55.4112.2G75 I76 R81 R82 R161 S171G75-R79 PolarHBondContact O-N 3.49Å; G75-R79 PolarHBondContact O-NH1 2.94Å; I76-R79 PolarHBondContact O-N 3.48Å; I76-R79 VanDerWaalsContact O-N 3.1Å; R79-R81 VanDerWaalsContact C-N 3.3Å; R79-R81 PolarHBondContact O-N 3.04Å; R79-R82 WeakPolarHBondContact O-CB 3.08Å; R79-R82 PolarHBondContact O-N 2.78Å; R79-R82 VanDerWaalsContact O-N 3.1Å; R79-R161 PolarHBondContact NH2-O 2.82Å; R79-S171 PolarHBondContact O-OG 3.48Å
80F96.6Very high95.9Very high41 Ų4163.2 Ų63.218%0.1832%0.32CS..Hα-helixtrans-61.2-39.5177.3-180-116.7000111.4I76 R82 P86 V88 L169 D170 S171I76-F80 VanDerWaalsContact O-CB 3.3Å; I76-F80 WeakPolarHBondContact O-CB 3.48Å; I76-F80 PolarHBondContact O-N 2.9Å; F80-R82 PolarHBondContact O-N 3.27Å; F80-P86 HydrophobicContact CE2-CB 3.53Å; F80-P86 HydrophobicContact CZ-CB 3.47Å; F80-P86 VanDerWaalsContact CZ-CB 3.47Å; F80-V88 HydrophobicContact CE2-CG2 3.82Å; F80-V88 HydrophobicContact CZ-CG2 3.64Å; F80-L169 HydrophobicContact CB-CB 4.47Å; F80-L169 HydrophobicContact CD2-CB 3.91Å; F80-L169 HydrophobicContact CE2-CB 4.34Å; F80-L169 HydrophobicContact CG-CB 4.18Å; F80-D170 VanDerWaalsContact CD2-N 3.3Å; F80-D170 WeakPolarHBondContact CD2-O 3.42Å; F80-D170 WeakPolarHBondContact CE2-O 3.26Å; F80-S171 WeakPolarHBondContact O-CB 3.33Å; F80-S171 PolarHBondContact O-OG 3.35Å
81R96.3Very high95.8Very high191 Ų19161 Ų6172%0.72131%0.306SS*.THydrogen-bonded Turntrans-78.91.2175.6-72.9-169.5171106.8-0.8115L77 I78 R79 Y83L77-R81 WeakPolarHBondContact O-CB 3.49Å; L77-R81 WeakPolarHBondContact O-CG 3.35Å; L77-R81 PolarHBondContact O-N 2.74Å; I78-R81 PolarHBondContact O-N 3.39Å; R79-R81 VanDerWaalsContact C-N 3.3Å; R79-R81 PolarHBondContact O-N 3.04Å; R81-Y83 VanDerWaalsContact C-N 3.34Å; R81-Y83 PolarHBondContact O-N 3.07Å
82R96.5Very high95.6Very high172 Ų17262.8 Ų62.865%0.64931%0.313SS*.THydrogen-bonded Turntrans-65.6-36.5-174.9-177.1175.7176.2-178-0.7113I78 R79 F80I78-R82 PolarHBondContact O-N 3.39Å; R79-R82 WeakPolarHBondContact O-CB 3.08Å; R79-R82 PolarHBondContact O-N 2.78Å; R79-R82 VanDerWaalsContact O-N 3.1Å; F80-R82 PolarHBondContact O-N 3.27Å
83Y97.5Very high95.2Very high75 Ų7563.3 Ų63.329%0.29431%0.307SS..SBendtrans-128.9163.1-175.7-54.5-75.8000111.7R81 S171 F172 E173R81-Y83 VanDerWaalsContact C-N 3.34Å; R81-Y83 PolarHBondContact O-N 3.07Å; Y83-S171 WeakPolarHBondContact CD2-O 3.33Å; Y83-S171 PolarHBondContact N-OG 2.97Å; Y83-F172 WeakPolarHBondContact CB-O 3.3Å; Y83-E173 HydrophobicContact CD1-CB 3.91Å; Y83-E173 HydrophobicContact CE1-CB 4.22Å
84S95.9Very high95Very high100 Ų10058.9 Ų58.970%0.69929%0.287SS*.SBendtrans-78.3-19.2-170.950.80000115P86S84-P86 WeakPolarHBondContact O-CD 3.45Å
85I97Very high94.8Very high19 Ų1956 Ų5610%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-106.297.9-176-55.9163.7000109S171 F172 E173 V175 A178 I201I85-S171 CarbonylContact O-C 3.44Å; I85-S171 WeakPolarHBondContact O-CA 3.1Å; I85-S171 WeakPolarHBondContact O-CB 3.38Å; I85-F172 VanDerWaalsContact CB-O 3.25Å; I85-F172 WeakPolarHBondContact CB-O 3.28Å; I85-F172 PolarHBondContact N-O 3.5Å; I85-F172 VanDerWaalsContact N-O 3.08Å; I85-F172 PolarHBondContact O-N 3.48Å; I85-E173 WeakPolarHBondContact CD1-O 3.48Å; I85-V175 HydrophobicContact CD1-CB 4.31Å; I85-V175 HydrophobicContact CD1-CG2 3.56Å; I85-V175 HydrophobicContact CG1-CG2 4.35Å; I85-A178 HydrophobicContact CG2-CB 3.92Å; I85-I201 HydrophobicContact CG2-CG2 3.59Å
86P95.8Very high94.4Very high24 Ų2456.4 Ų56.416%0.15627%0.265CS..EExtended strand (participates in β ladder)trans-76.3149.7178.531.9-37.7000112.4F80 S84 D170 I201 Q202F80-P86 HydrophobicContact CE2-CB 3.53Å; F80-P86 HydrophobicContact CZ-CB 3.47Å; F80-P86 VanDerWaalsContact CZ-CB 3.47Å; S84-P86 WeakPolarHBondContact O-CD 3.45Å; P86-D170 CarbonylContact C-O 3.54Å; P86-D170 WeakPolarHBondContact CA-O 3.27Å; P86-I201 WeakPolarHBondContact O-CA 3.38Å; P86-Q202 WeakPolarHBondContact CD-O 3.38Å; P86-Q202 HydrophobicContact CG-CB 3.84Å
87I95.6Very high94.1Very high0 Ų058.1 Ų58.10%027%0.273CS..EExtended strand (participates in β ladder)trans-122.6128.4161.4-62.7-164.7000108Y168 D170 F172 A178 A182 M199 V200 I201I87-Y168 HydrophobicContact CG2-CD1 4.26Å; I87-Y168 HydrophobicContact CG2-CE1 4.26Å; I87-D170 HydrophobicContact CB-CB 4.5Å; I87-D170 PolarHBondContact N-O 2.89Å; I87-D170 PolarHBondContact O-N 3.1Å; I87-F172 HydrophobicContact CB-CE2 4.35Å; I87-F172 HydrophobicContact CD1-CD2 3.91Å; I87-F172 HydrophobicContact CD1-CE2 3.54Å; I87-F172 HydrophobicContact CD1-CZ 4.44Å; I87-F172 HydrophobicContact CG1-CD2 3.95Å; I87-F172 HydrophobicContact CG1-CE2 3.83Å; I87-A178 HydrophobicContact CD1-CB 3.78Å; I87-A178 WeakPolarHBondContact CD1-O 3.45Å; I87-A178 HydrophobicContact CG1-CB 4.17Å; I87-A182 HydrophobicContact CD1-CB 4.02Å; I87-M199 HydrophobicContact CG2-CB 4.26Å; I87-M199 HydrophobicContact CG2-SD 4.07Å; I87-V200 WeakPolarHBondContact CA-O 3.28Å; I87-I201 HydrophobicContact CD1-CD1 4.45Å; I87-I201 HydrophobicContact CD1-CG1 4.37Å; I87-I201 HydrophobicContact CG1-CG1 4.22Å
88V95.6Very high94Very high54 Ų5456.6 Ų56.633%0.32727%0.266SS..EExtended strand (participates in β ladder)trans-128.8139.2171.1-172.20000109.5F80 Y168 M199 V200F80-V88 HydrophobicContact CE2-CG2 3.82Å; F80-V88 HydrophobicContact CZ-CG2 3.64Å; V88-Y168 WeakPolarHBondContact CA-O 3.09Å; V88-M199 WeakPolarHBondContact O-CA 3.26Å; V88-V200 PolarHBondContact N-O 3.43Å; V88-V200 PolarHBondContact O-N 3.05Å; V88-V200 VanDerWaalsContact O-N 3.13Å
89S95.2Very high93.8Very high4 Ų453.7 Ų53.73%0.02826%0.259CS..EExtended strand (participates in β ladder)trans-157.8168.8174.1-170.40000109.5N167 Y168 N197S89-N167 CarbonylContact O-C 3.55Å; S89-N167 WeakPolarHBondContact O-CA 3.3Å; S89-Y168 PolarHBondContact N-O 3.37Å; S89-Y168 PolarHBondContact O-N 2.81Å; S89-N197 PolarHBondContact OG-O 3.13Å
90D93.5Very high93.6Very high48 Ų4851.2 Ų51.226%0.25725%0.251SS..EExtended strand (participates in β ladder)trans-138.5156.5171.567.3-56.2000110.9E92 D166 L196 N197D90-E92 PolarHBondContact O-N 3.45Å; D90-D166 CarbonylContact C-O 3.52Å; D90-D166 WeakPolarHBondContact CA-O 3.28Å; D90-L196 WeakPolarHBondContact O-CA 3.49Å; D90-N197 PolarHBondContact O-N 3.43Å; D90-N197 WeakPolarHBondContact OD1-CB 3.4Å; D90-N197 PolarHBondContact OD1-ND2 2.95Å; D90-N197 PolarHBondContact OD2-ND2 2.92Å
91V91.6Very high93.4Very high1 Ų153.8 Ų53.81%0.00627%0.272CS..BIsolated β-bridgetrans-72.3112.5174.3-177.70000109.1Q93 M94 F163 D166 L194 L196V91-Q93 PolarHBondContact O-N 3Å; V91-Q93 VanDerWaalsContact O-N 3.16Å; V91-M94 HydrophobicContact CB-CB 4.04Å; V91-M94 HydrophobicContact CB-CG 4.25Å; V91-M94 HydrophobicContact CG1-CB 3.9Å; V91-M94 HydrophobicContact CG1-CG 4Å; V91-M94 PolarHBondContact O-N 3.47Å; V91-F163 HydrophobicContact CG2-CE1 3.98Å; V91-D166 HydrophobicContact CB-CB 4.36Å; V91-D166 PolarHBondContact N-O 3.31Å; V91-L194 HydrophobicContact CG1-CD2 4.18Å; V91-L196 HydrophobicContact CB-CD2 4.31Å; V91-L196 HydrophobicContact CG2-CD2 3.7Å
92E89.1Confident93Very high78 Ų7851.6 Ų51.636%0.36427%0.269SS..THydrogen-bonded Turntrans-55.5120.4-178-178-177.5-175.600110.1D90 M94 Q97 C195D90-E92 PolarHBondContact O-N 3.45Å; E92-M94 PolarHBondContact O-N 3.48Å; E92-M94 VanDerWaalsContact O-N 3.08Å; E92-Q97 PolarHBondContact O-NE2 2.94Å; E92-C195 HydrophobicContact CB-CB 4.43Å; E92-C195 PolarHBondContact N-O 3.41Å
93Q87Confident92.6Very high92 Ų9248 Ų4843%0.4328%0.277SS..THydrogen-bonded Turntrans47.743.4176.8-56.7-178.3-10.800113.5V91 F95 L96 Q97V91-Q93 PolarHBondContact O-N 3Å; V91-Q93 VanDerWaalsContact O-N 3.16Å; Q93-F95 PolarHBondContact O-N 2.9Å; Q93-L96 HydrophobicContact CB-CB 4.28Å; Q93-L96 HydrophobicContact CB-CD1 4.27Å; Q93-L96 HydrophobicContact CB-CG 4.48Å; Q93-L96 PolarHBondContact O-N 3.46Å; Q93-Q97 PolarHBondContact O-N 3.14Å
94M91.3Very high92.2Very high4 Ų445.8 Ų45.82%0.0228%0.276CS..Hα-helixtrans-40.7-44.6-169.8-174.1178.866.200114.7V91 E92 L96 Q97 V98 C139 V165 D166V91-M94 HydrophobicContact CB-CB 4.04Å; V91-M94 HydrophobicContact CB-CG 4.25Å; V91-M94 HydrophobicContact CG1-CB 3.9Å; V91-M94 HydrophobicContact CG1-CG 4Å; V91-M94 PolarHBondContact O-N 3.47Å; E92-M94 PolarHBondContact O-N 3.48Å; E92-M94 VanDerWaalsContact O-N 3.08Å; M94-L96 PolarHBondContact O-N 3.46Å; M94-Q97 PolarHBondContact O-N 3.42Å; M94-V98 PolarHBondContact O-N 3.42Å; M94-C139 HydrophobicContact CE-CB 3.42Å; M94-C139 VanDerWaalsContact CE-CB 3.42Å; M94-C139 HydrophobicContact CG-CB 4.04Å; M94-C139 HydrophobicContact SD-CB 3.89Å; M94-V165 HydrophobicContact CE-CG1 3.93Å; M94-D166 HydrophobicContact CB-CB 4.22Å; M94-D166 HydrophobicContact CE-CB 4.03Å; M94-D166 HydrophobicContact SD-CB 3.75Å
95F90.9Very high91.9Very high35 Ų3542.8 Ų42.815%0.15425%0.25CC..Hα-helixtrans-59.8-41.3179.2-59-74.2000113.1Q93 Q97 V98 Q128 F130 A135 C139Q93-F95 PolarHBondContact O-N 2.9Å; F95-Q97 VanDerWaalsContact C-N 3.26Å; F95-Q97 PolarHBondContact O-N 3.46Å; F95-V98 PolarHBondContact O-N 3.48Å; F95-Q128 CarbonylContact C-O 3.53Å; F95-Q128 HydrophobicContact CB-CB 4.19Å; F95-Q128 HydrophobicContact CD1-CB 4.42Å; F95-Q128 VanDerWaalsContact O-CB 3.26Å; F95-Q128 WeakPolarHBondContact O-CB 3.35Å; F95-Q128 PolarHBondContact O-N 3.32Å; F95-F130 HydrophobicContact CD2-CB 4.28Å; F95-F130 HydrophobicContact CD2-CD2 4.11Å; F95-F130 AromaticContact CE2-CD2 3.61Å; F95-F130 HydrophobicContact CE2-CD2 3.61Å; F95-F130 HydrophobicContact CE2-CE2 4.34Å; F95-F130 HydrophobicContact CZ-CD2 4.1Å; F95-A135 HydrophobicContact CD1-CB 3.77Å; F95-A135 HydrophobicContact CE1-CB 3.72Å; F95-C139 HydrophobicContact CD1-CB 4.49Å; F95-C139 WeakPolarHBondContact CD1-SG 3.19Å
96L89.2Confident91.4Very high25 Ų2544.6 Ų44.613%0.13126%0.264CS..Hα-helixtrans-72.7-20.9-179.7-62.3-178.3000112.8Y15 Q93 M94 R127Y15-L96 HydrophobicContact CD2-CB 4.23Å; Y15-L96 HydrophobicContact CD2-CD2 4.29Å; Y15-L96 HydrophobicContact CE2-CB 3.76Å; Y15-L96 HydrophobicContact CE2-CD1 4.3Å; Y15-L96 HydrophobicContact CE2-CG 4.45Å; Q93-L96 HydrophobicContact CB-CB 4.28Å; Q93-L96 HydrophobicContact CB-CD1 4.27Å; Q93-L96 HydrophobicContact CB-CG 4.48Å; Q93-L96 PolarHBondContact O-N 3.46Å; M94-L96 PolarHBondContact O-N 3.46Å; L96-R127 WeakPolarHBondContact O-CD 3.49Å; L96-R127 WeakPolarHBondContact O-CG 3.49Å
97Q91.4Very high91Very high36 Ų3645.3 Ų45.317%0.16827%0.266CS..Hα-helixtrans-81.1-17.9177.5-61-173-0.500112.8E92 Q93 M94 F95 R193 L194E92-Q97 PolarHBondContact O-NE2 2.94Å; Q93-Q97 PolarHBondContact O-N 3.14Å; M94-Q97 PolarHBondContact O-N 3.42Å; F95-Q97 VanDerWaalsContact C-N 3.26Å; F95-Q97 PolarHBondContact O-N 3.46Å; Q97-R193 PolarHBondContact OE1-O 3.49Å; Q97-L194 HydrophobicContact CB-CD2 4.17Å
98V93.3Very high90.8Very high12 Ų1245.5 Ų45.57%0.07327%0.267CS..SBendtrans-94.8116.9-177.8178.70000111M94 F95 R127 Q128 C139 A142M94-V98 PolarHBondContact O-N 3.42Å; F95-V98 PolarHBondContact O-N 3.48Å; V98-R127 CarbonylContact O-C 3.47Å; V98-R127 VanDerWaalsContact O-CA 3.27Å; V98-R127 WeakPolarHBondContact O-CA 3.49Å; V98-R127 WeakPolarHBondContact O-CD 3.22Å; V98-Q128 HydrophobicContact CB-CB 4.44Å; V98-Q128 HydrophobicContact CB-CG 4.05Å; V98-Q128 HydrophobicContact CG1-CG 3.84Å; V98-Q128 PolarHBondContact O-N 3.28Å; V98-C139 HydrophobicContact CG2-CB 4.14Å; V98-A142 HydrophobicContact CG1-CB 3.84Å; V98-A142 HydrophobicContact CG2-CB 3.93Å
99A93.4Very high90.6Very high56 Ų5643.9 Ų43.946%0.46326%0.256SS..BIsolated β-bridgetrans-71.9140.517600000112.2
100V92.9Very high90.4Very high8 Ų843.7 Ų43.75%0.04826%0.255CS..PPolyproline II helixtrans-93129.6173.8177.30000108R105 L108 N126 R127 Q128V100-R105 HydrophobicContact CB-CG 4.21Å; V100-R105 HydrophobicContact CG1-CG 3.99Å; V100-R105 PolarHBondContact O-NE 2.9Å; V100-R105 PolarHBondContact O-NH2 3.18Å; V100-L108 HydrophobicContact CB-CD1 4.04Å; V100-L108 HydrophobicContact CG1-CD1 3.91Å; V100-L108 HydrophobicContact CG2-CD1 3.69Å; V100-N126 PolarHBondContact N-O 2.87Å; V100-R127 VanDerWaalsContact CG2-C 3.5Å; V100-Q128 HydrophobicContact CG2-CG 3.9Å
101P91.8Very high90.1Very high95 Ų9545.2 Ų45.262%0.61726%0.263SS*.PPolyproline II helixtrans-54.8146.6173.2-24.834.2000111A103 G104 R105P101-A103 VanDerWaalsContact C-N 3.25Å; P101-A103 PolarHBondContact O-N 3.39Å; P101-G104 PolarHBondContact O-N 2.88Å; P101-R105 PolarHBondContact O-N 2.83Å
102E88.8Confident89.9Confident145 Ų14546.9 Ų46.968%0.67827%0.269SS*.G310 helixtrans-54.2-41-174.2-172.6160.2-15300113.2G104 R105E102-G104 PolarHBondContact O-N 3.23Å; E102-G104 VanDerWaalsContact O-N 3.14Å; E102-R105 PolarHBondContact O-N 3.01Å; E102-R105 VanDerWaalsContact O-N 3.13Å
103A88.3Confident89.7Confident98 Ų9845.9 Ų45.981%0.8127%0.268SS*.G310 helixtrans-60.1-22.517600000114.6P101P101-A103 VanDerWaalsContact C-N 3.25Å; P101-A103 PolarHBondContact O-N 3.39Å
104G88.2Confident89.2Confident27 Ų2744.2 Ų44.228%0.27827%0.266SS..G310 helixtrans-98.7-0.7179.200000114.6P101 E102 I107P101-G104 PolarHBondContact O-N 2.88Å; E102-G104 PolarHBondContact O-N 3.23Å; E102-G104 VanDerWaalsContact O-N 3.14Å; G104-I107 VanDerWaalsContact O-CG1 3.31Å; G104-I107 WeakPolarHBondContact O-CG1 3.4Å
105R89.3Confident88.6Confident37 Ų3745.9 Ų45.914%0.1428%0.278CS..G310 helixtrans-81.2-19.7-174.8-64.4179.6-172155.85.2113.8V100 P101 E102 I107 L108 Q124V100-R105 HydrophobicContact CB-CG 4.21Å; V100-R105 HydrophobicContact CG1-CG 3.99Å; V100-R105 PolarHBondContact O-NE 2.9Å; V100-R105 PolarHBondContact O-NH2 3.18Å; P101-R105 PolarHBondContact O-N 2.83Å; E102-R105 PolarHBondContact O-N 3.01Å; E102-R105 VanDerWaalsContact O-N 3.13Å; R105-I107 PolarHBondContact O-N 3.49Å; R105-I107 VanDerWaalsContact O-N 3.17Å; R105-L108 WeakPolarHBondContact O-CB 3.37Å; R105-L108 PolarHBondContact O-N 3.42Å; R105-Q124 HydrophobicContact CB-CG 4.18Å; R105-Q124 WeakPolarHBondContact O-CG 3.44Å; R105-Q124 PolarHBondContact O-NE2 3.36Å
106S86.8Confident88Confident57 Ų5752.6 Ų52.640%0.39932%0.316SS..G310 helixtrans-62.8-20.8-177.555.60000114.2H109S106-H109 PolarHBondContact O-CE1 3.16Å; S106-H109 PolarHBondContact O-ND1 2.85Å
107I88.6Confident87.4Confident40 Ų4059.3 Ų59.321%0.20535%0.347CS..G310 helixtrans-90.6-4.1175.560.8165.8000113.3Y30 L59 L63 G104 R105Y30-I107 HydrophobicContact CD2-CG2 4.32Å; L59-I107 HydrophobicContact CD1-CB 4Å; L59-I107 HydrophobicContact CD1-CD1 4.36Å; L59-I107 HydrophobicContact CD1-CG2 4.26Å; L59-I107 HydrophobicContact CD2-CB 4.43Å; L63-I107 HydrophobicContact CD1-CD1 4.31Å; L63-I107 HydrophobicContact CD2-CD1 3.66Å; G104-I107 VanDerWaalsContact O-CG1 3.31Å; G104-I107 WeakPolarHBondContact O-CG1 3.4Å; R105-I107 PolarHBondContact O-N 3.49Å; R105-I107 VanDerWaalsContact O-N 3.17Å
108L91.2Very high86.9Confident3 Ų360.8 Ų60.82%0.01637%0.372CS..  trans-104.128.6-175.3-53-176.9000112.3I32 V100 R105 K125 L132I32-L108 HydrophobicContact CD1-CD2 3.81Å; V100-L108 HydrophobicContact CB-CD1 4.04Å; V100-L108 HydrophobicContact CG1-CD1 3.91Å; V100-L108 HydrophobicContact CG2-CD1 3.69Å; R105-L108 WeakPolarHBondContact O-CB 3.37Å; R105-L108 PolarHBondContact O-N 3.42Å; L108-K125 HydrophobicContact CB-CB 4.11Å; L108-K125 PolarHBondContact O-N 2.9Å; L108-L132 HydrophobicContact CD2-CD1 3.69Å; L108-L132 HydrophobicContact CD2-CD2 4.35Å
109H91Very high86.5Confident20 Ų2064.3 Ų64.39%0.09340%0.402CS..EExtended strand (participates in β ladder)trans-75.8149.3171.4-62.3115.4000110.7T29 H31 I32 S106 T122 F123 Q124T29-H109 WeakPolarHBondContact CG2-ND1 3.25Å; H31-H109 CarbonylContact C-O 3.42Å; H31-H109 WeakPolarHBondContact CA-O 3.43Å; I32-H109 PolarHBondContact N-O 3.27Å; S106-H109 PolarHBondContact O-CE1 3.16Å; S106-H109 PolarHBondContact O-ND1 2.85Å; H109-T122 HydrophobicContact CB-CG2 4.12Å; H109-F123 CarbonylContact C-O 3.12Å; H109-F123 WeakPolarHBondContact CA-O 3.09Å; H109-Q124 PolarHBondContact NE2-NE2 3.2Å
110F90.1Very high86.1Confident0 Ų064.7 Ų64.70%040%0.4CS..EExtended strand (participates in β ladder)trans-148.9154.2169.166.4-80.4000109.9I5 F6 L11 L16 V34 F48 W112 F123 K125I5-F110 HydrophobicContact CD1-CE2 4.22Å; F6-F110 HydrophobicContact CE1-CZ 4.48Å; L11-F110 HydrophobicContact CD2-CZ 3.98Å; L16-F110 HydrophobicContact CD1-CZ 4.39Å; L16-F110 HydrophobicContact CD2-CE1 3.72Å; L16-F110 HydrophobicContact CD2-CZ 3.79Å; V34-F110 HydrophobicContact CG2-CB 3.54Å; V34-F110 HydrophobicContact CG2-CD2 3.85Å; V34-F110 HydrophobicContact CG2-CG 3.91Å; F48-F110 HydrophobicContact CE1-CB 4.37Å; F48-F110 AromaticContact CE1-CD1 3.86Å; F48-F110 HydrophobicContact CE1-CD1 3.86Å; F48-F110 HydrophobicContact CE1-CD2 4.32Å; F48-F110 HydrophobicContact CE1-CE1 4.19Å; F48-F110 AromaticContact CE1-CG 3.93Å; F48-F110 HydrophobicContact CE1-CG 3.93Å; F110-W112 HydrophobicContact CD2-CB 4.22Å; F110-W112 HydrophobicContact CE2-CB 3.99Å; F110-F123 HydrophobicContact CD1-CB 3.98Å; F110-F123 WeakPolarHBondContact CD1-O 3.48Å; F110-F123 HydrophobicContact CD2-CB 4.34Å; F110-F123 HydrophobicContact CE1-CB 3.43Å; F110-F123 VanDerWaalsContact CE1-CB 3.43Å; F110-F123 HydrophobicContact CE2-CB 3.85Å; F110-F123 HydrophobicContact CE2-CD2 4.17Å; F110-F123 HydrophobicContact CE2-CG 4.21Å; F110-F123 HydrophobicContact CG-CB 4.41Å; F110-F123 HydrophobicContact CZ-CB 3.37Å; F110-F123 HydrophobicContact CZ-CD2 4.41Å; F110-F123 AromaticContact CZ-CG 3.99Å; F110-F123 HydrophobicContact CZ-CG 3.99Å; F110-F123 PolarHBondContact N-O 3.29Å; F110-F123 PolarHBondContact O-N 3.37Å; F110-K125 HydrophobicContact CD1-CD 4.33Å; F110-K125 HydrophobicContact CD1-CG 3.95Å; F110-K125 HydrophobicContact CE1-CD 3.99Å; F110-K125 HydrophobicContact CE1-CG 3.52Å
111L88.6Confident85.8Confident81 Ų8169.7 Ų69.742%0.42443%0.426SS..EExtended strand (participates in β ladder)trans-94.4137.1176.2-67.3173.5000109.6P120 L121 T122L111-P120 HydrophobicContact CB-CB 4.13Å; L111-P120 HydrophobicContact CB-CG 4.4Å; L111-P120 HydrophobicContact CD1-CG 4.42Å; L111-P120 HydrophobicContact CD2-CG 4.46Å; L111-L121 WeakPolarHBondContact CA-O 3.28Å; L111-T122 VanDerWaalsContact CD2-OG1 3.28Å; L111-T122 WeakPolarHBondContact CD2-OG1 3.39Å
112W86.9Confident85.5Confident36 Ų3667.3 Ų67.314%0.13641%0.409CS..EExtended strand (participates in β ladder)trans-145.4142.2173.9-176.2-96.6000112.5W3 I5 F6 V34 V36 F110 L121 F123W3-W112 WeakPolarHBondContact O-CZ2 3.38Å; I5-W112 HydrophobicContact CB-CH2 4.34Å; I5-W112 HydrophobicContact CB-CZ2 4.02Å; I5-W112 HydrophobicContact CD1-CB 4.33Å; I5-W112 HydrophobicContact CD1-CD2 3.23Å; I5-W112 HydrophobicContact CD1-CE3 3.53Å; I5-W112 HydrophobicContact CD1-CG 3.57Å; I5-W112 HydrophobicContact CD1-CH2 4.34Å; I5-W112 HydrophobicContact CD1-CZ2 4.1Å; I5-W112 HydrophobicContact CD1-CZ3 4.07Å; I5-W112 HydrophobicContact CG1-CD2 3.71Å; I5-W112 HydrophobicContact CG1-CE3 4.28Å; I5-W112 HydrophobicContact CG1-CG 4.1Å; I5-W112 HydrophobicContact CG1-CH2 4.33Å; I5-W112 HydrophobicContact CG1-CZ2 3.76Å; I5-W112 HydrophobicContact CG2-CD2 4.46Å; I5-W112 HydrophobicContact CG2-CE3 4.41Å; I5-W112 HydrophobicContact CG2-CH2 3.24Å; I5-W112 HydrophobicContact CG2-CZ2 3.28Å; I5-W112 HydrophobicContact CG2-CZ3 3.84Å; F6-W112 AromaticContact CE2-CD1 3.56Å; F6-W112 HydrophobicContact CE2-CG 4.46Å; F6-W112 HydrophobicContact CZ-CB 4.38Å; F6-W112 AromaticContact CZ-CD1 3.57Å; F6-W112 HydrophobicContact CZ-CG 4.06Å; V34-W112 HydrophobicContact CG1-CE3 4.41Å; V34-W112 HydrophobicContact CG1-CZ3 4.44Å; V36-W112 HydrophobicContact CG2-CH2 3.69Å; V36-W112 HydrophobicContact CG2-CZ3 3.8Å; F110-W112 HydrophobicContact CD2-CB 4.22Å; F110-W112 HydrophobicContact CE2-CB 3.99Å; W112-L121 PolarHBondContact N-O 3.3Å; W112-L121 PolarHBondContact O-N 3.05Å; W112-F123 HydrophobicContact CB-CD2 3.77Å; W112-F123 HydrophobicContact CB-CE2 3.71Å; W112-F123 HydrophobicContact CG-CE2 4.47Å
113T83.9Confident85.4Confident57 Ų5761.3 Ų61.335%0.3538%0.381SS..  trans-135.1147169.6-178.20000110.6S115T113-S115 VanDerWaalsContact CG2-O 3.24Å; T113-S115 WeakPolarHBondContact CG2-O 3.44Å; T113-S115 PolarHBondContact OG1-N 2.95Å; T113-S115 VanDerWaalsContact OG1-N 3.13Å; T113-S115 PolarHBondContact OG1-O 3.21Å
114S78.1Confident85.5Confident56 Ų5658.3 Ų58.339%0.39235%0.35SS..SBendtrans-98.30.5172.868.30000112.9R2R2-S114 WeakPolarHBondContact CG-O 3.46Å; R2-S114 PolarHBondContact NE-O 3.34Å
115S78.2Confident85.6Confident39 Ų3957.2 Ų57.227%0.27334%0.338SS..SBendtrans-135.2146.4178.245.30000110.4T113 E117T113-S115 VanDerWaalsContact CG2-O 3.24Å; T113-S115 WeakPolarHBondContact CG2-O 3.44Å; T113-S115 PolarHBondContact OG1-N 2.95Å; T113-S115 VanDerWaalsContact OG1-N 3.13Å; T113-S115 PolarHBondContact OG1-O 3.21Å; S115-E117 WeakPolarHBondContact CB-O 3.27Å; S115-E117 PolarHBondContact O-N 2.94Å; S115-E117 PolarHBondContact OG-O 2.94Å
116D77.3Confident85.7Confident177 Ų17756.1 Ų56.195%0.94733%0.334SS*.SBendtrans-70.1-16170.2-54.9-39.6000111.1
117E78.2Confident86Confident166 Ų16655.7 Ų55.778%0.77632%0.324SS*.SBendtrans-98.2133.5173.9-59.9-170.7176.200111.1S115S115-E117 WeakPolarHBondContact CB-O 3.27Å; S115-E117 PolarHBondContact O-N 2.94Å; S115-E117 PolarHBondContact OG-O 2.94Å
118G80.7Confident86.2Confident67 Ų6754.5 Ų54.569%0.69132%0.318SS*.SBendtrans100.4161.2178.900000114.1
119A84.1Confident86.2Confident85 Ų8554.4 Ų54.470%0.70232%0.317SS*.PPolyproline II helixtrans-72.3141.9175.600000110.4
120P86Confident86Confident65 Ų6560.3 Ų60.342%0.42234%0.343SS..PPolyproline II helixtrans-64.7146.7173.929.1-34.6000111.1L111L111-P120 HydrophobicContact CB-CB 4.13Å; L111-P120 HydrophobicContact CB-CG 4.4Å; L111-P120 HydrophobicContact CD1-CG 4.42Å; L111-P120 HydrophobicContact CD2-CG 4.46Å
121L85.3Confident85.9Confident113 Ų11361.7 Ų61.759%0.59236%0.357SS*.EExtended strand (participates in β ladder)trans-89.1146.5175.2-63.4175000110.1L111 W112 F123L111-L121 WeakPolarHBondContact CA-O 3.28Å; W112-L121 PolarHBondContact N-O 3.3Å; W112-L121 PolarHBondContact O-N 3.05Å; L121-F123 HydrophobicContact CB-CD2 4.38Å; L121-F123 HydrophobicContact CB-CE2 3.63Å; L121-F123 HydrophobicContact CB-CZ 4.05Å; L121-F123 HydrophobicContact CD1-CZ 4.28Å; L121-F123 WeakPolarHBondContact O-CD2 3.4Å
122T86.5Confident86.1Confident44 Ų4458.2 Ų58.227%0.2734%0.339SS..EExtended strand (participates in β ladder)trans-86.7128.7172.2-56.90000110.7H109 L111H109-T122 HydrophobicContact CB-CG2 4.12Å; L111-T122 VanDerWaalsContact CD2-OG1 3.28Å; L111-T122 WeakPolarHBondContact CD2-OG1 3.39Å
123F87.2Confident86.5Confident19 Ų1959.3 Ų59.38%0.08335%0.35CS..EExtended strand (participates in β ladder)trans-118.8144.8174.2-65.8-89.9000109.6F6 L16 T18 H109 F110 W112 L121F6-F123 HydrophobicContact CE1-CD1 4.33Å; F6-F123 HydrophobicContact CE1-CE1 4.25Å; F6-F123 HydrophobicContact CE1-CZ 4.49Å; F6-F123 HydrophobicContact CE2-CE1 4.04Å; F6-F123 HydrophobicContact CE2-CE2 4.29Å; F6-F123 AromaticContact CE2-CZ 3.73Å; F6-F123 HydrophobicContact CE2-CZ 3.73Å; F6-F123 AromaticContact CZ-CD1 3.99Å; F6-F123 HydrophobicContact CZ-CD1 3.99Å; F6-F123 HydrophobicContact CZ-CD2 4.13Å; F6-F123 AromaticContact CZ-CE1 3.57Å; F6-F123 HydrophobicContact CZ-CE1 3.57Å; F6-F123 AromaticContact CZ-CE2 3.73Å; F6-F123 HydrophobicContact CZ-CE2 3.73Å; F6-F123 HydrophobicContact CZ-CG 4.25Å; F6-F123 AromaticContact CZ-CZ 3.43Å; F6-F123 HydrophobicContact CZ-CZ 3.43Å; F6-F123 VanDerWaalsContact CZ-CZ 3.43Å; L16-F123 HydrophobicContact CD1-CD1 4.48Å; T18-F123 HydrophobicContact CG2-CD1 4.3Å; T18-F123 HydrophobicContact CG2-CE1 3.97Å; H109-F123 CarbonylContact C-O 3.12Å; H109-F123 WeakPolarHBondContact CA-O 3.09Å; F110-F123 HydrophobicContact CD1-CB 3.98Å; F110-F123 WeakPolarHBondContact CD1-O 3.48Å; F110-F123 HydrophobicContact CD2-CB 4.34Å; F110-F123 HydrophobicContact CE1-CB 3.43Å; F110-F123 VanDerWaalsContact CE1-CB 3.43Å; F110-F123 HydrophobicContact CE2-CB 3.85Å; F110-F123 HydrophobicContact CE2-CD2 4.17Å; F110-F123 HydrophobicContact CE2-CG 4.21Å; F110-F123 HydrophobicContact CG-CB 4.41Å; F110-F123 HydrophobicContact CZ-CB 3.37Å; F110-F123 HydrophobicContact CZ-CD2 4.41Å; F110-F123 AromaticContact CZ-CG 3.99Å; F110-F123 HydrophobicContact CZ-CG 3.99Å; F110-F123 PolarHBondContact N-O 3.29Å; F110-F123 PolarHBondContact O-N 3.37Å; W112-F123 HydrophobicContact CB-CD2 3.77Å; W112-F123 HydrophobicContact CB-CE2 3.71Å; W112-F123 HydrophobicContact CG-CE2 4.47Å; L121-F123 HydrophobicContact CB-CD2 4.38Å; L121-F123 HydrophobicContact CB-CE2 3.63Å; L121-F123 HydrophobicContact CB-CZ 4.05Å; L121-F123 HydrophobicContact CD1-CZ 4.28Å; L121-F123 WeakPolarHBondContact O-CD2 3.4Å
124Q89.3Confident87Confident36 Ų3657.6 Ų57.617%0.16834%0.34CS..EExtended strand (participates in β ladder)trans-112131.3172.9-169.3-175.373.300110L16 R17 R105 H109L16-Q124 CarbonylContact C-O 3.01Å; L16-Q124 WeakPolarHBondContact CA-O 3.46Å; R17-Q124 PolarHBondContact N-O 3.11Å; R17-Q124 PolarHBondContact O-N 3.5Å; R105-Q124 HydrophobicContact CB-CG 4.18Å; R105-Q124 WeakPolarHBondContact O-CG 3.44Å; R105-Q124 PolarHBondContact O-NE2 3.36Å; H109-Q124 PolarHBondContact NE2-NE2 3.2Å
125K90.6Very high87.7Confident4 Ų455 Ų552%0.01732%0.322CS..EExtended strand (participates in β ladder)trans-84.8144.7170.5-62.1-163.853.9162.70111.9L11 L16 F48 L108 F110 V129L11-K125 HydrophobicContact CD1-CD 4.48Å; L16-K125 HydrophobicContact CD2-CD 4.37Å; L16-K125 HydrophobicContact CD2-CG 3.73Å; F48-K125 HydrophobicContact CD1-CD 4.28Å; F48-K125 HydrophobicContact CE1-CD 3.56Å; F48-K125 HydrophobicContact CE2-CD 4.12Å; F48-K125 VanDerWaalsContact CE2-NZ 3.32Å; F48-K125 HydrophobicContact CZ-CD 3.47Å; F48-K125 VanDerWaalsContact CZ-CD 3.47Å; L108-K125 HydrophobicContact CB-CB 4.11Å; L108-K125 PolarHBondContact O-N 2.9Å; F110-K125 HydrophobicContact CD1-CD 4.33Å; F110-K125 HydrophobicContact CD1-CG 3.95Å; F110-K125 HydrophobicContact CE1-CD 3.99Å; F110-K125 HydrophobicContact CE1-CG 3.52Å; K125-V129 HydrophobicContact CD-CG1 3.51Å
126N91.5Very high88.4Confident13 Ų1355.6 Ų55.67%0.0733%0.325CS..  trans-112.34.6176.267.925.7000113.2S14 Y15 V100S14-N126 PolarHBondContact O-ND2 3.12Å; Y15-N126 VanDerWaalsContact CA-OD1 3.26Å; Y15-N126 WeakPolarHBondContact CA-OD1 3.22Å; Y15-N126 VanDerWaalsContact O-CG 3.27Å; Y15-N126 PolarHBondContact O-N 2.74Å; Y15-N126 PolarHBondContact O-OD1 3.3Å; Y15-N126 VanDerWaalsContact O-OD1 3.08Å; V100-N126 PolarHBondContact N-O 2.87Å
127R93Very high89.2Confident49 Ų4947.6 Ų47.619%0.18528%0.284CS..BIsolated β-bridgetrans-121.7157.9176.3-60.9-59.5-175.2-90.2-2.6110.4Y15 L96 V98 V100Y15-R127 HydrophobicContact CD1-CG 3.76Å; Y15-R127 HydrophobicContact CD2-CG 4.3Å; Y15-R127 HydrophobicContact CE1-CG 4.29Å; Y15-R127 HydrophobicContact CG-CG 3.77Å; L96-R127 WeakPolarHBondContact O-CD 3.49Å; L96-R127 WeakPolarHBondContact O-CG 3.49Å; V98-R127 CarbonylContact O-C 3.47Å; V98-R127 VanDerWaalsContact O-CA 3.27Å; V98-R127 WeakPolarHBondContact O-CA 3.49Å; V98-R127 WeakPolarHBondContact O-CD 3.22Å; V100-R127 VanDerWaalsContact CG2-C 3.5Å
128Q93.2Very high90Very high15 Ų1541.7 Ų41.77%0.0726%0.26CS..  trans-58.8152.1174.1-70.8-73.4-7.200110.2F95 V98 V100 S138F95-Q128 CarbonylContact C-O 3.53Å; F95-Q128 HydrophobicContact CB-CB 4.19Å; F95-Q128 HydrophobicContact CD1-CB 4.42Å; F95-Q128 VanDerWaalsContact O-CB 3.26Å; F95-Q128 WeakPolarHBondContact O-CB 3.35Å; F95-Q128 PolarHBondContact O-N 3.32Å; V98-Q128 HydrophobicContact CB-CB 4.44Å; V98-Q128 HydrophobicContact CB-CG 4.05Å; V98-Q128 HydrophobicContact CG1-CG 3.84Å; V98-Q128 PolarHBondContact O-N 3.28Å; V100-Q128 HydrophobicContact CG2-CG 3.9Å; Q128-S138 VanDerWaalsContact NE2-CB 3.32Å
129V90Very high90.7Very high1 Ų138.5 Ų38.51%0.00623%0.227CC..  trans-123.5144.8175.5-56.80000111.1I32 F48 K125 L132 A135I32-V129 HydrophobicContact CD1-CG2 4.02Å; F48-V129 HydrophobicContact CB-CB 4.16Å; F48-V129 HydrophobicContact CB-CG2 4.04Å; F48-V129 HydrophobicContact CD2-CB 4.26Å; F48-V129 HydrophobicContact CD2-CG1 4.26Å; F48-V129 HydrophobicContact CG-CB 4.18Å; F48-V129 HydrophobicContact CG-CG1 4.24Å; F48-V129 HydrophobicContact CG-CG2 4.42Å; K125-V129 HydrophobicContact CD-CG1 3.51Å; V129-L132 HydrophobicContact CG2-CD1 3.69Å; V129-L132 HydrophobicContact CG2-CD2 4.21Å; V129-L132 HydrophobicContact CG2-CG 3.58Å; V129-A135 WeakPolarHBondContact O-CB 3.38Å
130F86.9Confident91.2Very high144 Ų14435.1 Ų35.163%0.63220%0.197SC*.THydrogen-bonded Turntrans-63.1137.1165.7-171.2-98.4000109.4F95F95-F130 HydrophobicContact CD2-CB 4.28Å; F95-F130 HydrophobicContact CD2-CD2 4.11Å; F95-F130 AromaticContact CE2-CD2 3.61Å; F95-F130 HydrophobicContact CE2-CD2 3.61Å; F95-F130 HydrophobicContact CE2-CE2 4.34Å; F95-F130 HydrophobicContact CZ-CD2 4.1Å
131G88.7Confident91.7Very high29 Ų2939.2 Ų39.230%0.29921%0.205SC..THydrogen-bonded Turntrans109.9-18.4-178.900000114.4N60N60-G131 PolarHBondContact ND2-O 2.77Å; N60-G131 PolarHBondContact OD1-O 3.07Å
132L93.5Very high92.1Very high8 Ų835.4 Ų35.44%0.04219%0.191CC..  trans-77.7132.6171.9-57.2171.6000110.8I32 A50 L59 N60 L63 L108 V129 S134 A135 P136I32-L132 HydrophobicContact CD1-CD2 4.12Å; A50-L132 HydrophobicContact CB-CD2 3.65Å; L59-L132 HydrophobicContact CD2-CD2 3.74Å; L59-L132 HydrophobicContact CG-CD2 4.47Å; N60-L132 WeakPolarHBondContact OD1-CA 3.27Å; L63-L132 HydrophobicContact CD1-CB 4.3Å; L63-L132 HydrophobicContact CD1-CD2 3.74Å; L108-L132 HydrophobicContact CD2-CD1 3.69Å; L108-L132 HydrophobicContact CD2-CD2 4.35Å; V129-L132 HydrophobicContact CG2-CD1 3.69Å; V129-L132 HydrophobicContact CG2-CD2 4.21Å; V129-L132 HydrophobicContact CG2-CG 3.58Å; L132-S134 PolarHBondContact O-N 3.01Å; L132-A135 HydrophobicContact CB-CB 3.83Å; L132-A135 PolarHBondContact O-N 3.22Å; L132-A135 VanDerWaalsContact O-N 3.16Å; L132-P136 WeakPolarHBondContact O-CD 3.34Å
133T94.1Very high92.5Very high58 Ų5833.6 Ų33.636%0.35618%0.179SC..THydrogen-bonded Turntrans-61.3-28.7176.2-64.10000112.2N60 K65N60-T133 WeakPolarHBondContact CB-OG1 3.4Å; N60-T133 PolarHBondContact ND2-OG1 3.28Å; N60-T133 PolarHBondContact OD1-N 2.63Å; N60-T133 PolarHBondContact OD1-OG1 3.29Å; K65-T133 HydrophobicContact CB-CG2 3.73Å; K65-T133 HydrophobicContact CG-CG2 3.92Å
134S93.9Very high92.9Very high22 Ų2236.3 Ų36.315%0.15419%0.191CC..THydrogen-bonded Turntrans-87.7-13.8178.962.10000114.9T64 L132 A137 S138T64-S134 WeakPolarHBondContact O-CB 3.29Å; L132-S134 PolarHBondContact O-N 3.01Å; S134-A137 PolarHBondContact O-N 3.16Å; S134-S138 PolarHBondContact O-N 2.9Å; S134-S138 VanDerWaalsContact O-N 3.11Å; S134-S138 PolarHBondContact O-OG 2.94Å
135A93.9Very high93.1Very high0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-63.2-42.3-173.400000113.3F95 V129 L132 A137 S138 C139F95-A135 HydrophobicContact CD1-CB 3.77Å; F95-A135 HydrophobicContact CE1-CB 3.72Å; V129-A135 WeakPolarHBondContact O-CB 3.38Å; L132-A135 HydrophobicContact CB-CB 3.83Å; L132-A135 PolarHBondContact O-N 3.22Å; L132-A135 VanDerWaalsContact O-N 3.16Å; A135-A137 PolarHBondContact O-N 2.9Å; A135-S138 PolarHBondContact O-N 3.04Å; A135-C139 WeakPolarHBondContact O-CB 3.49Å; A135-C139 PolarHBondContact O-N 2.86Å; A135-C139 PolarHBondContact O-SG 2.88Å; A135-C139 VanDerWaalsContact O-SG 3.4Å
136P93.2Very high93.2Very high52 Ų5237 Ų3734%0.33820%0.201SC..Hα-helixtrans-58.2-47.8178.7-26.735.8000112.9L132 S138 C139 M140L132-P136 WeakPolarHBondContact O-CD 3.34Å; P136-S138 PolarHBondContact O-N 3.11Å; P136-C139 PolarHBondContact O-N 3.27Å; P136-M140 HydrophobicContact CB-CE 4.45Å; P136-M140 WeakPolarHBondContact O-CB 3.43Å; P136-M140 WeakPolarHBondContact O-CE 3.26Å; P136-M140 VanDerWaalsContact O-CG 3.28Å; P136-M140 WeakPolarHBondContact O-CG 3.49Å; P136-M140 PolarHBondContact O-N 3.27Å
137A94.5Very high93.4Very high10 Ų1036.7 Ų36.78%0.08320%0.199CC..Hα-helixtrans-63.2-42.9178.500000111.5K65 S134 A135 C139 M140 Y141K65-A137 VanDerWaalsContact O-CB 3.27Å; K65-A137 WeakPolarHBondContact O-CB 3.46Å; S134-A137 PolarHBondContact O-N 3.16Å; A135-A137 PolarHBondContact O-N 2.9Å; A137-C139 PolarHBondContact O-N 3.31Å; A137-M140 PolarHBondContact O-N 2.86Å; A137-Y141 WeakPolarHBondContact O-CB 3.47Å; A137-Y141 PolarHBondContact O-N 2.81Å
138S94.7Very high93.4Very high41 Ų4140.8 Ų40.829%0.28722%0.22SC..Hα-helixtrans-61.9-44.9178.7-56.40000112.2Q128 S134 A135 P136 Y141 A142Q128-S138 VanDerWaalsContact NE2-CB 3.32Å; S134-S138 PolarHBondContact O-N 2.9Å; S134-S138 VanDerWaalsContact O-N 3.11Å; S134-S138 PolarHBondContact O-OG 2.94Å; A135-S138 PolarHBondContact O-N 3.04Å; P136-S138 PolarHBondContact O-N 3.11Å; S138-Y141 PolarHBondContact O-N 2.93Å; S138-A142 PolarHBondContact O-N 3.39Å
139C95.3Very high93.3Very high0 Ų043.8 Ų43.80%024%0.239CC..Hα-helixtrans-70.5-40.7179.6-700000112.5M94 F95 V98 A135 P136 A137 Y141 A142 L143M94-C139 HydrophobicContact CE-CB 3.42Å; M94-C139 VanDerWaalsContact CE-CB 3.42Å; M94-C139 HydrophobicContact CG-CB 4.04Å; M94-C139 HydrophobicContact SD-CB 3.89Å; F95-C139 HydrophobicContact CD1-CB 4.49Å; F95-C139 WeakPolarHBondContact CD1-SG 3.19Å; V98-C139 HydrophobicContact CG2-CB 4.14Å; A135-C139 WeakPolarHBondContact O-CB 3.49Å; A135-C139 PolarHBondContact O-N 2.86Å; A135-C139 PolarHBondContact O-SG 2.88Å; A135-C139 VanDerWaalsContact O-SG 3.4Å; P136-C139 PolarHBondContact O-N 3.27Å; A137-C139 PolarHBondContact O-N 3.31Å; C139-Y141 VanDerWaalsContact C-N 3.31Å; C139-Y141 PolarHBondContact O-N 3.3Å; C139-A142 PolarHBondContact O-N 2.93Å; C139-L143 WeakPolarHBondContact O-CB 3.43Å; C139-L143 PolarHBondContact O-N 3.27Å
140M94.5Very high93.4Very high15 Ų1544.4 Ų44.47%0.07424%0.242CC..Hα-helixtrans-63-39.1174.2-73.9-172.8-6700111.8L69 T70 P136 A137 L143 K144 V165L69-M140 HydrophobicContact CB-CB 4.05Å; L69-M140 HydrophobicContact CB-CE 4.14Å; L69-M140 HydrophobicContact CB-SD 4.31Å; L69-M140 HydrophobicContact CD1-CB 4.26Å; T70-M140 HydrophobicContact CG2-CE 4.09Å; T70-M140 HydrophobicContact CG2-SD 3.52Å; T70-M140 VanDerWaalsContact CG2-SD 3.52Å; P136-M140 HydrophobicContact CB-CE 4.45Å; P136-M140 WeakPolarHBondContact O-CB 3.43Å; P136-M140 WeakPolarHBondContact O-CE 3.26Å; P136-M140 VanDerWaalsContact O-CG 3.28Å; P136-M140 WeakPolarHBondContact O-CG 3.49Å; P136-M140 PolarHBondContact O-N 3.27Å; A137-M140 PolarHBondContact O-N 2.86Å; M140-L143 PolarHBondContact O-N 3.43Å; M140-K144 WeakPolarHBondContact O-CG 3.18Å; M140-K144 PolarHBondContact O-N 2.84Å; M140-V165 HydrophobicContact CG-CG1 4.27Å; M140-V165 HydrophobicContact SD-CB 4.41Å; M140-V165 HydrophobicContact SD-CG1 4.37Å; M140-V165 HydrophobicContact SD-CG2 4.1Å
141Y95.3Very high93.6Very high150 Ų15041.6 Ų41.659%0.58824%0.241SC*.Hα-helixtrans-61.2-48.8174.8-178-99.2000111.1L69 A137 S138 C139 L143 K144 C145L69-Y141 HydrophobicContact CD1-CD2 4.35Å; A137-Y141 WeakPolarHBondContact O-CB 3.47Å; A137-Y141 PolarHBondContact O-N 2.81Å; S138-Y141 PolarHBondContact O-N 2.93Å; C139-Y141 VanDerWaalsContact C-N 3.31Å; C139-Y141 PolarHBondContact O-N 3.3Å; Y141-L143 VanDerWaalsContact C-N 3.33Å; Y141-L143 PolarHBondContact O-N 3.29Å; Y141-K144 PolarHBondContact O-N 3.29Å; Y141-C145 VanDerWaalsContact CE1-SG 3.59Å; Y141-C145 PolarHBondContact O-N 3.48Å; Y141-C145 PolarHBondContact O-SG 2.58Å; Y141-C145 VanDerWaalsContact O-SG 3.37Å
142A94.8Very high93.8Very high34 Ų3443 Ų4328%0.28125%0.245SC..Hα-helixtrans-58.9-42.8176.400000112.4V98 S138 C139 C145 A146V98-A142 HydrophobicContact CG1-CB 3.84Å; V98-A142 HydrophobicContact CG2-CB 3.93Å; S138-A142 PolarHBondContact O-N 3.39Å; C139-A142 PolarHBondContact O-N 2.93Å; A142-C145 PolarHBondContact O-N 3.02Å; A142-A146 WeakPolarHBondContact O-CB 3.13Å; A142-A146 PolarHBondContact O-N 3.4Å
143L94.9Very high93.9Very high6 Ų646.4 Ų46.43%0.03127%0.274CS..Hα-helixtrans-61.2-45.7175.2176.561000111.4C139 M140 Y141 A146 I147 F163 V165 L189 L194C139-L143 WeakPolarHBondContact O-CB 3.43Å; C139-L143 PolarHBondContact O-N 3.27Å; M140-L143 PolarHBondContact O-N 3.43Å; Y141-L143 VanDerWaalsContact C-N 3.33Å; Y141-L143 PolarHBondContact O-N 3.29Å; L143-A146 WeakPolarHBondContact O-CB 3.35Å; L143-A146 PolarHBondContact O-N 2.95Å; L143-I147 HydrophobicContact CD1-CD1 3.91Å; L143-I147 HydrophobicContact CD1-CG1 4.18Å; L143-I147 HydrophobicContact CG-CD1 3.78Å; L143-I147 HydrophobicContact CG-CG1 4.46Å; L143-I147 WeakPolarHBondContact O-CB 3.5Å; L143-I147 VanDerWaalsContact O-CG1 3.22Å; L143-I147 WeakPolarHBondContact O-CG1 3.45Å; L143-I147 PolarHBondContact O-N 3.44Å; L143-F163 HydrophobicContact CD1-CE2 4.49Å; L143-F163 HydrophobicContact CD2-CB 4.38Å; L143-F163 HydrophobicContact CD2-CD1 3.97Å; L143-F163 HydrophobicContact CD2-CD2 4.4Å; L143-F163 HydrophobicContact CD2-CE1 4.34Å; L143-F163 HydrophobicContact CD2-CG 4.01Å; L143-V165 WeakPolarHBondContact CD2-O 3.19Å; L143-L189 HydrophobicContact CD1-CD2 4.3Å; L143-L194 HydrophobicContact CD1-CD1 3.76Å
144K94.2Very high93.9Very high76 Ų7647.3 Ų47.333%0.3327%0.274SS..Hα-helixtrans-60.9-45.9177.1-76-172.4178.2-169.30112.2L69 M140 Y141 A146 I147 E148L69-K144 WeakPolarHBondContact O-CE 3.32Å; L69-K144 PolarHBondContact O-NZ 3Å; M140-K144 WeakPolarHBondContact O-CG 3.18Å; M140-K144 PolarHBondContact O-N 2.84Å; Y141-K144 PolarHBondContact O-N 3.29Å; K144-A146 VanDerWaalsContact C-N 3.31Å; K144-A146 PolarHBondContact O-N 3.05Å; K144-I147 WeakPolarHBondContact O-CB 3.46Å; K144-I147 PolarHBondContact O-N 3.46Å; K144-I147 VanDerWaalsContact O-N 3.14Å; K144-E148 WeakPolarHBondContact O-CG 3.47Å; K144-E148 PolarHBondContact O-N 3.4Å
145C94.3Very high93.9Very high43 Ų4346.3 Ų46.329%0.29127%0.267SS..Hα-helixtrans-60.5-41175.3-66.40000111.9Y141 A142 I147 E148Y141-C145 VanDerWaalsContact CE1-SG 3.59Å; Y141-C145 PolarHBondContact O-N 3.48Å; Y141-C145 PolarHBondContact O-SG 2.58Å; Y141-C145 VanDerWaalsContact O-SG 3.37Å; A142-C145 PolarHBondContact O-N 3.02Å; C145-I147 VanDerWaalsContact C-N 3.33Å; C145-I147 PolarHBondContact O-N 3.12Å; C145-E148 PolarHBondContact O-N 2.79Å
146A93.8Very high94Very high12 Ų1247.1 Ų47.110%0.09927%0.272CS..Hα-helixtrans-61.8-44.4174.900000111.1A142 L143 K144 E148 T149 L150 R192 L194A142-A146 WeakPolarHBondContact O-CB 3.13Å; A142-A146 PolarHBondContact O-N 3.4Å; L143-A146 WeakPolarHBondContact O-CB 3.35Å; L143-A146 PolarHBondContact O-N 2.95Å; K144-A146 VanDerWaalsContact C-N 3.31Å; K144-A146 PolarHBondContact O-N 3.05Å; A146-E148 PolarHBondContact O-N 2.91Å; A146-T149 PolarHBondContact O-N 3.2Å; A146-T149 PolarHBondContact O-OG1 2.86Å; A146-L150 WeakPolarHBondContact O-CG 3.23Å; A146-R192 HydrophobicContact CB-CB 4.07Å; A146-R192 HydrophobicContact CB-CG 4.22Å; A146-L194 HydrophobicContact CB-CD1 3.53Å
147I94.1Very high94.1Very high5 Ų547 Ų473%0.02628%0.275CS..Hα-helixtrans-59-43.4179.1-71.5165.9000112.1L143 K144 C145 T149 L150 T156 C159 Q160 F163L143-I147 HydrophobicContact CD1-CD1 3.91Å; L143-I147 HydrophobicContact CD1-CG1 4.18Å; L143-I147 HydrophobicContact CG-CD1 3.78Å; L143-I147 HydrophobicContact CG-CG1 4.46Å; L143-I147 WeakPolarHBondContact O-CB 3.5Å; L143-I147 VanDerWaalsContact O-CG1 3.22Å; L143-I147 WeakPolarHBondContact O-CG1 3.45Å; L143-I147 PolarHBondContact O-N 3.44Å; K144-I147 WeakPolarHBondContact O-CB 3.46Å; K144-I147 PolarHBondContact O-N 3.46Å; K144-I147 VanDerWaalsContact O-N 3.14Å; C145-I147 VanDerWaalsContact C-N 3.33Å; C145-I147 PolarHBondContact O-N 3.12Å; I147-T149 PolarHBondContact O-N 3.08Å; I147-T149 VanDerWaalsContact O-N 3.11Å; I147-L150 HydrophobicContact CB-CD1 4.24Å; I147-L150 HydrophobicContact CG1-CD1 4.06Å; I147-L150 HydrophobicContact CG2-CD1 4.38Å; I147-L150 WeakPolarHBondContact O-CB 3.47Å; I147-L150 WeakPolarHBondContact O-CG 3.31Å; I147-L150 PolarHBondContact O-N 3.45Å; I147-T156 HydrophobicContact CG2-CG2 4.26Å; I147-T156 VanDerWaalsContact O-CG2 3.3Å; I147-T156 WeakPolarHBondContact O-CG2 3.36Å; I147-C159 HydrophobicContact CB-CB 4.33Å; I147-C159 HydrophobicContact CD1-CB 3.79Å; I147-C159 HydrophobicContact CG1-CB 3.76Å; I147-C159 HydrophobicContact CG2-CB 3.6Å; I147-Q160 HydrophobicContact CG2-CG 3.56Å; I147-F163 HydrophobicContact CD1-CD2 3.77Å; I147-F163 HydrophobicContact CD1-CE2 4.13Å
148E92.9Very high94.2Very high135 Ų13549.1 Ų49.163%0.63128%0.281SS*.Hα-helixtrans-59.1-24.7-179.8-73.9171.5178.400113.5K144 C145 A146K144-E148 WeakPolarHBondContact O-CG 3.47Å; K144-E148 PolarHBondContact O-N 3.4Å; C145-E148 PolarHBondContact O-N 2.79Å; A146-E148 PolarHBondContact O-N 2.91Å
149T91.6Very high94.1Very high78 Ų7847.2 Ų47.248%0.47927%0.268SS..THydrogen-bonded Turntrans-98.56.8179.571.10000113.7A146 I147 R192A146-T149 PolarHBondContact O-N 3.2Å; A146-T149 PolarHBondContact O-OG1 2.86Å; I147-T149 PolarHBondContact O-N 3.08Å; I147-T149 VanDerWaalsContact O-N 3.11Å; T149-R192 PolarHBondContact O-NH2 2.93Å; T149-R192 PolarHBondContact OG1-NE 3.05Å
150L92.8Very high94.1Very high14 Ų1451.9 Ų51.97%0.07329%0.29CS..  trans-76.6152.2-179.7-62.1176.7000111.6A146 I147 T156 C159 A188 L189A146-L150 WeakPolarHBondContact O-CG 3.23Å; I147-L150 HydrophobicContact CB-CD1 4.24Å; I147-L150 HydrophobicContact CG1-CD1 4.06Å; I147-L150 HydrophobicContact CG2-CD1 4.38Å; I147-L150 WeakPolarHBondContact O-CB 3.47Å; I147-L150 WeakPolarHBondContact O-CG 3.31Å; I147-L150 PolarHBondContact O-N 3.45Å; L150-T156 VanDerWaalsContact C-OG1 3.26Å; L150-T156 WeakPolarHBondContact CB-OG1 3.36Å; L150-T156 PolarHBondContact O-OG1 2.85Å; L150-C159 HydrophobicContact CD1-CB 4.38Å; L150-A188 HydrophobicContact CD2-CB 3.63Å; L150-A188 WeakPolarHBondContact CD2-O 3.25Å; L150-A188 HydrophobicContact CG-CB 4.47Å; L150-L189 HydrophobicContact CD1-CD2 4.04Å; L150-L189 HydrophobicContact CD1-CG 4.47Å; L150-L189 HydrophobicContact CD2-CD2 4.26Å
151S91.2Very high94.2Very high85 Ų8558 Ų5859%0.59431%0.312SS*.SBendtrans-136.9151.7165.562.40000108.1
152P92.9Very high94.2Very high59 Ų5951.3 Ų51.338%0.38329%0.286SS..SBendcis-74.4163.2-1.631.9-35.8000113.4E154 V155 T156P152-E154 PolarHBondContact O-N 2.68Å; P152-E154 VanDerWaalsContact O-N 3.11Å; P152-V155 HydrophobicContact CG-CB 4.45Å; P152-V155 HydrophobicContact CG-CG2 3.9Å; P152-V155 WeakPolarHBondContact O-CB 3.49Å; P152-V155 PolarHBondContact O-N 3.43Å; P152-T156 PolarHBondContact O-N 2.84Å; P152-T156 PolarHBondContact O-OG1 3.4Å
153A93.9Very high94.2Very high80 Ų8050.1 Ų50.166%0.66128%0.275SS*.Hα-helixtrans-55.7-32-176.300000114V155 T156 A157A153-V155 VanDerWaalsContact C-N 3.35Å; A153-V155 PolarHBondContact O-N 2.93Å; A153-T156 PolarHBondContact O-N 2.78Å; A153-A157 WeakPolarHBondContact O-CB 3.47Å; A153-A157 PolarHBondContact O-N 3.05Å
154E95Very high94.2Very high77 Ų7753.8 Ų53.836%0.3629%0.289SS..Hα-helixtrans-59.2-44.2174.4-172.6-177.5-176.400111.6P152 R158 R180 I181P152-E154 PolarHBondContact O-N 2.68Å; P152-E154 VanDerWaalsContact O-N 3.11Å; E154-R158 WeakPolarHBondContact O-CG 3.45Å; E154-R158 PolarHBondContact O-N 3.21Å; E154-R180 IonicContact OE1-NH2 2.8Å; E154-R180 PolarHBondContact OE1-NH2 3.22Å; E154-R180 VanDerWaalsContact OE1-NH2 3.11Å; E154-R180 IonicContact OE2-CZ 3.49Å; E154-R180 IonicContact OE2-NH1 3.01Å; E154-R180 PolarHBondContact OE2-NH1 2.98Å; E154-R180 IonicContact OE2-NH2 3.59Å; E154-R180 PolarHBondContact OE2-NH2 3.08Å; E154-I181 HydrophobicContact CG-CD1 3.93Å
155V94.3Very high94Very high1 Ų151.8 Ų51.81%0.00628%0.283CS..Hα-helixtrans-66.8-45.1177.9172.30000110.3P152 A153 A157 R158 C159 I181 N184 L185P152-V155 HydrophobicContact CG-CB 4.45Å; P152-V155 HydrophobicContact CG-CG2 3.9Å; P152-V155 WeakPolarHBondContact O-CB 3.49Å; P152-V155 PolarHBondContact O-N 3.43Å; A153-V155 VanDerWaalsContact C-N 3.35Å; A153-V155 PolarHBondContact O-N 2.93Å; V155-A157 PolarHBondContact O-N 3.13Å; V155-R158 PolarHBondContact O-N 2.76Å; V155-C159 PolarHBondContact O-N 3.43Å; V155-C159 PolarHBondContact O-SG 2.86Å; V155-I181 HydrophobicContact CG2-CD1 4Å; V155-N184 HydrophobicContact CG2-CB 3.6Å; V155-L185 HydrophobicContact CG1-CB 4.22Å; V155-L185 HydrophobicContact CG1-CD1 4.03Å
156T95.5Very high93.8Very high16 Ų1651.7 Ų51.710%0.09828%0.279CS..Hα-helixtrans-56.5-50178.1-52.10000111.6I147 L150 P152 A153 R158 C159 Q160I147-T156 HydrophobicContact CG2-CG2 4.26Å; I147-T156 VanDerWaalsContact O-CG2 3.3Å; I147-T156 WeakPolarHBondContact O-CG2 3.36Å; L150-T156 VanDerWaalsContact C-OG1 3.26Å; L150-T156 WeakPolarHBondContact CB-OG1 3.36Å; L150-T156 PolarHBondContact O-OG1 2.85Å; P152-T156 PolarHBondContact O-N 2.84Å; P152-T156 PolarHBondContact O-OG1 3.4Å; A153-T156 PolarHBondContact O-N 2.78Å; T156-R158 VanDerWaalsContact C-N 3.27Å; T156-R158 PolarHBondContact O-N 2.81Å; T156-C159 PolarHBondContact O-N 2.99Å; T156-Q160 WeakPolarHBondContact O-CG 3.11Å; T156-Q160 PolarHBondContact O-N 3.31Å
157A95.7Very high93.8Very high49 Ų4953.9 Ų53.941%0.40529%0.29SS..Hα-helixtrans-61.8-35-179.400000112.7A153 V155A153-A157 WeakPolarHBondContact O-CB 3.47Å; A153-A157 PolarHBondContact O-N 3.05Å; V155-A157 PolarHBondContact O-N 3.13Å
158R95.5Very high93.9Very high56 Ų5653.7 Ų53.721%0.21129%0.288CS..Hα-helixtrans-72.8-47.8175.4-65-175.486.2109.11.3111.2E154 V155 T156 Q160 R161 Q162 D170 S171 F172E154-R158 WeakPolarHBondContact O-CG 3.45Å; E154-R158 PolarHBondContact O-N 3.21Å; V155-R158 PolarHBondContact O-N 2.76Å; T156-R158 VanDerWaalsContact C-N 3.27Å; T156-R158 PolarHBondContact O-N 2.81Å; R158-Q160 VanDerWaalsContact C-N 3.3Å; R158-Q160 PolarHBondContact O-N 3.23Å; R158-R161 PolarHBondContact O-N 2.89Å; R158-Q162 HydrophobicContact CB-CG 4.49Å; R158-Q162 VanDerWaalsContact O-CB 3.27Å; R158-Q162 WeakPolarHBondContact O-CB 3.45Å; R158-Q162 VanDerWaalsContact O-CG 3.25Å; R158-Q162 WeakPolarHBondContact O-CG 3.39Å; R158-Q162 PolarHBondContact O-N 3.23Å; R158-D170 IonicContact CZ-OD1 2.65Å; R158-D170 IonicContact CZ-OD2 3.44Å; R158-D170 VanDerWaalsContact CZ-OD2 3.22Å; R158-D170 IonicContact NE-OD1 3.11Å; R158-D170 IonicContact NE-OD2 3.22Å; R158-D170 PolarHBondContact NE-OD2 3.11Å; R158-D170 IonicContact NH2-OD1 3.22Å; R158-D170 PolarHBondContact NH2-OD1 3.47Å; R158-D170 IonicContact NH2-OD2 2.64Å; R158-D170 PolarHBondContact NH2-OD2 3.18Å; R158-S171 PolarHBondContact NH2-O 3.16Å; R158-F172 VanDerWaalsContact NH2-CZ 3.34Å
159C94.7Very high94Very high1 Ų148.5 Ų48.51%0.00727%0.265CS..Hα-helixtrans-53.5-45.8176.6-67.40000112.6I147 L150 V155 T156 R161 F163 L185I147-C159 HydrophobicContact CB-CB 4.33Å; I147-C159 HydrophobicContact CD1-CB 3.79Å; I147-C159 HydrophobicContact CG1-CB 3.76Å; I147-C159 HydrophobicContact CG2-CB 3.6Å; L150-C159 HydrophobicContact CD1-CB 4.38Å; V155-C159 PolarHBondContact O-N 3.43Å; V155-C159 PolarHBondContact O-SG 2.86Å; T156-C159 PolarHBondContact O-N 2.99Å; C159-R161 PolarHBondContact O-N 3.42Å; C159-F163 HydrophobicContact CB-CD2 4.13Å; C159-F163 HydrophobicContact CB-CE2 4.06Å; C159-F163 WeakPolarHBondContact O-CD2 3.38Å; C159-L185 WeakPolarHBondContact SG-CD1 3.21Å
160Q94.9Very high94.3Very high98 Ų9844.8 Ų44.846%0.45824%0.242SC..Hα-helixtrans-56.1-28.3179.8-74.8175.4-22.300113.1N71 I147 T156 R158N71-Q160 PolarHBondContact ND2-O 2.77Å; N71-Q160 PolarHBondContact OD1-O 2.99Å; I147-Q160 HydrophobicContact CG2-CG 3.56Å; T156-Q160 WeakPolarHBondContact O-CG 3.11Å; T156-Q160 PolarHBondContact O-N 3.31Å; R158-Q160 VanDerWaalsContact C-N 3.3Å; R158-Q160 PolarHBondContact O-N 3.23Å
161R95.1Very high94.5Very high143 Ų14344.2 Ų44.254%0.5424%0.239SC..Hα-helixtrans-110-23.8-172.3-61.2-177.966.9174.33.4114.4I76 R79 R158 C159I76-R161 WeakPolarHBondContact CG1-O 3.49Å; R79-R161 PolarHBondContact NH2-O 2.82Å; R158-R161 PolarHBondContact O-N 2.89Å; C159-R161 PolarHBondContact O-N 3.42Å
162Q96.1Very high94.8Very high10 Ų1040.5 Ų40.55%0.04721%0.212CC..Hα-helixtrans-103.6-10.6-167.5-62.4-58.259.100113.9R158 Y168 L169 D170R158-Q162 HydrophobicContact CB-CG 4.49Å; R158-Q162 VanDerWaalsContact O-CB 3.27Å; R158-Q162 WeakPolarHBondContact O-CB 3.45Å; R158-Q162 VanDerWaalsContact O-CG 3.25Å; R158-Q162 WeakPolarHBondContact O-CG 3.39Å; R158-Q162 PolarHBondContact O-N 3.23Å; Q162-Y168 HydrophobicContact CB-CD2 4.08Å; Q162-Y168 HydrophobicContact CB-CE2 3.7Å; Q162-L169 WeakPolarHBondContact CB-O 3.29Å; Q162-L169 PolarHBondContact O-N 2.92Å; Q162-D170 HydrophobicContact CG-CB 4.31Å; Q162-D170 PolarHBondContact NE2-OD1 3.26Å
163F95.3Very high95Very high8 Ų843 Ų434%0.03522%0.219CC..EExtended strand (participates in β ladder)trans-78.2128.5170.8-84.2-74.4000112.2N71 I76 V91 L143 I147 C159 N167 Y168 L189 L196N71-F163 PolarHBondContact ND2-O 2.9Å; I76-F163 WeakPolarHBondContact CD1-O 3.36Å; V91-F163 HydrophobicContact CG2-CE1 3.98Å; L143-F163 HydrophobicContact CD1-CE2 4.49Å; L143-F163 HydrophobicContact CD2-CB 4.38Å; L143-F163 HydrophobicContact CD2-CD1 3.97Å; L143-F163 HydrophobicContact CD2-CD2 4.4Å; L143-F163 HydrophobicContact CD2-CE1 4.34Å; L143-F163 HydrophobicContact CD2-CG 4.01Å; I147-F163 HydrophobicContact CD1-CD2 3.77Å; I147-F163 HydrophobicContact CD1-CE2 4.13Å; C159-F163 HydrophobicContact CB-CD2 4.13Å; C159-F163 HydrophobicContact CB-CE2 4.06Å; C159-F163 WeakPolarHBondContact O-CD2 3.38Å; F163-N167 CarbonylContact C-O 3.47Å; F163-N167 VanDerWaalsContact CA-O 3.26Å; F163-N167 WeakPolarHBondContact CA-O 3.3Å; F163-Y168 HydrophobicContact CD1-CD2 4.39Å; F163-Y168 AromaticContact CD2-CD2 3.87Å; F163-Y168 HydrophobicContact CD2-CD2 3.87Å; F163-Y168 HydrophobicContact CE1-CD2 4.18Å; F163-Y168 HydrophobicContact CE1-CG 4.4Å; F163-Y168 AromaticContact CE2-CD2 3.61Å; F163-Y168 HydrophobicContact CE2-CD2 3.61Å; F163-Y168 HydrophobicContact CE2-CE2 4.3Å; F163-Y168 HydrophobicContact CG-CD2 4.24Å; F163-Y168 AromaticContact CZ-CD2 3.77Å; F163-Y168 HydrophobicContact CZ-CD2 3.77Å; F163-Y168 HydrophobicContact CZ-CG 4.25Å; F163-L189 HydrophobicContact CE2-CD1 4.3Å; F163-L189 HydrophobicContact CZ-CD1 3.9Å; F163-L196 HydrophobicContact CE1-CD2 4.4Å; F163-L196 HydrophobicContact CZ-CD2 4.28Å
164Y93.7Very high95.1Very high83 Ų8344.3 Ų44.333%0.32521%0.21SC..EExtended strand (participates in β ladder)trans-111.5104.1162.1179.2-105.4000109.1T70 F73 D166 N167T70-Y164 HydrophobicContact CG2-CE2 4.49Å; F73-Y164 HydrophobicContact CB-CD2 4.17Å; F73-Y164 HydrophobicContact CB-CE2 3.95Å; F73-Y164 HydrophobicContact CD2-CD1 4.09Å; F73-Y164 AromaticContact CD2-CD2 3.83Å; F73-Y164 HydrophobicContact CD2-CD2 3.83Å; F73-Y164 HydrophobicContact CD2-CE1 4.25Å; F73-Y164 HydrophobicContact CD2-CE2 4.01Å; F73-Y164 AromaticContact CD2-CG 3.86Å; F73-Y164 HydrophobicContact CD2-CG 3.86Å; F73-Y164 HydrophobicContact CE2-CD1 4.31Å; F73-Y164 HydrophobicContact CE2-CG 4.44Å; F73-Y164 HydrophobicContact CG-CD2 4.43Å; F73-Y164 HydrophobicContact CG-CE2 4.28Å; Y164-D166 PolarHBondContact O-N 2.92Å; Y164-N167 PolarHBondContact N-O 3.33Å; Y164-N167 PolarHBondContact O-N 3.45Å
165V90.6Very high95.1Very high34 Ų3444.2 Ų44.221%0.20621%0.214CC..THydrogen-bonded Turntrans54.5-104.9-169.5-170.50000109.9T70 M94 M140 L143T70-V165 HydrophobicContact CG2-CG2 3.76Å; M94-V165 HydrophobicContact CE-CG1 3.93Å; M140-V165 HydrophobicContact CG-CG1 4.27Å; M140-V165 HydrophobicContact SD-CB 4.41Å; M140-V165 HydrophobicContact SD-CG1 4.37Å; M140-V165 HydrophobicContact SD-CG2 4.1Å; L143-V165 WeakPolarHBondContact CD2-O 3.19Å
166D90.8Very high95.2Very high41 Ų4150.7 Ų50.722%0.21924%0.244CC..THydrogen-bonded Turntrans-98.9-12.7179.353.4-13.2000113.4D90 V91 M94 Y164D90-D166 CarbonylContact C-O 3.52Å; D90-D166 WeakPolarHBondContact CA-O 3.28Å; V91-D166 HydrophobicContact CB-CB 4.36Å; V91-D166 PolarHBondContact N-O 3.31Å; M94-D166 HydrophobicContact CB-CB 4.22Å; M94-D166 HydrophobicContact CE-CB 4.03Å; M94-D166 HydrophobicContact SD-CB 3.75Å; Y164-D166 PolarHBondContact O-N 2.92Å
167N93.5Very high95.2Very high59 Ų5952.7 Ų52.732%0.31625%0.254SS..EExtended strand (participates in β ladder)trans-90.5127.8-175.9-69.3-88.7000111.5S89 F163 Y164 L169S89-N167 CarbonylContact O-C 3.55Å; S89-N167 WeakPolarHBondContact O-CA 3.3Å; F163-N167 CarbonylContact C-O 3.47Å; F163-N167 VanDerWaalsContact CA-O 3.26Å; F163-N167 WeakPolarHBondContact CA-O 3.3Å; Y164-N167 PolarHBondContact N-O 3.33Å; Y164-N167 PolarHBondContact O-N 3.45Å; N167-L169 HydrophobicContact CB-CD1 3.93Å
168Y95.7Very high95.2Very high1 Ų150.3 Ų50.30%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-95.1120168.9-173.7-98.2000110I87 V88 S89 Q162 F163 D170 L185I87-Y168 HydrophobicContact CG2-CD1 4.26Å; I87-Y168 HydrophobicContact CG2-CE1 4.26Å; V88-Y168 WeakPolarHBondContact CA-O 3.09Å; S89-Y168 PolarHBondContact N-O 3.37Å; S89-Y168 PolarHBondContact O-N 2.81Å; Q162-Y168 HydrophobicContact CB-CD2 4.08Å; Q162-Y168 HydrophobicContact CB-CE2 3.7Å; F163-Y168 HydrophobicContact CD1-CD2 4.39Å; F163-Y168 AromaticContact CD2-CD2 3.87Å; F163-Y168 HydrophobicContact CD2-CD2 3.87Å; F163-Y168 HydrophobicContact CE1-CD2 4.18Å; F163-Y168 HydrophobicContact CE1-CG 4.4Å; F163-Y168 AromaticContact CE2-CD2 3.61Å; F163-Y168 HydrophobicContact CE2-CD2 3.61Å; F163-Y168 HydrophobicContact CE2-CE2 4.3Å; F163-Y168 HydrophobicContact CG-CD2 4.24Å; F163-Y168 AromaticContact CZ-CD2 3.77Å; F163-Y168 HydrophobicContact CZ-CD2 3.77Å; F163-Y168 HydrophobicContact CZ-CG 4.25Å; Y168-D170 HydrophobicContact CD1-CB 4.16Å; Y168-D170 HydrophobicContact CE1-CB 3.38Å; Y168-D170 PolarHBondContact OH-OD2 3.28Å; Y168-L185 HydrophobicContact CD1-CD2 3.75Å; Y168-L185 HydrophobicContact CD2-CD2 3.9Å; Y168-L185 HydrophobicContact CE1-CD2 3.6Å; Y168-L185 HydrophobicContact CE2-CD2 3.73Å; Y168-L185 HydrophobicContact CG-CD2 3.9Å
169L96.3Very high95.2Very high25 Ų2550.1 Ų50.113%0.13124%0.24CC..EExtended strand (participates in β ladder)trans-125.5120.5176.1-59.1103.9000110.9I76 F80 Q162 N167I76-L169 HydrophobicContact CG2-CB 3.9Å; I76-L169 HydrophobicContact CG2-CD1 4.08Å; F80-L169 HydrophobicContact CB-CB 4.47Å; F80-L169 HydrophobicContact CD2-CB 3.91Å; F80-L169 HydrophobicContact CE2-CB 4.34Å; F80-L169 HydrophobicContact CG-CB 4.18Å; Q162-L169 WeakPolarHBondContact CB-O 3.29Å; Q162-L169 PolarHBondContact O-N 2.92Å; N167-L169 HydrophobicContact CB-CD1 3.93Å
170D96.8Very high95.2Very high1 Ų154.3 Ų54.31%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-148.3164.3-174.9-154.36.6000114.2F80 P86 I87 R158 Q162 Y168 F172F80-D170 VanDerWaalsContact CD2-N 3.3Å; F80-D170 WeakPolarHBondContact CD2-O 3.42Å; F80-D170 WeakPolarHBondContact CE2-O 3.26Å; P86-D170 CarbonylContact C-O 3.54Å; P86-D170 WeakPolarHBondContact CA-O 3.27Å; I87-D170 HydrophobicContact CB-CB 4.5Å; I87-D170 PolarHBondContact N-O 2.89Å; I87-D170 PolarHBondContact O-N 3.1Å; R158-D170 IonicContact CZ-OD1 2.65Å; R158-D170 IonicContact CZ-OD2 3.44Å; R158-D170 VanDerWaalsContact CZ-OD2 3.22Å; R158-D170 IonicContact NE-OD1 3.11Å; R158-D170 IonicContact NE-OD2 3.22Å; R158-D170 PolarHBondContact NE-OD2 3.11Å; R158-D170 IonicContact NH2-OD1 3.22Å; R158-D170 PolarHBondContact NH2-OD1 3.47Å; R158-D170 IonicContact NH2-OD2 2.64Å; R158-D170 PolarHBondContact NH2-OD2 3.18Å; Q162-D170 HydrophobicContact CG-CB 4.31Å; Q162-D170 PolarHBondContact NE2-OD1 3.26Å; Y168-D170 HydrophobicContact CD1-CB 4.16Å; Y168-D170 HydrophobicContact CE1-CB 3.38Å; Y168-D170 PolarHBondContact OH-OD2 3.28Å; D170-F172 HydrophobicContact CB-CE2 4.15Å; D170-F172 VanDerWaalsContact OD2-CZ 3.29Å; D170-F172 WeakPolarHBondContact OD2-CZ 3.48Å
171S97.1Very high95.2Very high1 Ų149.7 Ų49.71%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-147.1158174.262.60000114.4R79 F80 Y83 I85 R158R79-S171 PolarHBondContact O-OG 3.48Å; F80-S171 WeakPolarHBondContact O-CB 3.33Å; F80-S171 PolarHBondContact O-OG 3.35Å; Y83-S171 WeakPolarHBondContact CD2-O 3.33Å; Y83-S171 PolarHBondContact N-OG 2.97Å; I85-S171 CarbonylContact O-C 3.44Å; I85-S171 WeakPolarHBondContact O-CA 3.1Å; I85-S171 WeakPolarHBondContact O-CB 3.38Å; R158-S171 PolarHBondContact NH2-O 3.16Å
172F97.2Very high95.2Very high8 Ų843.4 Ų43.44%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-139.4153.1-171.8-60.8-90.4000111.9Y83 I85 I87 R158 D170 N177 A178 I181Y83-F172 WeakPolarHBondContact CB-O 3.3Å; I85-F172 VanDerWaalsContact CB-O 3.25Å; I85-F172 WeakPolarHBondContact CB-O 3.28Å; I85-F172 PolarHBondContact N-O 3.5Å; I85-F172 VanDerWaalsContact N-O 3.08Å; I85-F172 PolarHBondContact O-N 3.48Å; I87-F172 HydrophobicContact CB-CE2 4.35Å; I87-F172 HydrophobicContact CD1-CD2 3.91Å; I87-F172 HydrophobicContact CD1-CE2 3.54Å; I87-F172 HydrophobicContact CD1-CZ 4.44Å; I87-F172 HydrophobicContact CG1-CD2 3.95Å; I87-F172 HydrophobicContact CG1-CE2 3.83Å; R158-F172 VanDerWaalsContact NH2-CZ 3.34Å; D170-F172 HydrophobicContact CB-CE2 4.15Å; D170-F172 VanDerWaalsContact OD2-CZ 3.29Å; D170-F172 WeakPolarHBondContact OD2-CZ 3.48Å; F172-N177 HydrophobicContact CD1-CB 4.04Å; F172-A178 HydrophobicContact CB-CB 3.92Å; F172-A178 HydrophobicContact CD2-CB 3.69Å; F172-A178 HydrophobicContact CE2-CB 4.47Å; F172-A178 HydrophobicContact CG-CB 3.85Å; F172-I181 HydrophobicContact CE1-CB 3.95Å; F172-I181 HydrophobicContact CE1-CG1 3.71Å; F172-I181 HydrophobicContact CE1-CG2 4.3Å; F172-I181 HydrophobicContact CZ-CB 3.73Å; F172-I181 HydrophobicContact CZ-CG1 4Å; F172-I181 HydrophobicContact CZ-CG2 3.72Å
173E96.7Very high95.1Very high112 Ų11249.1 Ų49.152%0.52323%0.234SC..SBendtrans-80.4-30.2175.9-170.2172.9-176.400112.3Y83 I85Y83-E173 HydrophobicContact CD1-CB 3.91Å; Y83-E173 HydrophobicContact CE1-CB 4.22Å; I85-E173 WeakPolarHBondContact CD1-O 3.48Å
174F96.6Very high95Very high107 Ų10750.6 Ų50.647%0.46924%0.242SC..SBendtrans-128.7140.5-177-56.3-72.3000111.4E176 N177 A178F174-E176 VanDerWaalsContact C-N 3.25Å; F174-E176 PolarHBondContact O-N 3.17Å; F174-N177 PolarHBondContact O-N 3.5Å; F174-A178 PolarHBondContact O-N 3.13Å; F174-A178 VanDerWaalsContact O-N 3.16Å
175V96Very high95Very high74 Ų7446.6 Ų46.645%0.44823%0.226SC..Hα-helixtrans-63.8-36.4-176.3176.70000110.2I85 N177 A178 V179I85-V175 HydrophobicContact CD1-CB 4.31Å; I85-V175 HydrophobicContact CD1-CG2 3.56Å; I85-V175 HydrophobicContact CG1-CG2 4.35Å; V175-N177 VanDerWaalsContact C-N 3.29Å; V175-N177 PolarHBondContact O-N 2.87Å; V175-A178 WeakPolarHBondContact O-CB 3.44Å; V175-A178 PolarHBondContact O-N 2.96Å; V175-A178 VanDerWaalsContact O-N 3.14Å; V175-V179 HydrophobicContact CG1-CG2 4.08Å; V175-V179 WeakPolarHBondContact O-CG2 3.45Å; V175-V179 PolarHBondContact O-N 3.38Å
176E96Very high95.1Very high137 Ų13748.9 Ų48.964%0.6423%0.233SC*.Hα-helixtrans-60.5-40.8179.8-61.275.4-166.200111.1F174 R180F174-E176 VanDerWaalsContact C-N 3.25Å; F174-E176 PolarHBondContact O-N 3.17Å; E176-R180 VanDerWaalsContact O-CB 3.25Å; E176-R180 WeakPolarHBondContact O-CB 3.31Å; E176-R180 PolarHBondContact O-N 3.01Å
177N95.1Very high95.3Very high58 Ų5852 Ų5231%0.3125%0.247SC..Hα-helixtrans-69.6-41.4175.7-79.9-31.1000111.7F172 F174 V175 R180 I181F172-N177 HydrophobicContact CD1-CB 4.04Å; F174-N177 PolarHBondContact O-N 3.5Å; V175-N177 VanDerWaalsContact C-N 3.29Å; V175-N177 PolarHBondContact O-N 2.87Å; N177-R180 PolarHBondContact O-N 2.98Å; N177-R180 PolarHBondContact OD1-NH2 3.16Å; N177-I181 WeakPolarHBondContact O-CG1 3.5Å; N177-I181 PolarHBondContact O-N 3.14Å
178A95.6Very high95.2Very high0 Ų050 Ų500%024%0.238CC..Hα-helixtrans-56.8-53.7175.700000110.3I85 I87 F172 F174 V175 R180 I181 A182 I201I85-A178 HydrophobicContact CG2-CB 3.92Å; I87-A178 HydrophobicContact CD1-CB 3.78Å; I87-A178 WeakPolarHBondContact CD1-O 3.45Å; I87-A178 HydrophobicContact CG1-CB 4.17Å; F172-A178 HydrophobicContact CB-CB 3.92Å; F172-A178 HydrophobicContact CD2-CB 3.69Å; F172-A178 HydrophobicContact CE2-CB 4.47Å; F172-A178 HydrophobicContact CG-CB 3.85Å; F174-A178 PolarHBondContact O-N 3.13Å; F174-A178 VanDerWaalsContact O-N 3.16Å; V175-A178 WeakPolarHBondContact O-CB 3.44Å; V175-A178 PolarHBondContact O-N 2.96Å; V175-A178 VanDerWaalsContact O-N 3.14Å; A178-R180 PolarHBondContact O-N 2.78Å; A178-I181 PolarHBondContact O-N 2.83Å; A178-A182 VanDerWaalsContact O-CB 3.27Å; A178-A182 WeakPolarHBondContact O-CB 3.3Å; A178-A182 PolarHBondContact O-N 2.96Å; A178-I201 HydrophobicContact CB-CD1 4.5Å; A178-I201 HydrophobicContact CB-CG2 4.32Å
179V95.2Very high95.1Very high52 Ų5249.9 Ų49.932%0.31524%0.238SC..Hα-helixtrans-61.7-41.9179.1172.80000112V175 A182 R183 I201V175-V179 HydrophobicContact CG1-CG2 4.08Å; V175-V179 WeakPolarHBondContact O-CG2 3.45Å; V175-V179 PolarHBondContact O-N 3.38Å; V179-A182 PolarHBondContact O-N 3.03Å; V179-R183 WeakPolarHBondContact O-CB 3.17Å; V179-R183 PolarHBondContact O-N 3.27Å; V179-I201 HydrophobicContact CB-CD1 4.48Å; V179-I201 HydrophobicContact CG2-CD1 3.62Å
180R95.6Very high94.9Very high89 Ų8952.8 Ų52.834%0.33625%0.251SS..Hα-helixtrans-61.2-48.8177.6179.517664.197.76.9111.4E154 E176 N177 A178 R183 N184E154-R180 IonicContact OE1-NH2 2.8Å; E154-R180 PolarHBondContact OE1-NH2 3.22Å; E154-R180 VanDerWaalsContact OE1-NH2 3.11Å; E154-R180 IonicContact OE2-CZ 3.49Å; E154-R180 IonicContact OE2-NH1 3.01Å; E154-R180 PolarHBondContact OE2-NH1 2.98Å; E154-R180 IonicContact OE2-NH2 3.59Å; E154-R180 PolarHBondContact OE2-NH2 3.08Å; E176-R180 VanDerWaalsContact O-CB 3.25Å; E176-R180 WeakPolarHBondContact O-CB 3.31Å; E176-R180 PolarHBondContact O-N 3.01Å; N177-R180 PolarHBondContact O-N 2.98Å; N177-R180 PolarHBondContact OD1-NH2 3.16Å; A178-R180 PolarHBondContact O-N 2.78Å; R180-R183 PolarHBondContact O-N 3.38Å; R180-N184 PolarHBondContact O-N 3.44Å; R180-N184 VanDerWaalsContact O-N 3.07Å; R180-N184 PolarHBondContact O-OD1 2.85Å
181I94.9Very high94.5Very high1 Ų155.1 Ų55.11%0.00528%0.276CS..Hα-helixtrans-68.5-40.5179.4-67.5-61.7000111.2E154 V155 F172 N177 A178 R183 N184 L185E154-I181 HydrophobicContact CG-CD1 3.93Å; V155-I181 HydrophobicContact CG2-CD1 4Å; F172-I181 HydrophobicContact CE1-CB 3.95Å; F172-I181 HydrophobicContact CE1-CG1 3.71Å; F172-I181 HydrophobicContact CE1-CG2 4.3Å; F172-I181 HydrophobicContact CZ-CB 3.73Å; F172-I181 HydrophobicContact CZ-CG1 4Å; F172-I181 HydrophobicContact CZ-CG2 3.72Å; N177-I181 WeakPolarHBondContact O-CG1 3.5Å; N177-I181 PolarHBondContact O-N 3.14Å; A178-I181 PolarHBondContact O-N 2.83Å; I181-R183 VanDerWaalsContact C-N 3.32Å; I181-R183 PolarHBondContact O-N 3.18Å; I181-N184 PolarHBondContact O-N 2.96Å; I181-L185 WeakPolarHBondContact O-CB 3.48Å; I181-L185 PolarHBondContact O-N 3.13Å
182A94.2Very high94.1Very high11 Ų1160.3 Ų60.39%0.09130%0.295CS..Hα-helixtrans-53.8-49.5175.100000112I87 A178 V179 K186 M199I87-A182 HydrophobicContact CD1-CB 4.02Å; A178-A182 VanDerWaalsContact O-CB 3.27Å; A178-A182 WeakPolarHBondContact O-CB 3.3Å; A178-A182 PolarHBondContact O-N 2.96Å; V179-A182 PolarHBondContact O-N 3.03Å; A182-K186 WeakPolarHBondContact O-CB 3.42Å; A182-K186 PolarHBondContact O-N 3.46Å; A182-M199 WeakPolarHBondContact CA-SD 3.24Å; A182-M199 HydrophobicContact CB-SD 3.37Å; A182-M199 WeakPolarHBondContact CB-SD 3.04Å; A182-M199 WeakPolarHBondContact O-CE 3.44Å
183R94.1Very high93.7Very high130 Ų13069.6 Ų69.649%0.49133%0.33SS..Hα-helixtrans-62.3-52.9178.8-171.9-175.1-54.6109.12.1111.6V179 R180 I181 L185 K186 E187V179-R183 WeakPolarHBondContact O-CB 3.17Å; V179-R183 PolarHBondContact O-N 3.27Å; R180-R183 PolarHBondContact O-N 3.38Å; I181-R183 VanDerWaalsContact C-N 3.32Å; I181-R183 PolarHBondContact O-N 3.18Å; R183-L185 VanDerWaalsContact C-N 3.28Å; R183-L185 PolarHBondContact O-N 3.21Å; R183-K186 PolarHBondContact O-N 3.46Å; R183-E187 WeakPolarHBondContact CG-OE1 3.26Å; R183-E187 WeakPolarHBondContact O-CG 3.35Å; R183-E187 PolarHBondContact O-N 3.01Å
184N94Very high93.4Very high38 Ų3864.8 Ų64.820%0.20331%0.308CS..Hα-helixtrans-62.2-38.8-177.6-65.4-6.5000111.5V155 R180 I181 A188V155-N184 HydrophobicContact CG2-CB 3.6Å; R180-N184 PolarHBondContact O-N 3.44Å; R180-N184 VanDerWaalsContact O-N 3.07Å; R180-N184 PolarHBondContact O-OD1 2.85Å; I181-N184 PolarHBondContact O-N 2.96Å; N184-A188 WeakPolarHBondContact O-CB 3.44Å; N184-A188 PolarHBondContact O-N 2.98Å
185L93.4Very high93.2Very high0 Ų061.8 Ų61.80%030%0.3CS..Hα-helixtrans-61.2-50175.8174.560000111.4V155 C159 Y168 I181 R183 A188 L189 L196 M199V155-L185 HydrophobicContact CG1-CB 4.22Å; V155-L185 HydrophobicContact CG1-CD1 4.03Å; C159-L185 WeakPolarHBondContact SG-CD1 3.21Å; Y168-L185 HydrophobicContact CD1-CD2 3.75Å; Y168-L185 HydrophobicContact CD2-CD2 3.9Å; Y168-L185 HydrophobicContact CE1-CD2 3.6Å; Y168-L185 HydrophobicContact CE2-CD2 3.73Å; Y168-L185 HydrophobicContact CG-CD2 3.9Å; I181-L185 WeakPolarHBondContact O-CB 3.48Å; I181-L185 PolarHBondContact O-N 3.13Å; R183-L185 VanDerWaalsContact C-N 3.28Å; R183-L185 PolarHBondContact O-N 3.21Å; L185-A188 PolarHBondContact O-N 3.19Å; L185-L189 HydrophobicContact CD1-CD1 3.53Å; L185-L189 HydrophobicContact CD1-CG 4.06Å; L185-L189 HydrophobicContact CG-CD1 4.16Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 PolarHBondContact O-N 2.78Å; L185-L196 HydrophobicContact CD1-CD1 4.42Å; L185-L196 HydrophobicContact CD2-CD1 3.87Å; L185-L196 HydrophobicContact CG-CD1 3.71Å; L185-M199 HydrophobicContact CB-CE 4.05Å; L185-M199 HydrophobicContact CD2-CE 3.52Å; L185-M199 HydrophobicContact CD2-SD 4.5Å; L185-M199 HydrophobicContact CG-CE 3.75Å
186K93.3Very high93Very high81 Ų8158.6 Ų58.635%0.35228%0.281SS..Hα-helixtrans-60.7-47.9179.6-167.2175.4-178.7172.10110.9A182 R183 M190 M199A182-K186 WeakPolarHBondContact O-CB 3.42Å; A182-K186 PolarHBondContact O-N 3.46Å; R183-K186 PolarHBondContact O-N 3.46Å; K186-M190 HydrophobicContact CG-CE 3.97Å; K186-M190 HydrophobicContact CG-CG 4.48Å; K186-M190 HydrophobicContact CG-SD 4.2Å; K186-M190 VanDerWaalsContact O-CB 3.28Å; K186-M190 WeakPolarHBondContact O-CB 3.38Å; K186-M190 WeakPolarHBondContact O-CG 3.4Å; K186-M190 PolarHBondContact O-N 3.01Å; K186-M199 HydrophobicContact CB-CE 4.25Å
187E93Very high92.6Very high108 Ų10854.8 Ų54.851%0.50526%0.264SS..Hα-helixtrans-61.8-46.6178.2-73173.7-170.100112.3R183 L189 M190 G191R183-E187 WeakPolarHBondContact CG-OE1 3.26Å; R183-E187 WeakPolarHBondContact O-CG 3.35Å; R183-E187 PolarHBondContact O-N 3.01Å; E187-L189 PolarHBondContact O-N 2.93Å; E187-M190 HydrophobicContact CG-CE 4.43Å; E187-M190 PolarHBondContact O-N 2.9Å; E187-G191 PolarHBondContact O-N 3.41Å
188A92.6Very high92.1Very high15 Ų1560.2 Ų60.212%0.12429%0.288CS..Hα-helixtrans-65.6-41.7-176.600000111.8L150 N184 L185 G191 R192L150-A188 HydrophobicContact CD2-CB 3.63Å; L150-A188 WeakPolarHBondContact CD2-O 3.25Å; L150-A188 HydrophobicContact CG-CB 4.47Å; N184-A188 WeakPolarHBondContact O-CB 3.44Å; N184-A188 PolarHBondContact O-N 2.98Å; L185-A188 PolarHBondContact O-N 3.19Å; A188-G191 PolarHBondContact O-N 2.75Å; A188-R192 WeakPolarHBondContact O-CD 3.4Å
189L92.8Very high91.6Very high0 Ų061.9 Ų61.90%030%0.296CS..Hα-helixtrans-73-39.2176.8-72.1174.2000112.7L143 L150 F163 L185 E187 G191 R192 R193 L194 L196L143-L189 HydrophobicContact CD1-CD2 4.3Å; L150-L189 HydrophobicContact CD1-CD2 4.04Å; L150-L189 HydrophobicContact CD1-CG 4.47Å; L150-L189 HydrophobicContact CD2-CD2 4.26Å; F163-L189 HydrophobicContact CE2-CD1 4.3Å; F163-L189 HydrophobicContact CZ-CD1 3.9Å; L185-L189 HydrophobicContact CD1-CD1 3.53Å; L185-L189 HydrophobicContact CD1-CG 4.06Å; L185-L189 HydrophobicContact CG-CD1 4.16Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 PolarHBondContact O-N 2.78Å; E187-L189 PolarHBondContact O-N 2.93Å; L189-G191 PolarHBondContact O-N 2.86Å; L189-R192 CarbonylContact O-C 3.49Å; L189-R192 WeakPolarHBondContact O-CA 3.41Å; L189-R192 PolarHBondContact O-N 2.91Å; L189-R193 PolarHBondContact O-N 3.36Å; L189-L194 CarbonylContact C-O 3.56Å; L189-L194 HydrophobicContact CB-CB 4.12Å; L189-L194 VanDerWaalsContact CB-O 3.26Å; L189-L194 WeakPolarHBondContact CB-O 3.46Å; L189-L194 HydrophobicContact CD2-CB 4.29Å; L189-L194 HydrophobicContact CD2-CD1 4.17Å; L189-L194 PolarHBondContact O-N 3.06Å; L189-L194 VanDerWaalsContact O-O 3.12Å; L189-L196 HydrophobicContact CD1-CD1 3.68Å; L189-L196 HydrophobicContact CD1-CD2 3.97Å; L189-L196 HydrophobicContact CD1-CG 3.82Å
190M91.9Very high90.8Very high85 Ų8563.2 Ų63.242%0.41930%0.304SS..Hα-helixtrans-58-38.1173.1-77.9-171.5-53.400111.1K186 E187 R192 R193 L194K186-M190 HydrophobicContact CG-CE 3.97Å; K186-M190 HydrophobicContact CG-CG 4.48Å; K186-M190 HydrophobicContact CG-SD 4.2Å; K186-M190 VanDerWaalsContact O-CB 3.28Å; K186-M190 WeakPolarHBondContact O-CB 3.38Å; K186-M190 WeakPolarHBondContact O-CG 3.4Å; K186-M190 PolarHBondContact O-N 3.01Å; E187-M190 HydrophobicContact CG-CE 4.43Å; E187-M190 PolarHBondContact O-N 2.9Å; M190-R192 PolarHBondContact O-N 3.13Å; M190-R193 PolarHBondContact O-N 2.96Å; M190-L194 PolarHBondContact N-O 3.05Å
191G89.2Confident90Very high51 Ų5161.9 Ų61.953%0.52630%0.303SS..THydrogen-bonded Turntrans-62.4-8.8172.700000115E187 A188 L189E187-G191 PolarHBondContact O-N 3.41Å; A188-G191 PolarHBondContact O-N 2.75Å; L189-G191 PolarHBondContact O-N 2.86Å
192R89.2Confident88.4Confident109 Ų10971 Ų7141%0.41135%0.346SS..THydrogen-bonded Turntrans-116.416.1173.2-77.281.5-175.5116.3-12.3112.1A146 T149 A188 L189 M190 L194A146-R192 HydrophobicContact CB-CB 4.07Å; A146-R192 HydrophobicContact CB-CG 4.22Å; T149-R192 PolarHBondContact O-NH2 2.93Å; T149-R192 PolarHBondContact OG1-NE 3.05Å; A188-R192 WeakPolarHBondContact O-CD 3.4Å; L189-R192 CarbonylContact O-C 3.49Å; L189-R192 WeakPolarHBondContact O-CA 3.41Å; L189-R192 PolarHBondContact O-N 2.91Å; M190-R192 PolarHBondContact O-N 3.13Å; R192-L194 PolarHBondContact O-N 3.36Å
193R88.7Confident88.2Confident204 Ų20474.1 Ų74.177%0.7736%0.359SS*.THydrogen-bonded Turntrans60.126-176.8-53.8-179.3177.1-170.5-2.3113.5Q97 L189 M190Q97-R193 PolarHBondContact OE1-O 3.49Å; L189-R193 PolarHBondContact O-N 3.36Å; M190-R193 PolarHBondContact O-N 2.96Å
194L90.5Very high87.8Confident10 Ų1071.1 Ų71.15%0.05235%0.352CS..  trans-103.9102.8170.4-69.2171.4000109V91 Q97 L143 A146 L189 M190 R192V91-L194 HydrophobicContact CG1-CD2 4.18Å; Q97-L194 HydrophobicContact CB-CD2 4.17Å; L143-L194 HydrophobicContact CD1-CD1 3.76Å; A146-L194 HydrophobicContact CB-CD1 3.53Å; L189-L194 CarbonylContact C-O 3.56Å; L189-L194 HydrophobicContact CB-CB 4.12Å; L189-L194 VanDerWaalsContact CB-O 3.26Å; L189-L194 WeakPolarHBondContact CB-O 3.46Å; L189-L194 HydrophobicContact CD2-CB 4.29Å; L189-L194 HydrophobicContact CD2-CD1 4.17Å; L189-L194 PolarHBondContact O-N 3.06Å; L189-L194 VanDerWaalsContact O-O 3.12Å; M190-L194 PolarHBondContact N-O 3.05Å; R192-L194 PolarHBondContact O-N 3.36Å
195C92Very high87.5Confident45 Ų4572.9 Ų72.930%0.30436%0.36SS..PPolyproline II helixtrans-88.4135.1178.9-59.80000110E92E92-C195 HydrophobicContact CB-CB 4.43Å; E92-C195 PolarHBondContact N-O 3.41Å
196L90.6Very high87.2Confident7 Ų777.2 Ų77.24%0.03738%0.381CS..BIsolated β-bridgetrans-98.1141.8171.1-67.5-174.9000110D90 V91 F163 L185 L189 M199D90-L196 WeakPolarHBondContact O-CA 3.49Å; V91-L196 HydrophobicContact CB-CD2 4.31Å; V91-L196 HydrophobicContact CG2-CD2 3.7Å; F163-L196 HydrophobicContact CE1-CD2 4.4Å; F163-L196 HydrophobicContact CZ-CD2 4.28Å; L185-L196 HydrophobicContact CD1-CD1 4.42Å; L185-L196 HydrophobicContact CD2-CD1 3.87Å; L185-L196 HydrophobicContact CG-CD1 3.71Å; L189-L196 HydrophobicContact CD1-CD1 3.68Å; L189-L196 HydrophobicContact CD1-CD2 3.97Å; L189-L196 HydrophobicContact CD1-CG 3.82Å; L196-M199 HydrophobicContact CB-CE 4.43Å; L196-M199 HydrophobicContact CD1-CE 3.22Å; L196-M199 HydrophobicContact CG-CE 4.46Å
197N89.6Confident86.8Confident56 Ų5677 Ų7730%0.29938%0.383SS..PPolyproline II helixtrans-61.1167.6166.3-76.8-37.7000110.8S89 D90 M199S89-N197 PolarHBondContact OG-O 3.13Å; D90-N197 PolarHBondContact O-N 3.43Å; D90-N197 WeakPolarHBondContact OD1-CB 3.4Å; D90-N197 PolarHBondContact OD1-ND2 2.95Å; D90-N197 PolarHBondContact OD2-ND2 2.92Å; N197-M199 PolarHBondContact O-N 2.65Å
198E83.8Confident86.4Confident172 Ų17274.9 Ų74.980%0.80438%0.375SS*.PPolyproline II helixtrans-51.9132176.4-70.5-165.9158.200111.4
199M84.2Confident85.9Confident36 Ų3679.2 Ų79.218%0.17739%0.393CS..PPolyproline II helixtrans-85.6122.9178.2-59.7-167.3179.100108.9I87 V88 A182 L185 K186 L196 N197I87-M199 HydrophobicContact CG2-CB 4.26Å; I87-M199 HydrophobicContact CG2-SD 4.07Å; V88-M199 WeakPolarHBondContact O-CA 3.26Å; A182-M199 WeakPolarHBondContact CA-SD 3.24Å; A182-M199 HydrophobicContact CB-SD 3.37Å; A182-M199 WeakPolarHBondContact CB-SD 3.04Å; A182-M199 WeakPolarHBondContact O-CE 3.44Å; L185-M199 HydrophobicContact CB-CE 4.05Å; L185-M199 HydrophobicContact CD2-CE 3.52Å; L185-M199 HydrophobicContact CD2-SD 4.5Å; L185-M199 HydrophobicContact CG-CE 3.75Å; K186-M199 HydrophobicContact CB-CE 4.25Å; L196-M199 HydrophobicContact CB-CE 4.43Å; L196-M199 HydrophobicContact CD1-CE 3.22Å; L196-M199 HydrophobicContact CG-CE 4.46Å; N197-M199 PolarHBondContact O-N 2.65Å
200V80Confident85.4Confident80 Ų8085.3 Ų85.349%0.48542%0.423SS..EExtended strand (participates in β ladder)trans-88.4120.9174.7-174.70000108.2I87 V88 Q202I87-V200 WeakPolarHBondContact CA-O 3.28Å; V88-V200 PolarHBondContact N-O 3.43Å; V88-V200 PolarHBondContact O-N 3.05Å; V88-V200 VanDerWaalsContact O-N 3.13Å; V200-Q202 HydrophobicContact CG1-CG 3.75Å
201I78.4Confident84.8Confident60 Ų6085.3 Ų85.331%0.30842%0.423SS..EExtended strand (participates in β ladder)trans-106.4117.5170.2-50.2-178.2000106.1I85 P86 I87 A178 V179I85-I201 HydrophobicContact CG2-CG2 3.59Å; P86-I201 WeakPolarHBondContact O-CA 3.38Å; I87-I201 HydrophobicContact CD1-CD1 4.45Å; I87-I201 HydrophobicContact CD1-CG1 4.37Å; I87-I201 HydrophobicContact CG1-CG1 4.22Å; A178-I201 HydrophobicContact CB-CD1 4.5Å; A178-I201 HydrophobicContact CB-CG2 4.32Å; V179-I201 HydrophobicContact CB-CD1 4.48Å; V179-I201 HydrophobicContact CG2-CD1 3.62Å
202Q62Low84.4Confident194 Ų19488.5 Ų88.591%0.90741%0.414SS*.  trans-107.30178.1-58-165.7-48.500112.1P86 V200P86-Q202 WeakPolarHBondContact CD-O 3.38Å; P86-Q202 HydrophobicContact CG-CB 3.84Å; V200-Q202 HydrophobicContact CG1-CG 3.75Å

Retrieved 202 of 202 residues in 103 ms (Link to these results)

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