A0A3Q0KPS3_SCHMA Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KPS3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 475 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
1M55.4Low73.1Confident191 Ų191115.1 Ų115.194%0.94160%0.599SS**  0-46.20-80.8-17798.700113.4L3 I4M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.43Å; M1-I4 PolarHBondContact O-N 2.83Å; M1-I4 VanDerWaalsContact O-N 3.16Å
2L65.6Low73.9Confident164 Ų164112.7 Ų112.786%0.85959%0.593SS**Hα-helixtrans-54.8-36.8-177.6-80.2151.1000115.6I4 W5 S6L2-I4 VanDerWaalsContact C-N 3.35Å; L2-I4 PolarHBondContact O-N 2.99Å; L2-W5 PolarHBondContact O-N 3.48Å; L2-S6 PolarHBondContact O-N 3.02Å
3L69.3Low74.5Confident151 Ų151109.4 Ų109.479%0.79158%0.583SS**Hα-helixtrans-70.8-20.9179.3-96.2136.4000115.4M1 S6M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.43Å; L3-S6 PolarHBondContact O-OG 3.15Å
4I73.4Confident75Confident109 Ų109110.6 Ų110.656%0.55959%0.589SS**Hα-helixtrans-82.2-33179.1-69.7164.3000110.2M1 L2 L8M1-I4 PolarHBondContact O-N 2.83Å; M1-I4 VanDerWaalsContact O-N 3.16Å; L2-I4 VanDerWaalsContact C-N 3.35Å; L2-I4 PolarHBondContact O-N 2.99Å; I4-L8 HydrophobicContact CG2-CD1 3.68Å; I4-L8 PolarHBondContact O-N 3.29Å
5W68.6Low75.4Confident158 Ų158115.5 Ų115.560%0.59860%0.596SS**Hα-helixtrans-73.4-30178.9-75.577000112.8L2 V7 I9L2-W5 PolarHBondContact O-N 3.48Å; W5-V7 PolarHBondContact O-N 3.47Å; W5-I9 HydrophobicContact CB-CD1 4.5Å; W5-I9 HydrophobicContact CE3-CD1 4.22Å; W5-I9 HydrophobicContact CE3-CG1 4.39Å; W5-I9 WeakPolarHBondContact O-CD1 3.48Å; W5-I9 VanDerWaalsContact O-CG1 3.28Å; W5-I9 WeakPolarHBondContact O-CG1 3.47Å; W5-I9 PolarHBondContact O-N 3.33Å
6S76.6Confident75.7Confident71 Ų71112.5 Ų112.550%0.49759%0.585SS.*Hα-helixtrans-66.4-23.4177.957.20000113.8L2 L3 P10L2-S6 PolarHBondContact O-N 3.02Å; L3-S6 PolarHBondContact O-OG 3.15Å; S6-P10 WeakPolarHBondContact O-CD 3.42Å; S6-P10 VanDerWaalsContact O-CG 3.3Å; S6-P10 WeakPolarHBondContact O-CG 3.47Å
7V77.6Confident75.9Confident90 Ų90108.9 Ų108.955%0.54558%0.575SS.*Hα-helixtrans-95.7-36.8178.2-177.60000112W5 P10 I11W5-V7 PolarHBondContact O-N 3.47Å; V7-P10 WeakPolarHBondContact O-CD 3.44Å; V7-I11 HydrophobicContact CG1-CD1 3.98Å; V7-I11 WeakPolarHBondContact O-CD1 3.42Å; V7-I11 WeakPolarHBondContact O-CG1 3.4Å
8L77.5Confident75.9Confident92 Ų92104.5 Ų104.548%0.48256%0.561SS.*Hα-helixtrans-70.7-38.2-178.6-78.4166.9000113I4 I11 V12I4-L8 HydrophobicContact CG2-CD1 3.68Å; I4-L8 PolarHBondContact O-N 3.29Å; L8-I11 PolarHBondContact O-N 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.21Å; L8-V12 PolarHBondContact O-N 3.26Å
9I79.3Confident75.9Confident92 Ų92104.1 Ų104.147%0.47256%0.557SS.*Hα-helixtrans-61.1-50.2-178.2-66.9168000111.7W5 I11 V12 C13W5-I9 HydrophobicContact CB-CD1 4.5Å; W5-I9 HydrophobicContact CE3-CD1 4.22Å; W5-I9 HydrophobicContact CE3-CG1 4.39Å; W5-I9 WeakPolarHBondContact O-CD1 3.48Å; W5-I9 VanDerWaalsContact O-CG1 3.28Å; W5-I9 WeakPolarHBondContact O-CG1 3.47Å; W5-I9 PolarHBondContact O-N 3.33Å; I9-I11 VanDerWaalsContact C-N 3.33Å; I9-I11 PolarHBondContact O-N 2.79Å; I9-V12 PolarHBondContact O-N 3.42Å; I9-C13 WeakPolarHBondContact O-CB 3.38Å; I9-C13 PolarHBondContact O-N 3.31Å; I9-C13 PolarHBondContact O-SG 3.15Å; I9-C13 VanDerWaalsContact O-SG 3.35Å
10P78.5Confident75.6Confident64 Ų64104.5 Ų104.542%0.41656%0.558SS.*Hα-helixtrans-60.2-38.9177.7-23.832.1000113.7S6 V7 C13 L14S6-P10 WeakPolarHBondContact O-CD 3.42Å; S6-P10 VanDerWaalsContact O-CG 3.3Å; S6-P10 WeakPolarHBondContact O-CG 3.47Å; V7-P10 WeakPolarHBondContact O-CD 3.44Å; P10-C13 PolarHBondContact O-N 3.27Å; P10-L14 WeakPolarHBondContact O-CB 3.38Å; P10-L14 WeakPolarHBondContact O-CG 3.08Å; P10-L14 PolarHBondContact O-N 3.43Å
11I82.4Confident75.4Confident84 Ų84106 Ų10643%0.43156%0.56SS.*Hα-helixtrans-66.1-44.4-179.7-65.7171.2000110.4V7 L8 I9 L14 W15V7-I11 HydrophobicContact CG1-CD1 3.98Å; V7-I11 WeakPolarHBondContact O-CD1 3.42Å; V7-I11 WeakPolarHBondContact O-CG1 3.4Å; L8-I11 PolarHBondContact O-N 3.27Å; I9-I11 VanDerWaalsContact C-N 3.33Å; I9-I11 PolarHBondContact O-N 2.79Å; I11-L14 PolarHBondContact O-N 3.5Å; I11-W15 PolarHBondContact O-N 2.89Å
12V82.3Confident75.9Confident86 Ų86102.5 Ų102.552%0.52154%0.544SS..Hα-helixtrans-64.9-41.2176175.40000110.6L8 I9 L14 W15 T16L8-V12 WeakPolarHBondContact O-CG2 3.21Å; L8-V12 PolarHBondContact O-N 3.26Å; I9-V12 PolarHBondContact O-N 3.42Å; V12-L14 PolarHBondContact O-N 2.99Å; V12-W15 PolarHBondContact O-N 3.32Å; V12-T16 HydrophobicContact CG1-CG2 4.33Å; V12-T16 WeakPolarHBondContact O-CG2 3.45Å; V12-T16 PolarHBondContact O-N 3.42Å; V12-T16 PolarHBondContact O-OG1 2.98Å; V12-T16 VanDerWaalsContact O-OG1 3.09Å
13C81.6Confident75.4Confident70 Ų70103.3 Ų103.347%0.47354%0.535SS..Hα-helixtrans-62.5-38.9175.1-74.30000113.1I9 P10 T16 A17I9-C13 WeakPolarHBondContact O-CB 3.38Å; I9-C13 PolarHBondContact O-N 3.31Å; I9-C13 PolarHBondContact O-SG 3.15Å; I9-C13 VanDerWaalsContact O-SG 3.35Å; P10-C13 PolarHBondContact O-N 3.27Å; C13-T16 WeakPolarHBondContact CA-OG1 3.49Å; C13-T16 PolarHBondContact O-OG1 3.48Å; C13-T16 VanDerWaalsContact O-OG1 3.07Å; C13-A17 WeakPolarHBondContact O-CB 3.2Å; C13-A17 PolarHBondContact O-N 2.9Å
14L81.7Confident74.7Confident127 Ų127100.2 Ų100.267%0.66553%0.527SS*.Hα-helixtrans-69.2-38.5175.9-76.1167000111.7P10 I11 V12 G18P10-L14 WeakPolarHBondContact O-CB 3.38Å; P10-L14 WeakPolarHBondContact O-CG 3.08Å; P10-L14 PolarHBondContact O-N 3.43Å; I11-L14 PolarHBondContact O-N 3.5Å; V12-L14 PolarHBondContact O-N 2.99Å; L14-G18 PolarHBondContact O-N 3.16Å
15W81.2Confident73.8Confident183 Ų183102.5 Ų102.569%0.69353%0.533SS*.Hα-helixtrans-66.4-43.6174.2-94.780.3000112.2I11 V12 G18 I19I11-W15 PolarHBondContact O-N 2.89Å; V12-W15 PolarHBondContact O-N 3.32Å; W15-G18 PolarHBondContact O-N 3.13Å; W15-I19 HydrophobicContact CE3-CD1 4.29Å; W15-I19 WeakPolarHBondContact O-CB 3.41Å; W15-I19 VanDerWaalsContact O-CG1 3.26Å; W15-I19 WeakPolarHBondContact O-CG1 3.22Å; W15-I19 PolarHBondContact O-N 2.86Å
16T79.7Confident73Confident68 Ų68100.1 Ų100.142%0.41753%0.532SS..Hα-helixtrans-68.8-40.1176.955.40000111.5V12 C13 I19 I20V12-T16 HydrophobicContact CG1-CG2 4.33Å; V12-T16 WeakPolarHBondContact O-CG2 3.45Å; V12-T16 PolarHBondContact O-N 3.42Å; V12-T16 PolarHBondContact O-OG1 2.98Å; V12-T16 VanDerWaalsContact O-OG1 3.09Å; C13-T16 WeakPolarHBondContact CA-OG1 3.49Å; C13-T16 PolarHBondContact O-OG1 3.48Å; C13-T16 VanDerWaalsContact O-OG1 3.07Å; T16-I19 PolarHBondContact O-N 3.41Å; T16-I20 WeakPolarHBondContact O-CB 3.45Å; T16-I20 WeakPolarHBondContact O-CD1 3.49Å; T16-I20 WeakPolarHBondContact O-CG1 3.3Å; T16-I20 PolarHBondContact O-N 3.08Å
17A78.8Confident71.3Confident51 Ų51100.3 Ų100.342%0.42153%0.527SS..Hα-helixtrans-61.8-43.5173.100000111.4C13 I20 F21C13-A17 WeakPolarHBondContact O-CB 3.2Å; C13-A17 PolarHBondContact O-N 2.9Å; A17-I20 PolarHBondContact O-N 3.38Å; A17-F21 WeakPolarHBondContact O-CB 3.25Å; A17-F21 PolarHBondContact O-N 3.07Å
18G76.1Confident69.6Low30 Ų30103.2 Ų103.231%0.30954%0.54SS..Hα-helixtrans-62.6-42.9175.400000112.8L14 W15 F21 I22L14-G18 PolarHBondContact O-N 3.16Å; W15-G18 PolarHBondContact O-N 3.13Å; G18-F21 PolarHBondContact O-N 2.82Å; G18-I22 WeakPolarHBondContact O-CB 3.47Å; G18-I22 WeakPolarHBondContact O-CD1 3.22Å; G18-I22 WeakPolarHBondContact O-CG1 3.21Å; G18-I22 PolarHBondContact O-N 2.8Å
19I76.1Confident68.2Low96 Ų96102.2 Ų102.249%0.49253%0.534SS..Hα-helixtrans-64.6-46.9174.9-69.7167.6000110.5W15 T16 F21 I22 W23W15-I19 HydrophobicContact CE3-CD1 4.29Å; W15-I19 WeakPolarHBondContact O-CB 3.41Å; W15-I19 VanDerWaalsContact O-CG1 3.26Å; W15-I19 WeakPolarHBondContact O-CG1 3.22Å; W15-I19 PolarHBondContact O-N 2.86Å; T16-I19 PolarHBondContact O-N 3.41Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.37Å; I19-I22 PolarHBondContact O-N 2.83Å; I19-W23 VanDerWaalsContact O-CB 3.28Å; I19-W23 WeakPolarHBondContact O-CB 3.43Å; I19-W23 PolarHBondContact O-N 3.32Å
20I70.4Confident66.7Low113 Ų113100.7 Ų100.758%0.57953%0.532SS*.Hα-helixtrans-61.8-40.2177.4-69.1164.7000110.5T16 A17 W23 S24T16-I20 WeakPolarHBondContact O-CB 3.45Å; T16-I20 WeakPolarHBondContact O-CD1 3.49Å; T16-I20 WeakPolarHBondContact O-CG1 3.3Å; T16-I20 PolarHBondContact O-N 3.08Å; A17-I20 PolarHBondContact O-N 3.38Å; I20-W23 PolarHBondContact O-N 3.46Å; I20-S24 WeakPolarHBondContact O-CB 3.45Å; I20-S24 PolarHBondContact O-N 2.73Å
21F71Confident65.4Low137 Ų137101.3 Ų101.360%0.60153%0.531SS*.Hα-helixtrans-66.9-43.9178.7-159.7-94000111.3A17 G18 I19 S24 F25A17-F21 WeakPolarHBondContact O-CB 3.25Å; A17-F21 PolarHBondContact O-N 3.07Å; G18-F21 PolarHBondContact O-N 2.82Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.37Å; F21-S24 PolarHBondContact O-N 2.77Å; F21-F25 AromaticContact CD1-CD2 3.92Å; F21-F25 HydrophobicContact CD1-CD2 3.92Å; F21-F25 HydrophobicContact CD1-CE2 4.07Å; F21-F25 AromaticContact CE1-CD2 3.72Å; F21-F25 HydrophobicContact CE1-CD2 3.72Å; F21-F25 AromaticContact CE1-CE2 3.42Å; F21-F25 HydrophobicContact CE1-CE2 3.42Å; F21-F25 VanDerWaalsContact CE1-CE2 3.42Å; F21-F25 HydrophobicContact CE1-CZ 4.45Å; F21-F25 HydrophobicContact CE2-CE2 4.21Å; F21-F25 HydrophobicContact CZ-CD2 4.2Å; F21-F25 AromaticContact CZ-CE2 3.51Å; F21-F25 HydrophobicContact CZ-CE2 3.51Å; F21-F25 HydrophobicContact CZ-CZ 4.44Å; F21-F25 WeakPolarHBondContact O-CD2 3.5Å; F21-F25 PolarHBondContact O-N 2.95Å
22I66.2Low64Low116 Ų116104.1 Ų104.160%0.59555%0.547SS*.Hα-helixtrans-62.5-43.6173.2-68.4165.6000110.4G18 I19 S24 F25 D26G18-I22 WeakPolarHBondContact O-CB 3.47Å; G18-I22 WeakPolarHBondContact O-CD1 3.22Å; G18-I22 WeakPolarHBondContact O-CG1 3.21Å; G18-I22 PolarHBondContact O-N 2.8Å; I19-I22 PolarHBondContact O-N 2.83Å; I22-S24 VanDerWaalsContact C-N 3.35Å; I22-S24 PolarHBondContact O-N 3.37Å; I22-F25 PolarHBondContact O-N 3.12Å; I22-D26 WeakPolarHBondContact O-CB 3.5Å; I22-D26 PolarHBondContact O-N 3.03Å
23W55.2Low63.1Low181 Ų181107.2 Ų107.269%0.68656%0.561SS**Hα-helixtrans-68.1-35179.4-133.764.3000112.5I19 I20 F25 D26 N27I19-W23 VanDerWaalsContact O-CB 3.28Å; I19-W23 WeakPolarHBondContact O-CB 3.43Å; I19-W23 PolarHBondContact O-N 3.32Å; I20-W23 PolarHBondContact O-N 3.46Å; W23-F25 VanDerWaalsContact C-N 3.34Å; W23-D26 PolarHBondContact O-N 3.33Å; W23-N27 VanDerWaalsContact CE2-ND2 3.34Å; W23-N27 WeakPolarHBondContact O-CB 3.39Å; W23-N27 PolarHBondContact O-N 3.27Å
24S54.5Low62.5Low87 Ų87109 Ų10961%0.60856%0.558SS**Hα-helixtrans-73.8-24.1177.8-168.40000112.9I20 F21 I22I20-S24 WeakPolarHBondContact O-CB 3.45Å; I20-S24 PolarHBondContact O-N 2.73Å; F21-S24 PolarHBondContact O-N 2.77Å; I22-S24 VanDerWaalsContact C-N 3.35Å; I22-S24 PolarHBondContact O-N 3.37Å
25F54.7Low62.8Low157 Ų157105.6 Ų105.669%0.68955%0.545SS*.Hα-helixtrans-84.5-29.1171.3-94.8-85.6000113.1F21 I22 W23F21-F25 AromaticContact CD1-CD2 3.92Å; F21-F25 HydrophobicContact CD1-CD2 3.92Å; F21-F25 HydrophobicContact CD1-CE2 4.07Å; F21-F25 AromaticContact CE1-CD2 3.72Å; F21-F25 HydrophobicContact CE1-CD2 3.72Å; F21-F25 AromaticContact CE1-CE2 3.42Å; F21-F25 HydrophobicContact CE1-CE2 3.42Å; F21-F25 VanDerWaalsContact CE1-CE2 3.42Å; F21-F25 HydrophobicContact CE1-CZ 4.45Å; F21-F25 HydrophobicContact CE2-CE2 4.21Å; F21-F25 HydrophobicContact CZ-CD2 4.2Å; F21-F25 AromaticContact CZ-CE2 3.51Å; F21-F25 HydrophobicContact CZ-CE2 3.51Å; F21-F25 HydrophobicContact CZ-CZ 4.44Å; F21-F25 WeakPolarHBondContact O-CD2 3.5Å; F21-F25 PolarHBondContact O-N 2.95Å; I22-F25 PolarHBondContact O-N 3.12Å; W23-F25 VanDerWaalsContact C-N 3.34Å
26D51.1Low63.2Low108 Ų108101 Ų10158%0.57853%0.533SS*.Hα-helixtrans-87.2-29.9-177.8-136.53.9000112.9I22 W23I22-D26 WeakPolarHBondContact O-CB 3.5Å; I22-D26 PolarHBondContact O-N 3.03Å; W23-D26 PolarHBondContact O-N 3.33Å
27N41.1Very low63.8Low74 Ų74101.4 Ų101.440%0.39653%0.53SS..SBendtrans-109.479.5-178.8-71.8-36.9000112.2W23W23-N27 VanDerWaalsContact CE2-ND2 3.34Å; W23-N27 WeakPolarHBondContact O-CB 3.39Å; W23-N27 PolarHBondContact O-N 3.27Å
28N41.9Very low64.5Low151 Ų151102.3 Ų102.381%0.80753%0.527SS*.  trans170.961142.3-86.5-28.4000110.8S30N28-S30 PolarHBondContact O-N 2.79Å
29I47.8Very low65.3Low72 Ų72101.2 Ų101.237%0.36952%0.515SS..  trans-74.278.1155.5-55.6175.2000106.4L31 V44I29-L31 PolarHBondContact O-N 2.78Å; I29-V44 HydrophobicContact CG2-CG1 4.03Å
30S47.4Very low66.2Low60 Ų6097.3 Ų97.342%0.4250%0.495SS..  trans-61.8117.8167.9168.50000107.9N28 N32N28-S30 PolarHBondContact O-N 2.79Å; S30-N32 PolarHBondContact O-N 2.7Å; S30-N32 WeakPolarHBondContact OG-CB 3.42Å; S30-N32 PolarHBondContact OG-N 2.73Å
31L51.7Low67.3Low76 Ų7693.5 Ų93.540%0.39848%0.479SS..G310 helixtrans-58.5-13.8173.7-80.8158.5000112.8I29 N33 V44 P95I29-L31 PolarHBondContact O-N 2.78Å; L31-N33 VanDerWaalsContact C-N 3.27Å; L31-N33 PolarHBondContact O-N 3.45Å; L31-V44 HydrophobicContact CD2-CB 4.48Å; L31-V44 HydrophobicContact CD2-CG1 3.62Å; L31-V44 HydrophobicContact CG-CG1 4.42Å; L31-P95 HydrophobicContact CD2-CG 4.46Å
32N53.1Low68.4Low144 Ų14491.3 Ų91.377%0.7747%0.47SS*.G310 helixtrans-72.5-10.1-167.1-70.3-8000115.3S30S30-N32 PolarHBondContact O-N 2.7Å; S30-N32 WeakPolarHBondContact OG-CB 3.42Å; S30-N32 PolarHBondContact OG-N 2.73Å
33N63.9Low69.7Low151 Ų15186.4 Ų86.481%0.80745%0.445SS*.G310 helixtrans-107.3-11.1-176.4-77.92.7000115.6L31L31-N33 VanDerWaalsContact C-N 3.27Å; L31-N33 PolarHBondContact O-N 3.45Å
34Y69.3Low71.6Confident107 Ų10778 Ų7842%0.4241%0.414SS..SBendtrans-92.5142-178.7-74.9-75.1000111.1D38 S39 E42 V44Y34-D38 HydrophobicContact CD1-CB 3.56Å; Y34-D38 HydrophobicContact CE1-CB 4.43Å; Y34-D38 HydrophobicContact CG-CB 4.33Å; Y34-S39 WeakPolarHBondContact CB-OG 3.39Å; Y34-E42 HydrophobicContact CE1-CG 4Å; Y34-V44 HydrophobicContact CD2-CG2 4.47Å
35S88.5Confident73.6Confident55 Ų5574.5 Ų74.539%0.38539%0.387SS..  trans-62.6161.1160.877.30000109.6F37 D38 S39S35-F37 PolarHBondContact O-N 3.45Å; S35-F37 PolarHBondContact OG-N 3.13Å; S35-D38 VanDerWaalsContact CB-OD2 3.32Å; S35-D38 WeakPolarHBondContact CB-OD2 3.43Å; S35-D38 PolarHBondContact N-OD2 3.24Å; S35-D38 PolarHBondContact O-N 3.23Å; S35-D38 PolarHBondContact OG-N 3.43Å; S35-D38 VanDerWaalsContact OG-N 3.07Å; S35-D38 PolarHBondContact OG-OD2 3.1Å; S35-S39 WeakPolarHBondContact O-CB 3.47Å; S35-S39 PolarHBondContact O-N 3.41Å; S35-S39 PolarHBondContact O-OG 3.36Å
36L89.2Confident75.6Confident87 Ų8767.2 Ų67.246%0.45536%0.355SS..Hα-helixtrans-58.2-38.2174.9179.658.2000111.3S39 V40 F90 P95L36-S39 PolarHBondContact O-N 2.87Å; L36-V40 WeakPolarHBondContact O-CG2 3.41Å; L36-V40 PolarHBondContact O-N 3.31Å; L36-V40 VanDerWaalsContact O-N 3.14Å; L36-F90 HydrophobicContact CD2-CB 4.09Å; L36-F90 HydrophobicContact CD2-CD2 3.55Å; L36-F90 HydrophobicContact CD2-CE2 4.36Å; L36-F90 HydrophobicContact CD2-CG 4.21Å; L36-F90 HydrophobicContact CG-CD2 3.61Å; L36-F90 HydrophobicContact CG-CE2 4.04Å; L36-F90 HydrophobicContact CG-CG 4.3Å; L36-P95 HydrophobicContact CD1-CB 3.78Å
37F92Very high77.7Confident77 Ų7765.3 Ų65.334%0.33834%0.342SS..Hα-helixtrans-62.5-49.4175.8-177.1-88.9000111.3S35 S39 V40 C41 I86 F90S35-F37 PolarHBondContact O-N 3.45Å; S35-F37 PolarHBondContact OG-N 3.13Å; F37-S39 VanDerWaalsContact C-N 3.29Å; F37-S39 PolarHBondContact O-N 3.31Å; F37-V40 WeakPolarHBondContact O-CB 3.2Å; F37-V40 PolarHBondContact O-N 3.31Å; F37-C41 WeakPolarHBondContact CE1-SG 3.44Å; F37-C41 PolarHBondContact O-N 3.02Å; F37-C41 PolarHBondContact O-SG 3.12Å; F37-I86 HydrophobicContact CE2-CG2 4.23Å; F37-F90 HydrophobicContact CB-CE2 4.16Å; F37-F90 HydrophobicContact CB-CZ 4.12Å; F37-F90 HydrophobicContact CD2-CE2 4.35Å; F37-F90 AromaticContact CD2-CZ 3.69Å; F37-F90 HydrophobicContact CD2-CZ 3.69Å; F37-F90 HydrophobicContact CG-CZ 4.3Å
38D93.2Very high80.3Confident70 Ų7064 Ų6437%0.37433%0.333SS..Hα-helixtrans-64.9-35.7179.7-54.6-41000111.6Y34 S35 V40 C41 E42Y34-D38 HydrophobicContact CD1-CB 3.56Å; Y34-D38 HydrophobicContact CE1-CB 4.43Å; Y34-D38 HydrophobicContact CG-CB 4.33Å; S35-D38 VanDerWaalsContact CB-OD2 3.32Å; S35-D38 WeakPolarHBondContact CB-OD2 3.43Å; S35-D38 PolarHBondContact N-OD2 3.24Å; S35-D38 PolarHBondContact O-N 3.23Å; S35-D38 PolarHBondContact OG-N 3.43Å; S35-D38 VanDerWaalsContact OG-N 3.07Å; S35-D38 PolarHBondContact OG-OD2 3.1Å; D38-V40 VanDerWaalsContact C-N 3.3Å; D38-V40 PolarHBondContact O-N 2.97Å; D38-C41 PolarHBondContact O-N 3.48Å; D38-E42 WeakPolarHBondContact O-CB 3.43Å; D38-E42 PolarHBondContact O-N 3.17Å
39S94Very high82.9Confident6 Ų657 Ų574%0.04230%0.296CS..Hα-helixtrans-62.7-37.4176.6-59.70000112.4Y34 S35 L36 F37 N43 V44 P95Y34-S39 WeakPolarHBondContact CB-OG 3.39Å; S35-S39 WeakPolarHBondContact O-CB 3.47Å; S35-S39 PolarHBondContact O-N 3.41Å; S35-S39 PolarHBondContact O-OG 3.36Å; L36-S39 PolarHBondContact O-N 2.87Å; F37-S39 VanDerWaalsContact C-N 3.29Å; F37-S39 PolarHBondContact O-N 3.31Å; S39-N43 PolarHBondContact O-N 3.01Å; S39-V44 PolarHBondContact O-N 3.06Å; S39-P95 VanDerWaalsContact CB-CB 3.44Å
40V94.3Very high85.2Confident14 Ų1454.4 Ų54.49%0.08528%0.284CS..Hα-helixtrans-67.8-46.4172.61710000110.1L36 F37 D38 N43 F90 P95 I97L36-V40 WeakPolarHBondContact O-CG2 3.41Å; L36-V40 PolarHBondContact O-N 3.31Å; L36-V40 VanDerWaalsContact O-N 3.14Å; F37-V40 WeakPolarHBondContact O-CB 3.2Å; F37-V40 PolarHBondContact O-N 3.31Å; D38-V40 VanDerWaalsContact C-N 3.3Å; D38-V40 PolarHBondContact O-N 2.97Å; V40-N43 PolarHBondContact O-N 3.14Å; V40-N43 VanDerWaalsContact O-N 3.09Å; V40-F90 HydrophobicContact CB-CE1 4.17Å; V40-F90 HydrophobicContact CB-CZ 4.47Å; V40-F90 HydrophobicContact CG1-CE1 4.08Å; V40-F90 HydrophobicContact CG2-CD1 3.95Å; V40-F90 HydrophobicContact CG2-CE1 3.8Å; V40-F90 HydrophobicContact CG2-CG 4.49Å; V40-F90 HydrophobicContact CG2-CZ 4.2Å; V40-P95 VanDerWaalsContact CG2-C 3.47Å; V40-I97 HydrophobicContact CG1-CD1 4.48Å; V40-I97 HydrophobicContact CG1-CG1 4.01Å
41C93.6Very high87.4Confident34 Ų3455.3 Ų55.323%0.2328%0.281CS..Hα-helixtrans-66.7-38.8-177.1-67.60000113.9F37 D38 N43 C188F37-C41 WeakPolarHBondContact CE1-SG 3.44Å; F37-C41 PolarHBondContact O-N 3.02Å; F37-C41 PolarHBondContact O-SG 3.12Å; D38-C41 PolarHBondContact O-N 3.48Å; C41-N43 PolarHBondContact O-N 3.24Å; C41-C188 WeakPolarHBondContact CA-SG 2.91Å; C41-C188 HydrophobicContact CB-CB 3.55Å; C41-C188 WeakPolarHBondContact CB-SG 3.37Å; C41-C188 WeakPolarHBondContact SG-CB 3.02Å; C41-C188 CovalentContact SG-SG 2.02Å; C41-C188 PolarHBondContact SG-SG 2.81Å
42E92.8Very high89.5Confident90 Ų9053.9 Ų53.942%0.42128%0.278SS..THydrogen-bonded Turntrans-79.8-0.9174.2-72.8-55.4140.400113.2Y34 D38 V44 K47Y34-E42 HydrophobicContact CE1-CG 4Å; D38-E42 WeakPolarHBondContact O-CB 3.43Å; D38-E42 PolarHBondContact O-N 3.17Å; E42-V44 HydrophobicContact CB-CG2 3.86Å; E42-V44 PolarHBondContact O-N 3.34Å; E42-K47 WeakPolarHBondContact O-CD 3.22Å; E42-K47 VanDerWaalsContact O-CE 3.25Å; E42-K47 WeakPolarHBondContact O-CE 3.4Å; E42-K47 PolarHBondContact O-NZ 3.25Å; E42-K47 IonicContact OE2-NZ 2.87Å
43N94Very high91.4Very high13 Ų1353.5 Ų53.57%0.0727%0.265CS..THydrogen-bonded Turntrans52.741.7179.5-169.627.3000113.1S39 V40 C41 Y45 F46 K47 L178 R179S39-N43 PolarHBondContact O-N 3.01Å; V40-N43 PolarHBondContact O-N 3.14Å; V40-N43 VanDerWaalsContact O-N 3.09Å; C41-N43 PolarHBondContact O-N 3.24Å; N43-Y45 VanDerWaalsContact C-N 3.31Å; N43-Y45 PolarHBondContact O-N 2.76Å; N43-F46 PolarHBondContact O-N 3.33Å; N43-F46 VanDerWaalsContact OD1-CB 3.26Å; N43-F46 WeakPolarHBondContact OD1-CB 3.43Å; N43-K47 WeakPolarHBondContact O-CG 3.35Å; N43-K47 PolarHBondContact O-N 2.79Å; N43-K47 VanDerWaalsContact O-N 3.09Å; N43-L178 PolarHBondContact OD1-O 2.83Å; N43-R179 WeakPolarHBondContact ND2-CD 3.47Å
44V95.1Very high92.8Very high4 Ų456.6 Ų56.62%0.02427%0.266CS..Hα-helixtrans-60.8-42.1-169.91770000111.2I29 L31 Y34 S39 E42 K47 Q48I29-V44 HydrophobicContact CG2-CG1 4.03Å; L31-V44 HydrophobicContact CD2-CB 4.48Å; L31-V44 HydrophobicContact CD2-CG1 3.62Å; L31-V44 HydrophobicContact CG-CG1 4.42Å; Y34-V44 HydrophobicContact CD2-CG2 4.47Å; S39-V44 PolarHBondContact O-N 3.06Å; E42-V44 HydrophobicContact CB-CG2 3.86Å; E42-V44 PolarHBondContact O-N 3.34Å; V44-K47 PolarHBondContact O-N 2.8Å; V44-Q48 HydrophobicContact CG1-CG 4.46Å; V44-Q48 WeakPolarHBondContact O-CG 3.46Å; V44-Q48 PolarHBondContact O-N 2.96Å
45Y96.4Very high94.1Very high15 Ų1552.9 Ų52.96%0.05926%0.256CS..Hα-helixtrans-62.3-49.3-177.1-172.4-104.1000112.2N43 Q48 C49 I63 F94 V96 L178N43-Y45 VanDerWaalsContact C-N 3.31Å; N43-Y45 PolarHBondContact O-N 2.76Å; Y45-Q48 WeakPolarHBondContact O-CB 3.39Å; Y45-Q48 PolarHBondContact O-N 2.71Å; Y45-C49 PolarHBondContact O-N 3.07Å; Y45-C49 PolarHBondContact O-SG 2.98Å; Y45-I63 HydrophobicContact CE1-CD1 4.41Å; Y45-F94 HydrophobicContact CD2-CB 4.1Å; Y45-F94 HydrophobicContact CD2-CD1 4.21Å; Y45-F94 HydrophobicContact CD2-CG 4.31Å; Y45-F94 HydrophobicContact CE1-CB 4.47Å; Y45-F94 HydrophobicContact CE1-CD2 4.42Å; Y45-F94 HydrophobicContact CE1-CG 4.26Å; Y45-F94 HydrophobicContact CE2-CB 4.01Å; Y45-F94 AromaticContact CE2-CD1 3.39Å; Y45-F94 HydrophobicContact CE2-CD1 3.39Å; Y45-F94 HydrophobicContact CE2-CD2 4.49Å; Y45-F94 HydrophobicContact CE2-CE1 4.02Å; Y45-F94 AromaticContact CE2-CG 3.7Å; Y45-F94 HydrophobicContact CE2-CG 3.7Å; Y45-F94 HydrophobicContact CG-CB 4.34Å; Y45-F94 AromaticContact CZ-CD1 3.66Å; Y45-F94 AromaticContact CZ-CG 3.67Å; Y45-F94 WeakPolarHBondContact OH-CE1 3.29Å; Y45-V96 HydrophobicContact CD1-CG1 3.74Å; Y45-V96 HydrophobicContact CG-CG1 3.96Å; Y45-L178 HydrophobicContact CD1-CD2 4.18Å; Y45-L178 HydrophobicContact CE1-CD2 4.21Å
46F96.4Very high94.4Very high4 Ų450.7 Ų50.72%0.01824%0.239CC..Hα-helixtrans-70-37.7-178.7-174-117.6000111.9N43 Q48 C49 T50 L178 R179 I273 A277 I288N43-F46 PolarHBondContact O-N 3.33Å; N43-F46 VanDerWaalsContact OD1-CB 3.26Å; N43-F46 WeakPolarHBondContact OD1-CB 3.43Å; F46-Q48 VanDerWaalsContact C-N 3.29Å; F46-Q48 PolarHBondContact O-N 3.06Å; F46-C49 HydrophobicContact CD2-CB 4.47Å; F46-C49 CarbonylContact O-C 3.5Å; F46-C49 WeakPolarHBondContact O-CA 3.49Å; F46-C49 WeakPolarHBondContact O-CB 3.29Å; F46-C49 PolarHBondContact O-N 3.24Å; F46-T50 HydrophobicContact CD1-CG2 4.46Å; F46-T50 HydrophobicContact CD2-CG2 4.32Å; F46-T50 HydrophobicContact CE1-CG2 4.17Å; F46-T50 HydrophobicContact CE2-CG2 4.01Å; F46-T50 HydrophobicContact CZ-CG2 3.93Å; F46-T50 WeakPolarHBondContact O-CG2 3.22Å; F46-T50 PolarHBondContact O-N 3.24Å; F46-T50 PolarHBondContact O-OG1 2.98Å; F46-T50 VanDerWaalsContact O-OG1 3.12Å; F46-L178 HydrophobicContact CB-CB 4.37Å; F46-L178 WeakPolarHBondContact CB-O 3.41Å; F46-L178 HydrophobicContact CD2-CB 3.67Å; F46-L178 HydrophobicContact CD2-CD1 4.04Å; F46-L178 HydrophobicContact CD2-CG 4.37Å; F46-L178 HydrophobicContact CE2-CB 4.14Å; F46-L178 HydrophobicContact CE2-CD1 4.12Å; F46-L178 HydrophobicContact CG-CB 4.12Å; F46-L178 WeakPolarHBondContact CG-O 3.31Å; F46-R179 HydrophobicContact CD1-CB 4.25Å; F46-R179 HydrophobicContact CE1-CB 4.38Å; F46-I273 HydrophobicContact CE2-CD1 3.71Å; F46-I273 HydrophobicContact CE2-CG1 3.88Å; F46-I273 HydrophobicContact CZ-CD1 3.53Å; F46-I273 HydrophobicContact CZ-CG1 3.9Å; F46-A277 HydrophobicContact CD1-CB 4.37Å; F46-A277 HydrophobicContact CE1-CB 3.65Å; F46-A277 HydrophobicContact CZ-CB 4.29Å; F46-I288 HydrophobicContact CE1-CD1 3.57Å; F46-I288 HydrophobicContact CE2-CG2 4.41Å; F46-I288 HydrophobicContact CZ-CD1 3.6Å; F46-I288 HydrophobicContact CZ-CG2 4.23Å
47K96.3Very high94.7Very high68 Ų6848.8 Ų48.830%0.29623%0.229SC..Hα-helixtrans-54.6-45.9170.7-75.9175.2178165.40111.2E42 N43 V44 T50 Q51E42-K47 WeakPolarHBondContact O-CD 3.22Å; E42-K47 VanDerWaalsContact O-CE 3.25Å; E42-K47 WeakPolarHBondContact O-CE 3.4Å; E42-K47 PolarHBondContact O-NZ 3.25Å; E42-K47 IonicContact OE2-NZ 2.87Å; N43-K47 WeakPolarHBondContact O-CG 3.35Å; N43-K47 PolarHBondContact O-N 2.79Å; N43-K47 VanDerWaalsContact O-N 3.09Å; V44-K47 PolarHBondContact O-N 2.8Å; K47-T50 CarbonylContact O-C 3.51Å; K47-T50 WeakPolarHBondContact O-CA 3.37Å; K47-T50 PolarHBondContact O-N 3.06Å; K47-T50 PolarHBondContact O-OG1 3.45Å; K47-Q51 WeakPolarHBondContact O-CG 3.35Å; K47-Q51 PolarHBondContact O-N 2.98Å; K47-Q51 VanDerWaalsContact O-N 3.1Å
48Q96Very high94.8Very high46 Ų4651.7 Ų51.722%0.21524%0.241CC..Hα-helixtrans-62.1-43.3174.4-72.9175.9-0.700112.2V44 Y45 F46 T50 Q51 S55V44-Q48 HydrophobicContact CG1-CG 4.46Å; V44-Q48 WeakPolarHBondContact O-CG 3.46Å; V44-Q48 PolarHBondContact O-N 2.96Å; Y45-Q48 WeakPolarHBondContact O-CB 3.39Å; Y45-Q48 PolarHBondContact O-N 2.71Å; F46-Q48 VanDerWaalsContact C-N 3.29Å; F46-Q48 PolarHBondContact O-N 3.06Å; Q48-T50 PolarHBondContact O-N 2.87Å; Q48-Q51 PolarHBondContact O-N 3.16Å; Q48-S55 WeakPolarHBondContact O-CB 3.17Å
49C95.5Very high94.9Very high4 Ų448.9 Ų48.93%0.02723%0.227CC..Hα-helixtrans-57.5-32.6173.4-59.60000111.8Y45 F46 W56 C59 W270Y45-C49 PolarHBondContact O-N 3.07Å; Y45-C49 PolarHBondContact O-SG 2.98Å; F46-C49 HydrophobicContact CD2-CB 4.47Å; F46-C49 CarbonylContact O-C 3.5Å; F46-C49 WeakPolarHBondContact O-CA 3.49Å; F46-C49 WeakPolarHBondContact O-CB 3.29Å; F46-C49 PolarHBondContact O-N 3.24Å; C49-W56 VanDerWaalsContact O-CA 3.28Å; C49-W56 WeakPolarHBondContact O-CA 3.5Å; C49-W56 WeakPolarHBondContact O-CB 3.28Å; C49-W56 PolarHBondContact O-N 3.25Å; C49-W56 VanDerWaalsContact O-N 3.14Å; C49-C59 WeakPolarHBondContact CA-SG 3.46Å; C49-C59 HydrophobicContact CB-CB 3.69Å; C49-C59 WeakPolarHBondContact CB-SG 3.33Å; C49-C59 WeakPolarHBondContact SG-CB 3.34Å; C49-C59 CovalentContact SG-SG 2.03Å; C49-C59 PolarHBondContact SG-SG 3.27Å; C49-W270 WeakPolarHBondContact O-CH2 3.36Å; C49-W270 WeakPolarHBondContact O-CZ3 3.36Å
50T95.5Very high94.9Very high17 Ų1748.9 Ų48.910%0.10423%0.227CC..THydrogen-bonded Turntrans-98.414.1-177.665.70000116.8F46 K47 Q48 W270 I273 A277F46-T50 HydrophobicContact CD1-CG2 4.46Å; F46-T50 HydrophobicContact CD2-CG2 4.32Å; F46-T50 HydrophobicContact CE1-CG2 4.17Å; F46-T50 HydrophobicContact CE2-CG2 4.01Å; F46-T50 HydrophobicContact CZ-CG2 3.93Å; F46-T50 WeakPolarHBondContact O-CG2 3.22Å; F46-T50 PolarHBondContact O-N 3.24Å; F46-T50 PolarHBondContact O-OG1 2.98Å; F46-T50 VanDerWaalsContact O-OG1 3.12Å; K47-T50 CarbonylContact O-C 3.51Å; K47-T50 WeakPolarHBondContact O-CA 3.37Å; K47-T50 PolarHBondContact O-N 3.06Å; K47-T50 PolarHBondContact O-OG1 3.45Å; Q48-T50 PolarHBondContact O-N 2.87Å; T50-W270 VanDerWaalsContact CA-CZ3 3.45Å; T50-W270 HydrophobicContact CG2-CZ3 4.48Å; T50-W270 WeakPolarHBondContact O-CH2 3.47Å; T50-W270 VanDerWaalsContact O-CZ2 3.32Å; T50-W270 WeakPolarHBondContact O-CZ2 3.44Å; T50-I273 HydrophobicContact CG2-CG1 3.89Å; T50-I273 HydrophobicContact CG2-CG2 4.36Å; T50-A277 HydrophobicContact CG2-CB 3.9Å
51Q95Very high94.9Very high80 Ų8053.3 Ų53.337%0.37425%0.25SS..THydrogen-bonded Turntrans-76-49.1168.3-76.5169.2-17.200116K47 Q48 W270K47-Q51 WeakPolarHBondContact O-CG 3.35Å; K47-Q51 PolarHBondContact O-N 2.98Å; K47-Q51 VanDerWaalsContact O-N 3.1Å; Q48-Q51 PolarHBondContact O-N 3.16Å; Q51-W270 VanDerWaalsContact C-CH2 3.45Å; Q51-W270 WeakPolarHBondContact O-CZ2 3.02Å
52S94.3Very high95Very high46 Ų4652.9 Ų52.932%0.32225%0.246SC..  trans-143.6160.518077.60000113R54 S55 W56 W270S52-R54 PolarHBondContact O-N 2.99Å; S52-R54 PolarHBondContact OG-N 2.73Å; S52-S55 WeakPolarHBondContact O-CB 3.47Å; S52-S55 PolarHBondContact O-N 2.92Å; S52-S55 PolarHBondContact OG-N 2.77Å; S52-S55 VanDerWaalsContact OG-N 3.08Å; S52-S55 PolarHBondContact OG-OG 3.03Å; S52-W56 PolarHBondContact O-N 3.42Å; S52-W270 VanDerWaalsContact C-CE2 3.49Å; S52-W270 VanDerWaalsContact O-CH2 3.25Å; S52-W270 WeakPolarHBondContact O-CH2 3.18Å; S52-W270 WeakPolarHBondContact O-CZ3 3.06Å
53R93.2Very high94.9Very high135 Ų13549.2 Ų49.251%0.50923%0.229SC..Hα-helixtrans-52.2-39.3171.8-177.9177-175.2-106.40.9112.1W56 L57 W270R53-W56 PolarHBondContact O-N 2.97Å; R53-L57 HydrophobicContact CG-CD1 4.28Å; R53-L57 VanDerWaalsContact O-CG 3.3Å; R53-L57 WeakPolarHBondContact O-CG 3.24Å; R53-L57 PolarHBondContact O-N 3.12Å; R53-W270 HydrophobicContact CB-CB 4.01Å; R53-W270 HydrophobicContact CB-CD2 4.36Å; R53-W270 HydrophobicContact CB-CG 3.78Å; R53-W270 HydrophobicContact CG-CB 4.03Å; R53-W270 HydrophobicContact CG-CG 4.35Å
54R95.2Very high94.8Very high216 Ų21652.1 Ų52.182%0.81524%0.244SC*.Hα-helixtrans-65.6-43.2177.7-175.2-179.4-178.4-1760.8111.4S52 K58S52-R54 PolarHBondContact O-N 2.99Å; S52-R54 PolarHBondContact OG-N 2.73Å; R54-K58 WeakPolarHBondContact O-CB 3.43Å; R54-K58 PolarHBondContact O-N 3.07Å
55S95.7Very high94.5Very high30 Ų3057.6 Ų57.621%0.2126%0.264CS..Hα-helixtrans-63.3-43.3177.5-52.20000111.4Q48 S52 K58 C59Q48-S55 WeakPolarHBondContact O-CB 3.17Å; S52-S55 WeakPolarHBondContact O-CB 3.47Å; S52-S55 PolarHBondContact O-N 2.92Å; S52-S55 PolarHBondContact OG-N 2.77Å; S52-S55 VanDerWaalsContact OG-N 3.08Å; S52-S55 PolarHBondContact OG-OG 3.03Å; S55-K58 WeakPolarHBondContact O-CB 3.46Å; S55-K58 PolarHBondContact O-N 3.45Å; S55-C59 PolarHBondContact O-N 3.38Å; S55-C59 PolarHBondContact O-SG 2.93Å
56W94.7Very high93.4Very high8 Ų862.7 Ų62.73%0.0330%0.299CS..Hα-helixtrans-61.1-50176171.763000113C49 S52 R53 K58 C59 I60 P237 P239 R269 W270 I273C49-W56 VanDerWaalsContact O-CA 3.28Å; C49-W56 WeakPolarHBondContact O-CA 3.5Å; C49-W56 WeakPolarHBondContact O-CB 3.28Å; C49-W56 PolarHBondContact O-N 3.25Å; C49-W56 VanDerWaalsContact O-N 3.14Å; S52-W56 PolarHBondContact O-N 3.42Å; R53-W56 PolarHBondContact O-N 2.97Å; W56-K58 VanDerWaalsContact C-N 3.26Å; W56-K58 PolarHBondContact O-N 3.07Å; W56-C59 WeakPolarHBondContact O-CB 3.23Å; W56-C59 PolarHBondContact O-N 3.23Å; W56-C59 VanDerWaalsContact O-N 3.09Å; W56-I60 HydrophobicContact CG-CG1 4.49Å; W56-I60 WeakPolarHBondContact O-CG1 3.33Å; W56-I60 PolarHBondContact O-N 3.26Å; W56-P237 WeakPolarHBondContact CZ2-O 3.44Å; W56-P239 HydrophobicContact CH2-CB 3.8Å; W56-P239 HydrophobicContact CZ3-CB 3.98Å; W56-R269 HydrophobicContact CH2-CB 3.73Å; W56-R269 HydrophobicContact CZ2-CB 4.43Å; W56-R269 HydrophobicContact CZ3-CB 4.4Å; W56-W270 HydrophobicContact CB-CD2 4.48Å; W56-W270 HydrophobicContact CB-CE3 3.43Å; W56-W270 VanDerWaalsContact CB-CE3 3.43Å; W56-W270 HydrophobicContact CB-CZ3 3.5Å; W56-W270 VanDerWaalsContact CB-CZ3 3.5Å; W56-W270 HydrophobicContact CD2-CE3 4.34Å; W56-W270 HydrophobicContact CE3-CB 3.96Å; W56-W270 AromaticContact CG-CE3 3.86Å; W56-W270 HydrophobicContact CG-CE3 3.86Å; W56-W270 HydrophobicContact CG-CZ3 4.21Å; W56-W270 HydrophobicContact CZ3-CB 4.26Å; W56-I273 HydrophobicContact CD2-CG2 4.42Å; W56-I273 HydrophobicContact CG-CG2 4Å
57L94.8Very high91.9Very high47 Ų4767.1 Ų67.125%0.24632%0.323CS..Hα-helixtrans-57.6-41.5176.4-70.9173.5000111.5R53 I60 N61 P239R53-L57 HydrophobicContact CG-CD1 4.28Å; R53-L57 VanDerWaalsContact O-CG 3.3Å; R53-L57 WeakPolarHBondContact O-CG 3.24Å; R53-L57 PolarHBondContact O-N 3.12Å; L57-I60 PolarHBondContact O-N 2.68Å; L57-N61 WeakPolarHBondContact O-CB 3.5Å; L57-N61 VanDerWaalsContact O-CG 3.25Å; L57-N61 PolarHBondContact O-N 3.28Å; L57-N61 PolarHBondContact O-ND2 2.93Å; L57-P239 HydrophobicContact CD2-CB 3.44Å; L57-P239 VanDerWaalsContact CD2-CB 3.44Å; L57-P239 HydrophobicContact CD2-CG 3.75Å
58K95.5Very high91Very high138 Ų13865 Ų6560%0.631%0.313SS*.Hα-helixtrans-61.3-45.3174.9-174.9-176.5-177.5-172.20111.4R54 S55 W56 N61 N62R54-K58 WeakPolarHBondContact O-CB 3.43Å; R54-K58 PolarHBondContact O-N 3.07Å; S55-K58 WeakPolarHBondContact O-CB 3.46Å; S55-K58 PolarHBondContact O-N 3.45Å; W56-K58 VanDerWaalsContact C-N 3.26Å; W56-K58 PolarHBondContact O-N 3.07Å; K58-N61 PolarHBondContact O-N 3.32Å; K58-N62 WeakPolarHBondContact O-CB 3.13Å; K58-N62 PolarHBondContact O-N 3.16Å
59C95.1Very high89.3Confident12 Ų1268 Ų688%0.08133%0.327CS..Hα-helixtrans-62.8-47.2177.1-75.30000112.6C49 S55 W56 N61 N62 I63C49-C59 WeakPolarHBondContact CA-SG 3.46Å; C49-C59 HydrophobicContact CB-CB 3.69Å; C49-C59 WeakPolarHBondContact CB-SG 3.33Å; C49-C59 WeakPolarHBondContact SG-CB 3.34Å; C49-C59 CovalentContact SG-SG 2.03Å; C49-C59 PolarHBondContact SG-SG 3.27Å; S55-C59 PolarHBondContact O-N 3.38Å; S55-C59 PolarHBondContact O-SG 2.93Å; W56-C59 WeakPolarHBondContact O-CB 3.23Å; W56-C59 PolarHBondContact O-N 3.23Å; W56-C59 VanDerWaalsContact O-N 3.09Å; C59-N61 VanDerWaalsContact C-N 3.29Å; C59-N61 PolarHBondContact O-N 2.82Å; C59-N62 PolarHBondContact O-N 2.9Å; C59-N62 VanDerWaalsContact O-N 3.13Å; C59-I63 WeakPolarHBondContact O-CB 3.24Å; C59-I63 VanDerWaalsContact O-CG1 3.24Å; C59-I63 WeakPolarHBondContact O-CG1 3.47Å; C59-I63 PolarHBondContact O-N 3.17Å
60I94.1Very high87.3Confident5 Ų575.4 Ų75.43%0.02636%0.362CS..Hα-helixtrans-57.5-45.3176.8-64.8-63.8000110.6W56 L57 N62 I63 N64 I236 Y238W56-I60 HydrophobicContact CG-CG1 4.49Å; W56-I60 WeakPolarHBondContact O-CG1 3.33Å; W56-I60 PolarHBondContact O-N 3.26Å; L57-I60 PolarHBondContact O-N 2.68Å; I60-N62 VanDerWaalsContact C-N 3.34Å; I60-N62 PolarHBondContact O-N 2.95Å; I60-I63 PolarHBondContact O-N 3.11Å; I60-N64 WeakPolarHBondContact CG2-ND2 3.19Å; I60-N64 WeakPolarHBondContact O-CB 3.34Å; I60-N64 PolarHBondContact O-N 3.38Å; I60-N64 VanDerWaalsContact O-N 3.08Å; I60-N64 PolarHBondContact O-ND2 3.21Å; I60-N64 VanDerWaalsContact O-ND2 3.11Å; I60-I236 HydrophobicContact CD1-CD1 3.31Å; I60-I236 HydrophobicContact CD1-CG1 4.04Å; I60-Y238 HydrophobicContact CD1-CD2 4.11Å; I60-Y238 HydrophobicContact CD1-CE2 3.92Å; I60-Y238 HydrophobicContact CG2-CD1 4.45Å; I60-Y238 HydrophobicContact CG2-CE1 4.35Å
61N94.4Very high85Confident108 Ų10883.2 Ų83.258%0.57839%0.389SS*.Hα-helixtrans-63.1-40.3177.2-72.5-13.5000112.2L57 K58 C59 R65L57-N61 WeakPolarHBondContact O-CB 3.5Å; L57-N61 VanDerWaalsContact O-CG 3.25Å; L57-N61 PolarHBondContact O-N 3.28Å; L57-N61 PolarHBondContact O-ND2 2.93Å; K58-N61 PolarHBondContact O-N 3.32Å; C59-N61 VanDerWaalsContact C-N 3.29Å; C59-N61 PolarHBondContact O-N 2.82Å; N61-R65 WeakPolarHBondContact O-CG 3.46Å; N61-R65 PolarHBondContact O-N 2.94Å
62N94.1Very high83.1Confident25 Ų2581.1 Ų81.113%0.13438%0.378CS..Hα-helixtrans-66.8-46.6178-75-10.4000112.1K58 C59 I60 N64 R65 F94K58-N62 WeakPolarHBondContact O-CB 3.13Å; K58-N62 PolarHBondContact O-N 3.16Å; C59-N62 PolarHBondContact O-N 2.9Å; C59-N62 VanDerWaalsContact O-N 3.13Å; I60-N62 VanDerWaalsContact C-N 3.34Å; I60-N62 PolarHBondContact O-N 2.95Å; N62-N64 VanDerWaalsContact C-N 3.27Å; N62-N64 PolarHBondContact O-N 2.75Å; N62-R65 WeakPolarHBondContact O-CG 3.38Å; N62-R65 PolarHBondContact O-N 2.8Å; N62-R65 VanDerWaalsContact OD1-CZ 3.27Å; N62-R65 PolarHBondContact OD1-NE 2.82Å; N62-R65 PolarHBondContact OD1-NH2 3Å; N62-F94 HydrophobicContact CB-CE1 4.28Å; N62-F94 HydrophobicContact CB-CZ 3.8Å
63I92.5Very high80.9Confident13 Ų1384.9 Ų84.97%0.06739%0.394CS..Hα-helixtrans-59.3-40.9178.9-70.1164.8000110.6Y45 C59 I60 R65 R68 L176 L178Y45-I63 HydrophobicContact CE1-CD1 4.41Å; C59-I63 WeakPolarHBondContact O-CB 3.24Å; C59-I63 VanDerWaalsContact O-CG1 3.24Å; C59-I63 WeakPolarHBondContact O-CG1 3.47Å; C59-I63 PolarHBondContact O-N 3.17Å; I60-I63 PolarHBondContact O-N 3.11Å; I63-R65 PolarHBondContact O-N 3.26Å; I63-R68 WeakPolarHBondContact O-CD 3.24Å; I63-R68 PolarHBondContact O-NH1 3.42Å; I63-L176 HydrophobicContact CG1-CD1 4.22Å; I63-L178 HydrophobicContact CD1-CD1 4.19Å; I63-L178 HydrophobicContact CD1-CD2 3.95Å
64N90.5Very high78.9Confident73 Ų7384.4 Ų84.439%0.3940%0.398SS..THydrogen-bonded Turntrans-8912-176-68.7-37.2000114.9I60 N62 P66 Y238I60-N64 WeakPolarHBondContact CG2-ND2 3.19Å; I60-N64 WeakPolarHBondContact O-CB 3.34Å; I60-N64 PolarHBondContact O-N 3.38Å; I60-N64 VanDerWaalsContact O-N 3.08Å; I60-N64 PolarHBondContact O-ND2 3.21Å; I60-N64 VanDerWaalsContact O-ND2 3.11Å; N62-N64 VanDerWaalsContact C-N 3.27Å; N62-N64 PolarHBondContact O-N 2.75Å; N64-P66 WeakPolarHBondContact O-CD 3.46Å; N64-Y238 WeakPolarHBondContact ND2-CE1 3Å; N64-Y238 VanDerWaalsContact ND2-CZ 3.3Å; N64-Y238 PolarHBondContact ND2-OH 2.94Å; N64-Y238 PolarHBondContact OD1-OH 3.33Å
65R89.1Confident76.6Confident119 Ų11980.2 Ų80.245%0.44940%0.396SS..  trans-60.7127.3177.1-77.7177.1-178.9176.3-4.3110.5N61 N62 I63 N67 R68 E93N61-R65 WeakPolarHBondContact O-CG 3.46Å; N61-R65 PolarHBondContact O-N 2.94Å; N62-R65 WeakPolarHBondContact O-CG 3.38Å; N62-R65 PolarHBondContact O-N 2.8Å; N62-R65 VanDerWaalsContact OD1-CZ 3.27Å; N62-R65 PolarHBondContact OD1-NE 2.82Å; N62-R65 PolarHBondContact OD1-NH2 3Å; I63-R65 PolarHBondContact O-N 3.26Å; R65-N67 VanDerWaalsContact C-N 3.27Å; R65-N67 PolarHBondContact O-N 3.24Å; R65-R68 HydrophobicContact CB-CG 3.97Å; R65-R68 WeakPolarHBondContact O-CG 3.43Å; R65-R68 PolarHBondContact O-N 2.47Å; R65-E93 IonicContact NH1-OE1 3Å; R65-E93 PolarHBondContact NH1-OE1 2.98Å
66P72.7Confident74.4Confident122 Ų12284 Ų8479%0.79242%0.418SS*.G310 helixtrans-58.1-34.4-178.3-26.433.7000114.5N64 R68N64-P66 WeakPolarHBondContact O-CD 3.46Å; P66-R68 VanDerWaalsContact C-N 3.34Å; P66-R68 PolarHBondContact O-N 2.81Å
67N66.8Low72.8Confident98 Ų9884.8 Ų84.852%0.52442%0.423SS..G310 helixtrans-88.612.6-170.6-65.4-11.3000114.5R65R65-N67 VanDerWaalsContact C-N 3.27Å; R65-N67 PolarHBondContact O-N 3.24Å
68R75.7Confident71Confident23 Ų2388.6 Ų88.69%0.08745%0.448CS..G310 helixtrans-64.7-39.2178.6-69.1-172.472.3-152-7112.4I63 R65 P66 D91 E93 F94 L176I63-R68 WeakPolarHBondContact O-CD 3.24Å; I63-R68 PolarHBondContact O-NH1 3.42Å; R65-R68 HydrophobicContact CB-CG 3.97Å; R65-R68 WeakPolarHBondContact O-CG 3.43Å; R65-R68 PolarHBondContact O-N 2.47Å; P66-R68 VanDerWaalsContact C-N 3.34Å; P66-R68 PolarHBondContact O-N 2.81Å; R68-D91 IonicContact NH2-OD1 2.77Å; R68-D91 PolarHBondContact NH2-OD1 3.5Å; R68-D91 IonicContact NH2-OD2 2.73Å; R68-D91 PolarHBondContact NH2-OD2 3.26Å; R68-E93 IonicContact NE-OE2 3.62Å; R68-F94 VanDerWaalsContact NH2-CD2 3.34Å; R68-L176 VanDerWaalsContact NH1-CD1 3.31Å
69Q61.9Low70.2Confident109 Ų10983.2 Ų83.251%0.50943%0.428SS..G310 helixtrans-71.2-33.5-177.8-65.3-178.31.900113.7R71Q69-R71 PolarHBondContact O-N 3.45Å
70Q51.9Low70Confident160 Ų16085.2 Ų85.275%0.74844%0.438SS*.G310 helixtrans-68.9-18-178.1-74.1-177.1-6.800113.6R72Q70-R72 VanDerWaalsContact C-N 3.34Å
71R48.3Very low70Confident181 Ų18185.4 Ų85.468%0.68344%0.438SS*.G310 helixtrans-85.91.1-175.7-72.3-176.9174.6-172.6-3114.6Q69 N73Q69-R71 PolarHBondContact O-N 3.45Å; R71-N73 PolarHBondContact O-N 3.29Å
72R55.6Low69.9Low35 Ų3582 Ų8213%0.13242%0.422CS..  trans-66.9111.1177.8-69.7-170.8-175.1174.510.3109.4Q70 H74 D174Q70-R72 VanDerWaalsContact C-N 3.34Å; R72-H74 VanDerWaalsContact C-N 3.26Å; R72-H74 PolarHBondContact O-CD2 3.47Å; R72-H74 PolarHBondContact O-N 2.77Å; R72-D174 IonicContact CZ-OD1 2.75Å; R72-D174 IonicContact NE-OD1 2.71Å; R72-D174 IonicContact NH2-OD1 3.08Å; R72-D174 PolarHBondContact NH2-OD1 3.11Å
73N47.9Very low69.8Low126 Ų12681.8 Ų81.867%0.67442%0.422SS*.  trans-62.993.7163.7-81.7-18.8000107.7R71 T75 T76R71-N73 PolarHBondContact O-N 3.29Å; N73-T75 PolarHBondContact O-N 3.14Å; N73-T76 PolarHBondContact O-N 2.86Å; N73-T76 PolarHBondContact O-OG1 3.35Å
74H50.5Low69.5Low125 Ų12586.1 Ų86.158%0.57945%0.453SS*.G310 helixtrans-60.4-12.8179.8-71.6-79.1000113.3R72 T76 L77R72-H74 VanDerWaalsContact C-N 3.26Å; R72-H74 PolarHBondContact O-CD2 3.47Å; R72-H74 PolarHBondContact O-N 2.77Å; H74-T76 VanDerWaalsContact C-N 3.3Å; H74-T76 PolarHBondContact O-N 3.07Å; H74-L77 HydrophobicContact CB-CD1 4.06Å; H74-L77 WeakPolarHBondContact ND1-CD1 3.44Å
75T46.4Very low69.5Low127 Ų12786.5 Ų86.578%0.77946%0.459SS*.G310 helixtrans-70.5-17.6-178.1470000114.5N73N73-T75 PolarHBondContact O-N 3.14Å
76T50.4Low69.5Low110 Ų11083.2 Ų83.268%0.67545%0.449SS*.G310 helixtrans-104.86.4179.751.30000114.4N73 H74 T78N73-T76 PolarHBondContact O-N 2.86Å; N73-T76 PolarHBondContact O-OG1 3.35Å; H74-T76 VanDerWaalsContact C-N 3.3Å; H74-T76 PolarHBondContact O-N 3.07Å; T76-T78 VanDerWaalsContact C-N 3.33Å; T76-T78 PolarHBondContact O-N 3.22Å
77L60.1Low70.3Confident24 Ų2481 Ų8113%0.12644%0.435CS..  trans-72.880.2178.4-64.2168.9000110.9H74 R102 P104 F105H74-L77 HydrophobicContact CB-CD1 4.06Å; H74-L77 WeakPolarHBondContact ND1-CD1 3.44Å; L77-R102 HydrophobicContact CD2-CB 3.78Å; L77-R102 HydrophobicContact CD2-CG 4.27Å; L77-P104 WeakPolarHBondContact O-CB 3.3Å; L77-F105 HydrophobicContact CD1-CD2 4.32Å; L77-F105 HydrophobicContact CD1-CE2 4.45Å
78T56.6Low71.4Confident128 Ų12877.4 Ų77.479%0.78542%0.421SS*.  trans-126.332.917352.50000112.3T76T76-T78 VanDerWaalsContact C-N 3.33Å; T76-T78 PolarHBondContact O-N 3.22Å
79S78.9Confident72.3Confident25 Ų2576.5 Ų76.518%0.17542%0.418CS..  trans-108.7143.5175.158.50000112.8R102 P104S79-R102 PolarHBondContact OG-O 2.69Å; S79-R102 VanDerWaalsContact OG-O 3.13Å; S79-P104 WeakPolarHBondContact O-CD 3.38Å
80N92Very high73.7Confident53 Ų5371.9 Ų71.928%0.28340%0.396SS..  trans-66.2166.2160.654.5-23.2000111.4P82 P83 S84 A159 A160N80-P82 CarbonylContact C-O 3.57Å; N80-P82 CarbonylContact O-C 3.57Å; N80-P82 PolarHBondContact OD1-O 3.23Å; N80-P83 VanDerWaalsContact O-CA 3.26Å; N80-P83 WeakPolarHBondContact O-CA 3.29Å; N80-P83 VanDerWaalsContact O-N 3.1Å; N80-S84 PolarHBondContact OD1-N 2.93Å; N80-A159 CarbonylContact C-O 3.14Å; N80-A159 WeakPolarHBondContact CA-O 3.21Å; N80-A160 WeakPolarHBondContact CB-O 3.41Å
81W93.9Very high75.6Confident9 Ų964.8 Ų64.83%0.03436%0.363CS..SBendtrans-107.9126.8165.2-176.9-88.2000111.6L89 L101 I103 A159 R307 S310 A311 I406W81-L89 HydrophobicContact CH2-CD2 4.29Å; W81-L89 HydrophobicContact CZ3-CD2 4.02Å; W81-L101 HydrophobicContact CD2-CD1 3.98Å; W81-L101 HydrophobicContact CD2-CD2 4.42Å; W81-L101 HydrophobicContact CD2-CG 3.75Å; W81-L101 HydrophobicContact CE3-CB 4.39Å; W81-L101 HydrophobicContact CE3-CD1 3.98Å; W81-L101 HydrophobicContact CE3-CG 3.67Å; W81-L101 HydrophobicContact CG-CD2 4.32Å; W81-L101 HydrophobicContact CG-CG 4.13Å; W81-L101 HydrophobicContact CH2-CD1 4.1Å; W81-L101 HydrophobicContact CZ2-CD1 4.13Å; W81-L101 HydrophobicContact CZ3-CD1 4.03Å; W81-L101 HydrophobicContact CZ3-CG 4.16Å; W81-I103 HydrophobicContact CB-CG2 4.19Å; W81-A159 PolarHBondContact N-O 3.14Å; W81-R307 HydrophobicContact CH2-CB 4.14Å; W81-R307 HydrophobicContact CZ2-CB 3.82Å; W81-R307 HydrophobicContact CZ2-CG 4.1Å; W81-S310 PolarHBondContact NE1-OG 3.04Å; W81-A311 HydrophobicContact CH2-CB 3.96Å; W81-A311 HydrophobicContact CZ2-CB 3.82Å; W81-I406 HydrophobicContact CB-CD1 4.46Å; W81-I406 HydrophobicContact CB-CG1 4.21Å; W81-I406 HydrophobicContact CG-CG1 3.96Å
82P92.7Very high77.5Confident38 Ų3861.6 Ų61.625%0.24736%0.36CS..SBendcis-67.6159-10.233.8-37.8000111.3N80 A311N80-P82 CarbonylContact C-O 3.57Å; N80-P82 CarbonylContact O-C 3.57Å; N80-P82 PolarHBondContact OD1-O 3.23Å; P82-A311 HydrophobicContact CB-CB 4.04Å
83P91Very high79.1Confident19 Ų1963.3 Ų63.312%0.12337%0.37CS..  trans-62.8147.3176.826.6-33.9000110.8N80 T85 L89N80-P83 VanDerWaalsContact O-CA 3.26Å; N80-P83 WeakPolarHBondContact O-CA 3.29Å; N80-P83 VanDerWaalsContact O-N 3.1Å; P83-T85 PolarHBondContact O-N 3.44Å; P83-L89 HydrophobicContact CG-CD1 4.34Å; P83-L89 HydrophobicContact CG-CD2 3.58Å; P83-L89 HydrophobicContact CG-CG 3.56Å
84S87.6Confident81.2Confident104 Ų10458 Ų5873%0.72734%0.34SS*.SBendtrans-64.7-19.7179.558.20000114.3N80N80-S84 PolarHBondContact OD1-N 2.93Å
85T89.1Confident83.3Confident82 Ų8253 Ų5350%0.50332%0.319SS..SBendtrans-132.4146.1179.569.20000111.3P83 G88P83-T85 PolarHBondContact O-N 3.44Å; T85-G88 PolarHBondContact O-N 3.1Å; T85-G88 VanDerWaalsContact O-N 3.1Å
86I90.4Very high85.7Confident49 Ų4947.1 Ų47.125%0.25128%0.283SS..G310 helixtrans-59-39.8-179.9-60.4-56.3000113.3F37 G88 L89 F90 I97 P187 L312F37-I86 HydrophobicContact CE2-CG2 4.23Å; I86-G88 PolarHBondContact O-N 3.1Å; I86-L89 WeakPolarHBondContact O-CB 3.19Å; I86-L89 PolarHBondContact O-N 3.31Å; I86-F90 HydrophobicContact CG2-CE1 3.72Å; I86-F90 HydrophobicContact CG2-CZ 4Å; I86-I97 HydrophobicContact CG2-CD1 4.41Å; I86-P187 HydrophobicContact CB-CB 4.27Å; I86-P187 HydrophobicContact CD1-CB 3.66Å; I86-P187 HydrophobicContact CD1-CG 4.5Å; I86-P187 HydrophobicContact CG1-CB 3.63Å; I86-P187 HydrophobicContact CG2-CB 3.67Å; I86-P187 HydrophobicContact CG2-CG 3.85Å; I86-L312 HydrophobicContact CD1-CD2 3.78Å
87P89.6Confident87.9Confident76 Ų7641.9 Ų41.949%0.49425%0.251SS..G310 helixtrans-56.7-24.3175.7-28.437.4000114.4L89 F90P87-L89 PolarHBondContact O-N 2.93Å; P87-L89 VanDerWaalsContact O-N 3.17Å; P87-F90 HydrophobicContact CB-CD2 4.05Å; P87-F90 HydrophobicContact CB-CE2 4.14Å; P87-F90 HydrophobicContact CG-CE2 4.21Å; P87-F90 PolarHBondContact O-N 3.16Å; P87-F90 VanDerWaalsContact O-N 3.1Å
88G89.6Confident89.5Confident22 Ų2240.8 Ų40.823%0.22725%0.245CC..G310 helixtrans-61.3-19.917300000114.2T85 I86 R102T85-G88 PolarHBondContact O-N 3.1Å; T85-G88 VanDerWaalsContact O-N 3.1Å; I86-G88 PolarHBondContact O-N 3.1Å; G88-R102 WeakPolarHBondContact O-CD 3.35Å; G88-R102 PolarHBondContact O-NH1 3.44Å
89L93.2Very high91.4Very high4 Ų434.7 Ų34.72%0.02121%0.208CC..G310 helixtrans-94.8-4.7176.9-63.8171.3000113.7W81 P83 I86 P87 I97 N98 A311 L312W81-L89 HydrophobicContact CH2-CD2 4.29Å; W81-L89 HydrophobicContact CZ3-CD2 4.02Å; P83-L89 HydrophobicContact CG-CD1 4.34Å; P83-L89 HydrophobicContact CG-CD2 3.58Å; P83-L89 HydrophobicContact CG-CG 3.56Å; I86-L89 WeakPolarHBondContact O-CB 3.19Å; I86-L89 PolarHBondContact O-N 3.31Å; P87-L89 PolarHBondContact O-N 2.93Å; P87-L89 VanDerWaalsContact O-N 3.17Å; L89-I97 HydrophobicContact CB-CD1 3.65Å; L89-I97 HydrophobicContact CB-CG2 4.21Å; L89-I97 HydrophobicContact CD1-CD1 4.44Å; L89-I97 CarbonylContact O-C 3.59Å; L89-I97 WeakPolarHBondContact O-CA 3.17Å; L89-N98 PolarHBondContact O-N 2.67Å; L89-A311 HydrophobicContact CD1-CB 4.03Å; L89-A311 HydrophobicContact CD2-CB 4.18Å; L89-L312 HydrophobicContact CD1-CD2 3.56Å; L89-L312 HydrophobicContact CD1-CG 4.09Å
90F92.8Very high92.1Very high12 Ų1233.6 Ų33.65%0.05320%0.2CC..BIsolated β-bridgetrans-73.3135.4-178.6-65.6-16.2000111.5L36 F37 V40 I86 P87 I97 R102L36-F90 HydrophobicContact CD2-CB 4.09Å; L36-F90 HydrophobicContact CD2-CD2 3.55Å; L36-F90 HydrophobicContact CD2-CE2 4.36Å; L36-F90 HydrophobicContact CD2-CG 4.21Å; L36-F90 HydrophobicContact CG-CD2 3.61Å; L36-F90 HydrophobicContact CG-CE2 4.04Å; L36-F90 HydrophobicContact CG-CG 4.3Å; F37-F90 HydrophobicContact CB-CE2 4.16Å; F37-F90 HydrophobicContact CB-CZ 4.12Å; F37-F90 HydrophobicContact CD2-CE2 4.35Å; F37-F90 AromaticContact CD2-CZ 3.69Å; F37-F90 HydrophobicContact CD2-CZ 3.69Å; F37-F90 HydrophobicContact CG-CZ 4.3Å; V40-F90 HydrophobicContact CB-CE1 4.17Å; V40-F90 HydrophobicContact CB-CZ 4.47Å; V40-F90 HydrophobicContact CG1-CE1 4.08Å; V40-F90 HydrophobicContact CG2-CD1 3.95Å; V40-F90 HydrophobicContact CG2-CE1 3.8Å; V40-F90 HydrophobicContact CG2-CG 4.49Å; V40-F90 HydrophobicContact CG2-CZ 4.2Å; I86-F90 HydrophobicContact CG2-CE1 3.72Å; I86-F90 HydrophobicContact CG2-CZ 4Å; P87-F90 HydrophobicContact CB-CD2 4.05Å; P87-F90 HydrophobicContact CB-CE2 4.14Å; P87-F90 HydrophobicContact CG-CE2 4.21Å; P87-F90 PolarHBondContact O-N 3.16Å; P87-F90 VanDerWaalsContact O-N 3.1Å; F90-I97 HydrophobicContact CD1-CD1 3.72Å; F90-I97 HydrophobicContact CE1-CD1 3.79Å; F90-R102 PolarHBondContact O-NH1 3.17Å; F90-R102 PolarHBondContact O-NH2 3.11Å
91D91.7Very high92.1Very high11 Ų1131.1 Ų31.16%0.05919%0.187CC..  trans-63.7148.7173.7-170.376.6000111.3R68 E93 F94 V96 N98 L176R68-D91 IonicContact NH2-OD1 2.77Å; R68-D91 PolarHBondContact NH2-OD1 3.5Å; R68-D91 IonicContact NH2-OD2 2.73Å; R68-D91 PolarHBondContact NH2-OD2 3.26Å; D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact OD2-N 3.02Å; D91-F94 WeakPolarHBondContact CB-O 3.35Å; D91-F94 PolarHBondContact OD2-N 3.33Å; D91-V96 HydrophobicContact CB-CG2 3.84Å; D91-V96 PolarHBondContact N-O 3Å; D91-N98 HydrophobicContact CB-CB 3.91Å; D91-N98 PolarHBondContact OD1-ND2 3.16Å; D91-L176 HydrophobicContact CB-CD2 4.23Å; D91-L176 WeakPolarHBondContact OD1-CD2 3.22Å
92D87.8Confident91.8Very high114 Ų11432.5 Ų32.561%0.6119%0.192SC*.SBendtrans-78.1-18.8-176.7-57.9-46.5000112.9R102D92-R102 IonicContact OD1-CZ 2.79Å; D92-R102 IonicContact OD1-NH2 3.67Å; D92-R102 PolarHBondContact OD1-NH2 3.19Å; D92-R102 IonicContact OD2-CZ 3.69Å; D92-R102 IonicContact OD2-NH2 3.28Å; D92-R102 PolarHBondContact OD2-NH2 2.84Å
93E89.4Confident91.6Very high72 Ų7230.8 Ų30.834%0.33618%0.181SC..SBendtrans-114.1-30.8-175.9-165.8178.5175.500112.8R65 R68 D91R65-E93 IonicContact NH1-OE1 3Å; R65-E93 PolarHBondContact NH1-OE1 2.98Å; R68-E93 IonicContact NE-OE2 3.62Å; D91-E93 VanDerWaalsContact C-N 3.34Å; D91-E93 PolarHBondContact OD2-N 3.02Å
94F92.4Very high91.4Very high13 Ų1330.5 Ų30.56%0.05718%0.179CC..SBendtrans-123.1147.1-175.1-50.4-47000112.1Y45 N62 R68 D91 V96 L176Y45-F94 HydrophobicContact CD2-CB 4.1Å; Y45-F94 HydrophobicContact CD2-CD1 4.21Å; Y45-F94 HydrophobicContact CD2-CG 4.31Å; Y45-F94 HydrophobicContact CE1-CB 4.47Å; Y45-F94 HydrophobicContact CE1-CD2 4.42Å; Y45-F94 HydrophobicContact CE1-CG 4.26Å; Y45-F94 HydrophobicContact CE2-CB 4.01Å; Y45-F94 AromaticContact CE2-CD1 3.39Å; Y45-F94 HydrophobicContact CE2-CD1 3.39Å; Y45-F94 HydrophobicContact CE2-CD2 4.49Å; Y45-F94 HydrophobicContact CE2-CE1 4.02Å; Y45-F94 AromaticContact CE2-CG 3.7Å; Y45-F94 HydrophobicContact CE2-CG 3.7Å; Y45-F94 HydrophobicContact CG-CB 4.34Å; Y45-F94 AromaticContact CZ-CD1 3.66Å; Y45-F94 AromaticContact CZ-CG 3.67Å; Y45-F94 WeakPolarHBondContact OH-CE1 3.29Å; N62-F94 HydrophobicContact CB-CE1 4.28Å; N62-F94 HydrophobicContact CB-CZ 3.8Å; R68-F94 VanDerWaalsContact NH2-CD2 3.34Å; D91-F94 WeakPolarHBondContact CB-O 3.35Å; D91-F94 PolarHBondContact OD2-N 3.33Å; F94-V96 HydrophobicContact CB-CG1 4.4Å; F94-V96 HydrophobicContact CB-CG2 3.88Å; F94-V96 PolarHBondContact O-N 3.21Å; F94-L176 HydrophobicContact CD2-CD1 3.92Å; F94-L176 HydrophobicContact CE2-CD1 4.39Å
95P94.5Very high91.5Very high21 Ų2127.7 Ų27.714%0.13615%0.154CC..SBendtrans-77.467.2174.432-32.6000110.7L31 L36 S39 V40L31-P95 HydrophobicContact CD2-CG 4.46Å; L36-P95 HydrophobicContact CD1-CB 3.78Å; S39-P95 VanDerWaalsContact CB-CB 3.44Å; V40-P95 VanDerWaalsContact CG2-C 3.47Å
96V95.9Very high91.4Very high3 Ų326.4 Ų26.42%0.01815%0.146CC..SBendtrans-140.1163.1178.8-58.50000110Y45 D91 F94 L176Y45-V96 HydrophobicContact CD1-CG1 3.74Å; Y45-V96 HydrophobicContact CG-CG1 3.96Å; D91-V96 HydrophobicContact CB-CG2 3.84Å; D91-V96 PolarHBondContact N-O 3Å; F94-V96 HydrophobicContact CB-CG1 4.4Å; F94-V96 HydrophobicContact CB-CG2 3.88Å; F94-V96 PolarHBondContact O-N 3.21Å; V96-L176 HydrophobicContact CG2-CB 4.02Å; V96-L176 HydrophobicContact CG2-CD1 4.08Å; V96-L176 HydrophobicContact CG2-CD2 4.08Å; V96-L176 HydrophobicContact CG2-CG 4.29Å
97I96Very high91.2Very high1 Ų134.2 Ų34.21%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-78.1129.7170-68.5-75.2000109.3V40 I86 L89 F90 L99 L176 A177 L180 L312V40-I97 HydrophobicContact CG1-CD1 4.48Å; V40-I97 HydrophobicContact CG1-CG1 4.01Å; I86-I97 HydrophobicContact CG2-CD1 4.41Å; L89-I97 HydrophobicContact CB-CD1 3.65Å; L89-I97 HydrophobicContact CB-CG2 4.21Å; L89-I97 HydrophobicContact CD1-CD1 4.44Å; L89-I97 CarbonylContact O-C 3.59Å; L89-I97 WeakPolarHBondContact O-CA 3.17Å; F90-I97 HydrophobicContact CD1-CD1 3.72Å; F90-I97 HydrophobicContact CE1-CD1 3.79Å; I97-L99 HydrophobicContact CG2-CD2 3.7Å; I97-L99 HydrophobicContact CG2-CG 3.99Å; I97-L176 CarbonylContact O-C 3.59Å; I97-L176 VanDerWaalsContact O-CA 3.31Å; I97-L176 WeakPolarHBondContact O-CA 3.39Å; I97-A177 HydrophobicContact CB-CB 4.22Å; I97-A177 HydrophobicContact CG2-CB 4.41Å; I97-A177 PolarHBondContact O-N 2.86Å; I97-L180 HydrophobicContact CG1-CD1 4.24Å; I97-L312 HydrophobicContact CG2-CD1 4.27Å
98N94.7Very high91Very high1 Ų138.1 Ų38.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-108.3118.2169.6-173.8-14.3000109.7L89 D91 A100 D174 I175 L176L89-N98 PolarHBondContact O-N 2.67Å; D91-N98 HydrophobicContact CB-CB 3.91Å; D91-N98 PolarHBondContact OD1-ND2 3.16Å; N98-A100 VanDerWaalsContact C-N 3.28Å; N98-A100 PolarHBondContact O-N 3.34Å; N98-A100 WeakPolarHBondContact OD1-CB 3.33Å; N98-A100 PolarHBondContact OD1-N 3.06Å; N98-D174 PolarHBondContact ND2-OD1 3.04Å; N98-I175 PolarHBondContact OD1-N 2.91Å; N98-L176 HydrophobicContact CB-CD2 3.69Å
99L95.8Very high90.9Very high0 Ų037.9 Ų37.90%019%0.191CC..  trans-90.416.8-177-62.7170.6000112.8I97 I175 F304 R307 W308 A311I97-L99 HydrophobicContact CG2-CD2 3.7Å; I97-L99 HydrophobicContact CG2-CG 3.99Å; L99-I175 PolarHBondContact N-O 3.15Å; L99-F304 HydrophobicContact CD1-CD2 3.55Å; L99-F304 HydrophobicContact CD1-CE2 3.58Å; L99-R307 HydrophobicContact CB-CB 3.94Å; L99-R307 WeakPolarHBondContact O-CD 3.37Å; L99-R307 PolarHBondContact O-NH1 2.73Å; L99-R307 VanDerWaalsContact O-NH1 3.14Å; L99-W308 HydrophobicContact CD1-CB 3.78Å; L99-A311 HydrophobicContact CD2-CB 4.39Å
100A93.5Very high90.7Very high2 Ų241.5 Ų41.52%0.01721%0.208CC..SBendtrans-68.2140.5167.300000111.4N98 R102 P173N98-A100 VanDerWaalsContact C-N 3.28Å; N98-A100 PolarHBondContact O-N 3.34Å; N98-A100 WeakPolarHBondContact OD1-CB 3.33Å; N98-A100 PolarHBondContact OD1-N 3.06Å; A100-R102 PolarHBondContact O-N 2.92Å; A100-P173 WeakPolarHBondContact CB-O 3.12Å
101L92.2Very high90.4Very high1 Ų143.5 Ų43.51%0.00522%0.219CC..  trans-67.9126.1176.1-88.269000110W81 I103 N172 R307 I406 A409W81-L101 HydrophobicContact CD2-CD1 3.98Å; W81-L101 HydrophobicContact CD2-CD2 4.42Å; W81-L101 HydrophobicContact CD2-CG 3.75Å; W81-L101 HydrophobicContact CE3-CB 4.39Å; W81-L101 HydrophobicContact CE3-CD1 3.98Å; W81-L101 HydrophobicContact CE3-CG 3.67Å; W81-L101 HydrophobicContact CG-CD2 4.32Å; W81-L101 HydrophobicContact CG-CG 4.13Å; W81-L101 HydrophobicContact CH2-CD1 4.1Å; W81-L101 HydrophobicContact CZ2-CD1 4.13Å; W81-L101 HydrophobicContact CZ3-CD1 4.03Å; W81-L101 HydrophobicContact CZ3-CG 4.16Å; L101-I103 HydrophobicContact CD2-CD1 4.45Å; L101-N172 PolarHBondContact N-ND2 3.2Å; L101-N172 PolarHBondContact N-OD1 3Å; L101-N172 PolarHBondContact O-ND2 2.85Å; L101-R307 HydrophobicContact CD1-CG 4.33Å; L101-I406 HydrophobicContact CD2-CB 4.24Å; L101-I406 HydrophobicContact CD2-CG1 4.23Å; L101-I406 HydrophobicContact CD2-CG2 4.13Å; L101-A409 HydrophobicContact CD1-CB 4.47Å; L101-A409 HydrophobicContact CD2-CB 3.95Å
102R88.6Confident90Very high37 Ų3743.2 Ų43.214%0.1422%0.218CC..  trans-108.953.8176.9-72.5179.5167.5171.7-6111.4L77 S79 G88 F90 D92 A100L77-R102 HydrophobicContact CD2-CB 3.78Å; L77-R102 HydrophobicContact CD2-CG 4.27Å; S79-R102 PolarHBondContact OG-O 2.69Å; S79-R102 VanDerWaalsContact OG-O 3.13Å; G88-R102 WeakPolarHBondContact O-CD 3.35Å; G88-R102 PolarHBondContact O-NH1 3.44Å; F90-R102 PolarHBondContact O-NH1 3.17Å; F90-R102 PolarHBondContact O-NH2 3.11Å; D92-R102 IonicContact OD1-CZ 2.79Å; D92-R102 IonicContact OD1-NH2 3.67Å; D92-R102 PolarHBondContact OD1-NH2 3.19Å; D92-R102 IonicContact OD2-CZ 3.69Å; D92-R102 IonicContact OD2-NH2 3.28Å; D92-R102 PolarHBondContact OD2-NH2 2.84Å; A100-R102 PolarHBondContact O-N 2.92Å
103I87.4Confident89.7Confident3 Ų342 Ų422%0.01521%0.207CC..  trans-89151.5-179.458.2176.9000111.6W81 L101 F105 A159 F410W81-I103 HydrophobicContact CB-CG2 4.19Å; L101-I103 HydrophobicContact CD2-CD1 4.45Å; I103-F105 HydrophobicContact CD1-CE1 4.17Å; I103-F105 HydrophobicContact CD1-CZ 4.16Å; I103-F105 HydrophobicContact CG1-CE1 4.03Å; I103-F105 HydrophobicContact CG1-CE2 4.39Å; I103-F105 HydrophobicContact CG1-CZ 3.63Å; I103-F105 WeakPolarHBondContact O-CD2 3.16Å; I103-F105 WeakPolarHBondContact O-CE2 3.42Å; I103-A159 HydrophobicContact CD1-CB 4.41Å; I103-A159 HydrophobicContact CG2-CB 4.14Å; I103-F410 HydrophobicContact CD1-CE2 3.7Å; I103-F410 HydrophobicContact CD1-CZ 3.5Å
104P88.1Confident89.4Confident12 Ų1243.7 Ų43.78%0.07822%0.218CC..  trans-67.9152.8177.119.3-26.4000113.4L77 S79 G162 P164 S165L77-P104 WeakPolarHBondContact O-CB 3.3Å; S79-P104 WeakPolarHBondContact O-CD 3.38Å; P104-G162 VanDerWaalsContact CG-O 3.23Å; P104-G162 WeakPolarHBondContact CG-O 3.49Å; P104-P164 HydrophobicContact CB-CB 4.09Å; P104-P164 HydrophobicContact CB-CG 4.06Å; P104-P164 HydrophobicContact CG-CG 4.36Å; P104-P164 WeakPolarHBondContact O-CA 3.04Å; P104-S165 PolarHBondContact O-N 3.48Å
105F87.8Confident88.8Confident46 Ų4643.4 Ų43.420%0.20222%0.218CC..EExtended strand (participates in β ladder)trans-130.1148.1171.6-54.7-75.4000110.6L77 I103 A109 S165 L168 P169L77-F105 HydrophobicContact CD1-CD2 4.32Å; L77-F105 HydrophobicContact CD1-CE2 4.45Å; I103-F105 HydrophobicContact CD1-CE1 4.17Å; I103-F105 HydrophobicContact CD1-CZ 4.16Å; I103-F105 HydrophobicContact CG1-CE1 4.03Å; I103-F105 HydrophobicContact CG1-CE2 4.39Å; I103-F105 HydrophobicContact CG1-CZ 3.63Å; I103-F105 WeakPolarHBondContact O-CD2 3.16Å; I103-F105 WeakPolarHBondContact O-CE2 3.42Å; F105-A109 HydrophobicContact CB-CB 3.97Å; F105-S165 VanDerWaalsContact CA-O 3.31Å; F105-S165 WeakPolarHBondContact CA-O 3.2Å; F105-L168 HydrophobicContact CB-CD2 4.15Å; F105-L168 HydrophobicContact CD1-CD2 3.91Å; F105-L168 HydrophobicContact CD2-CD2 4.05Å; F105-L168 HydrophobicContact CE1-CD2 4.44Å; F105-L168 HydrophobicContact CG-CD2 3.74Å; F105-P169 HydrophobicContact CE1-CG 3.69Å; F105-P169 HydrophobicContact CZ-CG 3.42Å; F105-P169 VanDerWaalsContact CZ-CG 3.42Å
106T88.2Confident88Confident54 Ų5446.3 Ų46.333%0.33124%0.237SC..EExtended strand (participates in β ladder)trans-65.8150.4170.559.10000110.6N108 A109 P164 S165 T166T106-N108 PolarHBondContact O-N 2.74Å; T106-N108 VanDerWaalsContact O-N 3.08Å; T106-A109 VanDerWaalsContact O-CB 3.23Å; T106-A109 WeakPolarHBondContact O-CB 3.4Å; T106-A109 PolarHBondContact O-N 3.49Å; T106-A109 WeakPolarHBondContact OG1-CA 3.19Å; T106-A109 PolarHBondContact OG1-N 2.91Å; T106-P164 HydrophobicContact CG2-CB 4.04Å; T106-S165 PolarHBondContact N-O 3.41Å; T106-T166 HydrophobicContact CG2-CG2 4.16Å
107K85.2Confident86.8Confident214 Ų21451.8 Ų51.893%0.9326%0.258SS*.EExtended strand (participates in β ladder)trans-53.6-32.5178.5-71.6-174.1179-179.10113.9
108N86Confident85.8Confident157 Ų15753.5 Ų53.584%0.8427%0.265SS*.EExtended strand (participates in β ladder)trans-104.328.8178.7-58.7-13.5000111.8T106 E110T106-N108 PolarHBondContact O-N 2.74Å; T106-N108 VanDerWaalsContact O-N 3.08Å; N108-E110 PolarHBondContact O-N 2.99Å
109A88.3Confident84.8Confident18 Ų1861.1 Ų61.115%0.14929%0.293CS..EExtended strand (participates in β ladder)trans-57130.1-179.400000110.2F105 T106 N111 T166 L168F105-A109 HydrophobicContact CB-CB 3.97Å; T106-A109 VanDerWaalsContact O-CB 3.23Å; T106-A109 WeakPolarHBondContact O-CB 3.4Å; T106-A109 PolarHBondContact O-N 3.49Å; T106-A109 WeakPolarHBondContact OG1-CA 3.19Å; T106-A109 PolarHBondContact OG1-N 2.91Å; A109-N111 PolarHBondContact O-N 3.39Å; A109-T166 CarbonylContact C-O 3.46Å; A109-T166 VanDerWaalsContact CA-O 3.25Å; A109-T166 WeakPolarHBondContact CA-O 3.44Å; A109-L168 HydrophobicContact CB-CD2 4.08Å; A109-L168 HydrophobicContact CB-CG 4.21Å
110E88.3Confident83.5Confident80 Ų8067.4 Ų67.437%0.37432%0.321SS..EExtended strand (participates in β ladder)trans-62.7128.5-178.9-176.5-178.3-179.200109.6N108 P112 S115 T166 T167 L168N108-E110 PolarHBondContact O-N 2.99Å; E110-P112 WeakPolarHBondContact O-CD 3.48Å; E110-S115 WeakPolarHBondContact OE1-CA 3.29Å; E110-S115 WeakPolarHBondContact OE1-CB 3.43Å; E110-S115 PolarHBondContact OE1-OG 3.45Å; E110-T166 PolarHBondContact N-O 3.39Å; E110-T167 HydrophobicContact CB-CG2 4.34Å; E110-T167 WeakPolarHBondContact O-CA 3.48Å; E110-T167 WeakPolarHBondContact O-CG2 3.43Å; E110-L168 PolarHBondContact O-N 3.47Å
111N86.6Confident82.4Confident54 Ų5468 Ų6829%0.28932%0.323SS..PPolyproline II helixtrans-73119.7165.21763.8000108.2A109 F113 D114A109-N111 PolarHBondContact O-N 3.39Å; N111-F113 PolarHBondContact O-N 3.15Å; N111-F113 VanDerWaalsContact OD1-CD2 3.29Å; N111-F113 WeakPolarHBondContact OD1-CD2 3.47Å; N111-F113 PolarHBondContact OD1-N 3.35Å; N111-F113 VanDerWaalsContact OD1-N 3.11Å; N111-D114 HydrophobicContact CB-CB 4.31Å; N111-D114 VanDerWaalsContact CB-OD2 3.24Å; N111-D114 WeakPolarHBondContact CB-OD2 3.46Å; N111-D114 PolarHBondContact ND2-OD2 3.07Å; N111-D114 PolarHBondContact O-N 3.39Å
112P83.7Confident81.4Confident5 Ų571.5 Ų71.53%0.03234%0.341CS..THydrogen-bonded Turntrans-56.9-26.9-178.620.5-32.1000114.1E110 D114 S115 Y118 Q148 I170E110-P112 WeakPolarHBondContact O-CD 3.48Å; P112-D114 VanDerWaalsContact C-N 3.31Å; P112-S115 WeakPolarHBondContact O-CB 3.37Å; P112-Y118 WeakPolarHBondContact O-CB 3.44Å; P112-Q148 HydrophobicContact CB-CG 3.75Å; P112-I170 HydrophobicContact CB-CB 4.41Å; P112-I170 HydrophobicContact CB-CD1 4.27Å; P112-I170 HydrophobicContact CB-CG1 4.38Å; P112-I170 HydrophobicContact CG-CB 3.97Å; P112-I170 HydrophobicContact CG-CD1 4.45Å; P112-I170 HydrophobicContact CG-CG1 4.03Å
113F81.7Confident80.4Confident89 Ų8974.9 Ų74.939%0.3936%0.358SS..THydrogen-bonded Turntrans-75.8-17.6178.8-59-64.3000113.8N111 Y118 I170N111-F113 PolarHBondContact O-N 3.15Å; N111-F113 VanDerWaalsContact OD1-CD2 3.29Å; N111-F113 WeakPolarHBondContact OD1-CD2 3.47Å; N111-F113 PolarHBondContact OD1-N 3.35Å; N111-F113 VanDerWaalsContact OD1-N 3.11Å; F113-Y118 HydrophobicContact CB-CD1 4.31Å; F113-Y118 HydrophobicContact CB-CE1 4.18Å; F113-Y118 HydrophobicContact CD1-CD1 4.4Å; F113-Y118 HydrophobicContact CD1-CD2 4.29Å; F113-Y118 AromaticContact CD1-CE1 3.81Å; F113-Y118 HydrophobicContact CD1-CE1 3.81Å; F113-Y118 AromaticContact CD1-CE2 3.73Å; F113-Y118 HydrophobicContact CD1-CE2 3.73Å; F113-Y118 AromaticContact CD1-CZ 3.46Å; F113-Y118 VanDerWaalsContact CD1-CZ 3.46Å; F113-Y118 HydrophobicContact CE1-CE2 4.13Å; F113-Y118 WeakPolarHBondContact O-CD1 3.37Å; F113-I170 HydrophobicContact CD1-CD1 4.46Å; F113-I170 HydrophobicContact CE1-CD1 3.77Å; F113-I170 HydrophobicContact CE1-CG1 3.83Å; F113-I170 HydrophobicContact CE2-CG1 4.13Å; F113-I170 HydrophobicContact CZ-CD1 3.98Å; F113-I170 HydrophobicContact CZ-CG1 3.49Å; F113-I170 VanDerWaalsContact CZ-CG1 3.49Å
114D82.6Confident79.2Confident106 Ų10678.4 Ų78.457%0.56737%0.373SS*.THydrogen-bonded Turntrans-93.7-9.4178.8-62.5-35.6000112.3N111 P112N111-D114 HydrophobicContact CB-CB 4.31Å; N111-D114 VanDerWaalsContact CB-OD2 3.24Å; N111-D114 WeakPolarHBondContact CB-OD2 3.46Å; N111-D114 PolarHBondContact ND2-OD2 3.07Å; N111-D114 PolarHBondContact O-N 3.39Å; P112-D114 VanDerWaalsContact C-N 3.31Å
115S80Confident78.2Confident8 Ų879 Ų796%0.05638%0.377CS..SBendtrans-59.4139.7-177.1-165.10000112.3E110 P112 Y117 Y118 R119E110-S115 WeakPolarHBondContact OE1-CA 3.29Å; E110-S115 WeakPolarHBondContact OE1-CB 3.43Å; E110-S115 PolarHBondContact OE1-OG 3.45Å; P112-S115 WeakPolarHBondContact O-CB 3.37Å; S115-Y117 PolarHBondContact O-N 3.12Å; S115-Y118 WeakPolarHBondContact O-CB 3.45Å; S115-Y118 PolarHBondContact O-N 2.92Å; S115-R119 PolarHBondContact O-N 2.83Å
116P76.7Confident77.1Confident81 Ų8181.5 Ų81.553%0.52640%0.396SS..Hα-helixtrans-53.6-34.1171.1-24.933.9000113R119 K120P116-R119 PolarHBondContact O-N 2.93Å; P116-K120 WeakPolarHBondContact O-CB 3.43Å; P116-K120 PolarHBondContact O-N 2.94Å
117Y71.6Confident75.6Confident118 Ų11885.5 Ų85.546%0.46341%0.405SS..Hα-helixtrans-65.9-40.8175.6-66-77.1000112.1S115 K120 Y121 L145 T149S115-Y117 PolarHBondContact O-N 3.12Å; Y117-K120 PolarHBondContact O-N 3.29Å; Y117-Y121 WeakPolarHBondContact O-CB 3.33Å; Y117-Y121 PolarHBondContact O-N 3.29Å; Y117-L145 HydrophobicContact CD1-CD1 4.29Å; Y117-L145 HydrophobicContact CE1-CD1 4.27Å; Y117-T149 HydrophobicContact CD1-CG2 4Å; Y117-T149 HydrophobicContact CD2-CG2 4.07Å; Y117-T149 HydrophobicContact CE1-CG2 4.32Å; Y117-T149 HydrophobicContact CE2-CG2 4.39Å; Y117-T149 HydrophobicContact CG-CG2 3.87Å
118Y74Confident74.1Confident38 Ų3878.9 Ų78.915%0.14938%0.379CS..Hα-helixtrans-66.7-39.5175.9-174.1-98.8000111.9P112 F113 S115 Y121 L122 P147P112-Y118 WeakPolarHBondContact O-CB 3.44Å; F113-Y118 HydrophobicContact CB-CD1 4.31Å; F113-Y118 HydrophobicContact CB-CE1 4.18Å; F113-Y118 HydrophobicContact CD1-CD1 4.4Å; F113-Y118 HydrophobicContact CD1-CD2 4.29Å; F113-Y118 AromaticContact CD1-CE1 3.81Å; F113-Y118 HydrophobicContact CD1-CE1 3.81Å; F113-Y118 AromaticContact CD1-CE2 3.73Å; F113-Y118 HydrophobicContact CD1-CE2 3.73Å; F113-Y118 AromaticContact CD1-CZ 3.46Å; F113-Y118 VanDerWaalsContact CD1-CZ 3.46Å; F113-Y118 HydrophobicContact CE1-CE2 4.13Å; F113-Y118 WeakPolarHBondContact O-CD1 3.37Å; S115-Y118 WeakPolarHBondContact O-CB 3.45Å; S115-Y118 PolarHBondContact O-N 2.92Å; Y118-Y121 AromaticContact CD2-CD1 3.71Å; Y118-Y121 HydrophobicContact CD2-CD1 3.71Å; Y118-Y121 HydrophobicContact CD2-CE1 4.23Å; Y118-Y121 AromaticContact CE2-CD1 3.63Å; Y118-Y121 HydrophobicContact CE2-CD1 3.63Å; Y118-Y121 AromaticContact CE2-CE1 3.69Å; Y118-Y121 HydrophobicContact CE2-CE1 3.69Å; Y118-Y121 HydrophobicContact CG-CD1 4.42Å; Y118-Y121 CarbonylContact O-C 3.43Å; Y118-Y121 WeakPolarHBondContact O-CA 3.47Å; Y118-Y121 VanDerWaalsContact O-CB 3.28Å; Y118-Y121 WeakPolarHBondContact O-CB 3.42Å; Y118-Y121 PolarHBondContact O-N 2.74Å; Y118-L122 HydrophobicContact CD1-CD1 3.94Å; Y118-L122 HydrophobicContact CD1-CG 4.02Å; Y118-L122 HydrophobicContact CE1-CD1 3.57Å; Y118-L122 HydrophobicContact CE1-CD2 3.91Å; Y118-L122 HydrophobicContact CE1-CG 3.65Å; Y118-L122 PolarHBondContact O-N 3.16Å; Y118-P147 HydrophobicContact CD2-CB 3.97Å; Y118-P147 HydrophobicContact CE2-CB 4.43Å
119R73.7Confident72.5Confident160 Ų16080.1 Ų80.160%0.60438%0.38SS*.Hα-helixtrans-62-44.3173-73.6-173.3-80.2162.8-5.8112.4S115 P116 Y121 L122 H123S115-R119 PolarHBondContact O-N 2.83Å; P116-R119 PolarHBondContact O-N 2.93Å; R119-Y121 VanDerWaalsContact C-N 3.27Å; R119-Y121 PolarHBondContact O-N 3.39Å; R119-L122 PolarHBondContact O-N 3.45Å; R119-H123 PolarHBondContact O-N 2.97Å; R119-H123 VanDerWaalsContact O-N 3.14Å
120K70.4Confident70.6Confident133 Ų13383 Ų8358%0.57839%0.393SS*.Hα-helixtrans-60-40.7173.1-172.4178.2-178.3176.70111.1P116 Y117 H123 F124P116-K120 WeakPolarHBondContact O-CB 3.43Å; P116-K120 PolarHBondContact O-N 2.94Å; Y117-K120 PolarHBondContact O-N 3.29Å; K120-H123 WeakPolarHBondContact O-CB 3.03Å; K120-H123 PolarHBondContact O-N 3.21Å; K120-F124 HydrophobicContact CD-CE2 4.28Å; K120-F124 HydrophobicContact CG-CD2 4.29Å; K120-F124 HydrophobicContact CG-CE2 3.77Å; K120-F124 WeakPolarHBondContact O-CD2 3.39Å; K120-F124 PolarHBondContact O-N 3.11Å
121Y70.5Confident68.8Low14 Ų1480.2 Ų80.26%0.05538%0.38CS..Hα-helixtrans-60.8-49.1173.4158.2-104.4000112.7Y117 Y118 R119 H123 F124 T125 F146 L377 K378 P381Y117-Y121 WeakPolarHBondContact O-CB 3.33Å; Y117-Y121 PolarHBondContact O-N 3.29Å; Y118-Y121 AromaticContact CD2-CD1 3.71Å; Y118-Y121 HydrophobicContact CD2-CD1 3.71Å; Y118-Y121 HydrophobicContact CD2-CE1 4.23Å; Y118-Y121 AromaticContact CE2-CD1 3.63Å; Y118-Y121 HydrophobicContact CE2-CD1 3.63Å; Y118-Y121 AromaticContact CE2-CE1 3.69Å; Y118-Y121 HydrophobicContact CE2-CE1 3.69Å; Y118-Y121 HydrophobicContact CG-CD1 4.42Å; Y118-Y121 CarbonylContact O-C 3.43Å; Y118-Y121 WeakPolarHBondContact O-CA 3.47Å; Y118-Y121 VanDerWaalsContact O-CB 3.28Å; Y118-Y121 WeakPolarHBondContact O-CB 3.42Å; Y118-Y121 PolarHBondContact O-N 2.74Å; R119-Y121 VanDerWaalsContact C-N 3.27Å; R119-Y121 PolarHBondContact O-N 3.39Å; Y121-H123 PolarHBondContact O-N 3.14Å; Y121-F124 WeakPolarHBondContact O-CA 3.32Å; Y121-F124 WeakPolarHBondContact O-CB 3.39Å; Y121-F124 PolarHBondContact O-N 3.27Å; Y121-T125 HydrophobicContact CD2-CG2 3.86Å; Y121-T125 HydrophobicContact CE1-CG2 4.05Å; Y121-T125 HydrophobicContact CE2-CG2 3.23Å; Y121-T125 HydrophobicContact CG-CG2 4.48Å; Y121-T125 PolarHBondContact O-N 3.26Å; Y121-F146 HydrophobicContact CD1-CD2 4.5Å; Y121-F146 AromaticContact CD1-CE2 3.74Å; Y121-F146 HydrophobicContact CD1-CE2 3.74Å; Y121-F146 AromaticContact CD2-CD2 3.37Å; Y121-F146 HydrophobicContact CD2-CD2 3.37Å; Y121-F146 AromaticContact CD2-CE2 3.11Å; Y121-F146 HydrophobicContact CD2-CE2 3.11Å; Y121-F146 HydrophobicContact CD2-CZ 4.12Å; Y121-F146 AromaticContact CE1-CE2 3.52Å; Y121-F146 HydrophobicContact CE1-CE2 3.52Å; Y121-F146 HydrophobicContact CE1-CZ 4.02Å; Y121-F146 AromaticContact CE2-CD2 3.53Å; Y121-F146 HydrophobicContact CE2-CD2 3.53Å; Y121-F146 HydrophobicContact CE2-CE1 4.49Å; Y121-F146 AromaticContact CE2-CE2 2.87Å; Y121-F146 HydrophobicContact CE2-CE2 2.87Å; Y121-F146 AromaticContact CE2-CZ 3.43Å; Y121-F146 HydrophobicContact CE2-CZ 3.43Å; Y121-F146 VanDerWaalsContact CE2-CZ 3.43Å; Y121-F146 AromaticContact CG-CD2 3.86Å; Y121-F146 HydrophobicContact CG-CD2 3.86Å; Y121-F146 AromaticContact CG-CE2 3.5Å; Y121-F146 HydrophobicContact CG-CE2 3.5Å; Y121-F146 AromaticContact CZ-CE2 3.03Å; Y121-F146 AromaticContact CZ-CZ 3.31Å; Y121-F146 WeakPolarHBondContact OH-CE2 3.46Å; Y121-F146 WeakPolarHBondContact OH-CZ 3.15Å; Y121-L377 PolarHBondContact OH-O 2.71Å; Y121-L377 VanDerWaalsContact OH-O 3.06Å; Y121-K378 WeakPolarHBondContact OH-CA 3.4Å; Y121-K378 PolarHBondContact OH-O 2.96Å; Y121-P381 HydrophobicContact CD2-CB 3.98Å; Y121-P381 HydrophobicContact CD2-CG 3.81Å; Y121-P381 HydrophobicContact CE2-CB 3.67Å; Y121-P381 HydrophobicContact CE2-CG 3.58Å
122L69.3Low67Low74 Ų7483.9 Ų83.939%0.38740%0.397SS..Hα-helixtrans-54.6-40.6177.1-74.9177.8000111.1Y118 R119 F124 T125 T126Y118-L122 HydrophobicContact CD1-CD1 3.94Å; Y118-L122 HydrophobicContact CD1-CG 4.02Å; Y118-L122 HydrophobicContact CE1-CD1 3.57Å; Y118-L122 HydrophobicContact CE1-CD2 3.91Å; Y118-L122 HydrophobicContact CE1-CG 3.65Å; Y118-L122 PolarHBondContact O-N 3.16Å; R119-L122 PolarHBondContact O-N 3.45Å; L122-F124 VanDerWaalsContact C-N 3.32Å; L122-F124 PolarHBondContact O-N 3.19Å; L122-T125 PolarHBondContact O-N 3.03Å; L122-T125 PolarHBondContact O-OG1 2.85Å; L122-T126 PolarHBondContact O-N 2.99Å
123H68.5Low65.2Low108 Ų10892.3 Ų92.350%0.544%0.438SS..Hα-helixtrans-62.3-35.8175.7-159.969.7000113.4R119 K120 Y121 T125 T126R119-H123 PolarHBondContact O-N 2.97Å; R119-H123 VanDerWaalsContact O-N 3.14Å; K120-H123 WeakPolarHBondContact O-CB 3.03Å; K120-H123 PolarHBondContact O-N 3.21Å; Y121-H123 PolarHBondContact O-N 3.14Å; H123-T125 VanDerWaalsContact C-N 3.32Å; H123-T126 PolarHBondContact O-OG1 2.8Å
124F62Low63.7Low77 Ų7796.7 Ų96.734%0.33845%0.452SS..Hα-helixtrans-71-23.9171.7-71.8-62.7000113.2K120 Y121 L122 N131K120-F124 HydrophobicContact CD-CE2 4.28Å; K120-F124 HydrophobicContact CG-CD2 4.29Å; K120-F124 HydrophobicContact CG-CE2 3.77Å; K120-F124 WeakPolarHBondContact O-CD2 3.39Å; K120-F124 PolarHBondContact O-N 3.11Å; Y121-F124 WeakPolarHBondContact O-CA 3.32Å; Y121-F124 WeakPolarHBondContact O-CB 3.39Å; Y121-F124 PolarHBondContact O-N 3.27Å; L122-F124 VanDerWaalsContact C-N 3.32Å; L122-F124 PolarHBondContact O-N 3.19Å; F124-N131 WeakPolarHBondContact CD1-OD1 3.4Å; F124-N131 PolarHBondContact O-ND2 3.5Å
125T66.4Low62.3Low25 Ų2593.1 Ų93.115%0.15344%0.436CS..Hα-helixtrans-82.7-15.1-18063.80000114.4Y121 L122 H123 L377Y121-T125 HydrophobicContact CD2-CG2 3.86Å; Y121-T125 HydrophobicContact CE1-CG2 4.05Å; Y121-T125 HydrophobicContact CE2-CG2 3.23Å; Y121-T125 HydrophobicContact CG-CG2 4.48Å; Y121-T125 PolarHBondContact O-N 3.26Å; L122-T125 PolarHBondContact O-N 3.03Å; L122-T125 PolarHBondContact O-OG1 2.85Å; H123-T125 VanDerWaalsContact C-N 3.32Å; T125-L377 HydrophobicContact CG2-CB 3.99Å; T125-L377 WeakPolarHBondContact CG2-O 3.31Å
126T65.1Low61.2Low99 Ų9994.9 Ų94.961%0.60745%0.447SS*.Hα-helixtrans-95.6-20.5-175.1540000114.7L122 H123L122-T126 PolarHBondContact O-N 2.99Å; H123-T126 PolarHBondContact O-OG1 2.8Å
127R57.2Low60.1Low138 Ų13893.5 Ų93.552%0.52145%0.447SS..  trans-102.796.8177.9-65.9-172.8-179.6-165.51.1111.1N131R127-N131 PolarHBondContact O-ND2 3.04Å
128I54.8Low59.3Low74 Ų7489.9 Ų89.938%0.37944%0.435SS..Hα-helixtrans-67.2-42.6-171.8-65.9161000112.2Y365 L377I128-Y365 HydrophobicContact CD1-CD1 3.95Å; I128-Y365 HydrophobicContact CD1-CE1 3.53Å; I128-Y365 HydrophobicContact CG1-CE1 4.12Å; I128-Y365 HydrophobicContact CG2-CE1 4.12Å; I128-Y365 HydrophobicContact CG2-CE2 4.13Å; I128-L377 HydrophobicContact CG1-CD1 4.46Å
129E51.2Low58.4Low184 Ų18499.2 Ų99.286%0.8647%0.471SS*.Hα-helixtrans-73.5-39.9-169-65.5179.7167.300113.8N131E129-N131 VanDerWaalsContact C-N 3.3Å; E129-N131 PolarHBondContact O-N 3.43Å
130D48.7Very low57.5Low78 Ų7893 Ų9342%0.41745%0.452SS..Hα-helixtrans-71.2-21.4-178.7-78.7-29.4000113.9R134D130-R134 WeakPolarHBondContact O-CG 3.39Å
131N49.6Very low56.7Low22 Ų2291.7 Ų91.712%0.11846%0.459CS..Hα-helixtrans-98.1-19.5-161.4-74.2-42.2000115.4F124 R127 E129 M133F124-N131 WeakPolarHBondContact CD1-OD1 3.4Å; F124-N131 PolarHBondContact O-ND2 3.5Å; R127-N131 PolarHBondContact O-ND2 3.04Å; E129-N131 VanDerWaalsContact C-N 3.3Å; E129-N131 PolarHBondContact O-N 3.43Å; N131-M133 VanDerWaalsContact C-N 3.26Å; N131-M133 PolarHBondContact O-N 3.13Å
132M49Very low56.1Low130 Ų13091.8 Ų91.864%0.6446%0.464SS*.THydrogen-bonded Turntrans-65.3-31.8170.2-74.2-177.969.500111.7
133M46.6Very low56Low182 Ų18288.7 Ų88.790%0.89745%0.448SS*.THydrogen-bonded Turntrans-86-24.8179.9-73.8-167.6164.800114.6N131N131-M133 VanDerWaalsContact C-N 3.26Å; N131-M133 PolarHBondContact O-N 3.13Å
134R50.1Low55.8Low182 Ų18286.5 Ų86.569%0.68744%0.44SS*.  trans-106.116.6-170.2-67.6-174.5-179.7-1703115.6D130 P136D130-R134 WeakPolarHBondContact O-CG 3.39Å; R134-P136 WeakPolarHBondContact O-CD 3.38Å; R134-P136 VanDerWaalsContact O-N 3.12Å
135S53.8Low55.8Low31 Ų3185.9 Ų85.922%0.21744%0.439CS..PPolyproline II helixtrans-59.3120.5172.7-72.30000109S383S135-S383 WeakPolarHBondContact CB-OG 3.41Å; S135-S383 VanDerWaalsContact OG-CB 3.3Å; S135-S383 WeakPolarHBondContact OG-CB 3.34Å; S135-S383 PolarHBondContact OG-N 3.22Å; S135-S383 PolarHBondContact OG-OG 3.44Å; S135-S383 VanDerWaalsContact OG-OG 3.07Å
136P55.7Low55.6Low45 Ų4585.3 Ų85.329%0.29244%0.435SS..PPolyproline II helixtrans-67.1147.4179.437.3-39.6000107.2R134 S140 W382R134-P136 WeakPolarHBondContact O-CD 3.38Å; R134-P136 VanDerWaalsContact O-N 3.12Å; P136-S140 WeakPolarHBondContact CB-OG 3.35Å; P136-S140 WeakPolarHBondContact CG-OG 3.43Å; P136-W382 HydrophobicContact CG-CE3 4.28Å; P136-W382 HydrophobicContact CG-CH2 4.22Å; P136-W382 HydrophobicContact CG-CZ3 3.86Å
137G54.8Low55.5Low51 Ų5180.8 Ų80.853%0.52641%0.407SS..PPolyproline II helixtrans-52.6154.8-174.700000111.7W139 S140G137-W139 PolarHBondContact O-N 2.76Å; G137-S140 VanDerWaalsContact O-CB 3.22Å; G137-S140 WeakPolarHBondContact O-CB 3.46Å; G137-S140 PolarHBondContact O-N 3.25Å; G137-S140 PolarHBondContact O-OG 3.24Å
138L54.9Low56.4Low42 Ų4274.5 Ų74.522%0.2238%0.384CS..THydrogen-bonded Turntrans-47.8-28.7177.4-83.9141.5000113.3Y143L138-Y143 HydrophobicContact CD2-CE1 4.2Å; L138-Y143 HydrophobicContact CD2-CE2 4.26Å
139W54.6Low57.5Low235 Ų23573.6 Ų73.689%0.8938%0.382SS*.THydrogen-bonded Turntrans-96.84-179.2-53.4110.9000114.7G137G137-W139 PolarHBondContact O-N 2.76Å
140S54.5Low59.3Low30 Ų3066.8 Ų66.821%0.2135%0.351CS..SBendtrans-74144177.766.30000110.8P136 G137 G142 Y143P136-S140 WeakPolarHBondContact CB-OG 3.35Å; P136-S140 WeakPolarHBondContact CG-OG 3.43Å; G137-S140 VanDerWaalsContact O-CB 3.22Å; G137-S140 WeakPolarHBondContact O-CB 3.46Å; G137-S140 PolarHBondContact O-N 3.25Å; G137-S140 PolarHBondContact O-OG 3.24Å; S140-G142 PolarHBondContact O-N 2.85Å; S140-G142 VanDerWaalsContact O-N 3.12Å; S140-Y143 WeakPolarHBondContact O-CB 3.48Å; S140-Y143 PolarHBondContact O-N 2.77Å; S140-Y143 PolarHBondContact OG-N 3.31Å
141S53.3Low61.3Low104 Ų10467.7 Ų67.773%0.72736%0.356SS*.THydrogen-bonded Turntrans-54.5-31.9171.855.30000112.1Y143 L145S141-Y143 VanDerWaalsContact C-N 3.34Å; S141-Y143 PolarHBondContact O-N 2.91Å; S141-L145 WeakPolarHBondContact O-CD2 3.49Å; S141-L145 VanDerWaalsContact O-CG 3.29Å; S141-L145 WeakPolarHBondContact O-CG 3.26Å
142G59.1Low63.3Low16 Ų1667 Ų6717%0.16535%0.352CS..THydrogen-bonded Turntrans-61.8-32.9176.300000114.9S140 N144 L145 W382S140-G142 PolarHBondContact O-N 2.85Å; S140-G142 VanDerWaalsContact O-N 3.12Å; G142-N144 PolarHBondContact O-N 2.93Å; G142-L145 WeakPolarHBondContact O-CB 3.41Å; G142-L145 WeakPolarHBondContact O-CG 3.43Å; G142-L145 PolarHBondContact O-N 3.06Å; G142-W382 WeakPolarHBondContact O-CH2 3.26Å; G142-W382 WeakPolarHBondContact O-CZ2 3.47Å
143Y66.2Low65.5Low9 Ų964.6 Ų64.64%0.03534%0.342CS..G310 helixtrans-65-40.2-176.3-168-95.1000112.4L138 S140 S141 L145 W382 R384 P386L138-Y143 HydrophobicContact CD2-CE1 4.2Å; L138-Y143 HydrophobicContact CD2-CE2 4.26Å; S140-Y143 WeakPolarHBondContact O-CB 3.48Å; S140-Y143 PolarHBondContact O-N 2.77Å; S140-Y143 PolarHBondContact OG-N 3.31Å; S141-Y143 VanDerWaalsContact C-N 3.34Å; S141-Y143 PolarHBondContact O-N 2.91Å; Y143-L145 PolarHBondContact O-N 3.38Å; Y143-W382 HydrophobicContact CD2-CB 4.29Å; Y143-W382 AromaticContact CD2-CD1 3.76Å; Y143-W382 HydrophobicContact CD2-CD2 4.27Å; Y143-W382 AromaticContact CD2-CG 3.87Å; Y143-W382 HydrophobicContact CD2-CG 3.87Å; Y143-W382 HydrophobicContact CE2-CB 3.75Å; Y143-W382 AromaticContact CE2-CD1 3.56Å; Y143-W382 AromaticContact CE2-CG 3.7Å; Y143-W382 HydrophobicContact CE2-CG 3.7Å; Y143-W382 AromaticContact CZ-CD1 3.97Å; Y143-W382 PolarHBondContact O-NE1 2.7Å; Y143-R384 PolarHBondContact OH-O 2.82Å; Y143-P386 HydrophobicContact CE1-CB 4.14Å; Y143-P386 HydrophobicContact CE1-CG 4.48Å; Y143-P386 WeakPolarHBondContact OH-CD 3.3Å
144N65.1Low67.8Low62 Ų6261.8 Ų61.833%0.33233%0.325SS..G310 helixtrans-72.7-11.8-179.8-70.1-18.3000113.3G142 F146 N426 K427G142-N144 PolarHBondContact O-N 2.93Å; N144-F146 PolarHBondContact O-N 2.83Å; N144-N426 PolarHBondContact OD1-ND2 2.75Å; N144-K427 PolarHBondContact O-NZ 2.72Å
145L61.9Low69.9Low64 Ų6453.8 Ų53.834%0.33530%0.296SS..G310 helixtrans-75.8-4.7-171.6-53.1179.4000114.5Y117 S141 G142 Y143 P147 T149Y117-L145 HydrophobicContact CD1-CD1 4.29Å; Y117-L145 HydrophobicContact CE1-CD1 4.27Å; S141-L145 WeakPolarHBondContact O-CD2 3.49Å; S141-L145 VanDerWaalsContact O-CG 3.29Å; S141-L145 WeakPolarHBondContact O-CG 3.26Å; G142-L145 WeakPolarHBondContact O-CB 3.41Å; G142-L145 WeakPolarHBondContact O-CG 3.43Å; G142-L145 PolarHBondContact O-N 3.06Å; Y143-L145 PolarHBondContact O-N 3.38Å; L145-P147 CarbonylContact O-C 3.59Å; L145-T149 HydrophobicContact CB-CG2 3.58Å; L145-T149 HydrophobicContact CD2-CG2 3.46Å; L145-T149 VanDerWaalsContact CD2-CG2 3.46Å; L145-T149 HydrophobicContact CG-CG2 4.03Å
146F62.5Low71.9Confident14 Ų1453.4 Ų53.46%0.06129%0.291CS..SBendtrans-95.5133.7-166-176.1-107.2000115.6Y121 N144 Q148 E379 F380 P381 W382 Q412 K427Y121-F146 HydrophobicContact CD1-CD2 4.5Å; Y121-F146 AromaticContact CD1-CE2 3.74Å; Y121-F146 HydrophobicContact CD1-CE2 3.74Å; Y121-F146 AromaticContact CD2-CD2 3.37Å; Y121-F146 HydrophobicContact CD2-CD2 3.37Å; Y121-F146 AromaticContact CD2-CE2 3.11Å; Y121-F146 HydrophobicContact CD2-CE2 3.11Å; Y121-F146 HydrophobicContact CD2-CZ 4.12Å; Y121-F146 AromaticContact CE1-CE2 3.52Å; Y121-F146 HydrophobicContact CE1-CE2 3.52Å; Y121-F146 HydrophobicContact CE1-CZ 4.02Å; Y121-F146 AromaticContact CE2-CD2 3.53Å; Y121-F146 HydrophobicContact CE2-CD2 3.53Å; Y121-F146 HydrophobicContact CE2-CE1 4.49Å; Y121-F146 AromaticContact CE2-CE2 2.87Å; Y121-F146 HydrophobicContact CE2-CE2 2.87Å; Y121-F146 AromaticContact CE2-CZ 3.43Å; Y121-F146 HydrophobicContact CE2-CZ 3.43Å; Y121-F146 VanDerWaalsContact CE2-CZ 3.43Å; Y121-F146 AromaticContact CG-CD2 3.86Å; Y121-F146 HydrophobicContact CG-CD2 3.86Å; Y121-F146 AromaticContact CG-CE2 3.5Å; Y121-F146 HydrophobicContact CG-CE2 3.5Å; Y121-F146 AromaticContact CZ-CE2 3.03Å; Y121-F146 AromaticContact CZ-CZ 3.31Å; Y121-F146 WeakPolarHBondContact OH-CE2 3.46Å; Y121-F146 WeakPolarHBondContact OH-CZ 3.15Å; N144-F146 PolarHBondContact O-N 2.83Å; F146-Q148 VanDerWaalsContact C-N 3.29Å; F146-E379 WeakPolarHBondContact CE1-O 3.29Å; F146-F380 HydrophobicContact CD1-CD2 4.34Å; F146-P381 HydrophobicContact CB-CG 4.27Å; F146-P381 HydrophobicContact CD1-CG 3.94Å; F146-P381 HydrophobicContact CD2-CG 3.57Å; F146-P381 HydrophobicContact CE1-CG 4.25Å; F146-P381 HydrophobicContact CE2-CG 4Å; F146-P381 HydrophobicContact CG-CG 3.57Å; F146-P381 HydrophobicContact CZ-CG 4.29Å; F146-W382 HydrophobicContact CB-CZ2 3.94Å; F146-Q412 HydrophobicContact CE1-CB 4Å; F146-Q412 HydrophobicContact CE1-CG 3.96Å; F146-Q412 HydrophobicContact CZ-CB 4.29Å; F146-Q412 HydrophobicContact CZ-CG 3.99Å; F146-K427 WeakPolarHBondContact O-CE 3.39Å; F146-K427 PolarHBondContact O-NZ 2.81Å
147P61.5Low73.9Confident4 Ų457.3 Ų57.33%0.02630%0.301CS..SBendcis-80.8-7.5-38.432.7-32.1000112.7Y118 L145 I170 Q412Y118-P147 HydrophobicContact CD2-CB 3.97Å; Y118-P147 HydrophobicContact CE2-CB 4.43Å; L145-P147 CarbonylContact O-C 3.59Å; P147-I170 HydrophobicContact CB-CD1 4.11Å; P147-I170 HydrophobicContact CG-CD1 3.33Å; P147-Q412 VanDerWaalsContact CD-CB 3.41Å; P147-Q412 HydrophobicContact CG-CB 3.63Å; P147-Q412 HydrophobicContact CG-CG 4.39Å
148Q76.3Confident75.8Confident6 Ų656.2 Ų56.23%0.02828%0.283CS..  trans-106.9118175.4-67.5-167.9-73.100110.3P112 F146 L150 T167 L168 I170 F410 K427P112-Q148 HydrophobicContact CB-CG 3.75Å; F146-Q148 VanDerWaalsContact C-N 3.29Å; Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 HydrophobicContact CB-CD1 3.88Å; Q148-L150 HydrophobicContact CB-CG 3.97Å; Q148-L150 HydrophobicContact CG-CD1 4.46Å; Q148-L150 PolarHBondContact O-N 3.05Å; Q148-T167 VanDerWaalsContact NE2-CG2 3.28Å; Q148-L168 PolarHBondContact NE2-O 2.95Å; Q148-I170 HydrophobicContact CG-CB 4.39Å; Q148-I170 HydrophobicContact CG-CG2 4.41Å; Q148-F410 PolarHBondContact OE1-O 2.99Å; Q148-K427 PolarHBondContact O-NZ 3.41Å
149T78.5Confident77.7Confident55 Ų5554.3 Ų54.334%0.33727%0.273SS..  trans-84.568.3172.554.60000109.7Y117 L145Y117-T149 HydrophobicContact CD1-CG2 4Å; Y117-T149 HydrophobicContact CD2-CG2 4.07Å; Y117-T149 HydrophobicContact CE1-CG2 4.32Å; Y117-T149 HydrophobicContact CE2-CG2 4.39Å; Y117-T149 HydrophobicContact CG-CG2 3.87Å; L145-T149 HydrophobicContact CB-CG2 3.58Å; L145-T149 HydrophobicContact CD2-CG2 3.46Å; L145-T149 VanDerWaalsContact CD2-CG2 3.46Å; L145-T149 HydrophobicContact CG-CG2 4.03Å
150L88Confident79.6Confident40 Ų4045 Ų4521%0.20925%0.246CC..  trans-106.1145.4-178.3-62.2171.5000110.3Q148 F152 V155 T167 F410Q148-L150 VanDerWaalsContact C-N 3.3Å; Q148-L150 HydrophobicContact CB-CD1 3.88Å; Q148-L150 HydrophobicContact CB-CG 3.97Å; Q148-L150 HydrophobicContact CG-CD1 4.46Å; Q148-L150 PolarHBondContact O-N 3.05Å; L150-F152 HydrophobicContact CB-CD2 4.24Å; L150-F152 HydrophobicContact CB-CE2 4.08Å; L150-F152 WeakPolarHBondContact O-CD2 3.34Å; L150-F152 PolarHBondContact O-N 3.24Å; L150-V155 HydrophobicContact CB-CG2 3.91Å; L150-V155 HydrophobicContact CD1-CG2 4.07Å; L150-V155 HydrophobicContact CG-CG2 4.44Å; L150-T167 HydrophobicContact CD2-CG2 4.26Å; L150-F410 HydrophobicContact CD1-CB 4.05Å; L150-F410 HydrophobicContact CD1-CD1 3.67Å; L150-F410 HydrophobicContact CD1-CE1 4.49Å; L150-F410 HydrophobicContact CD1-CG 4.19Å
151D90.6Very high81.5Confident98 Ų9847.6 Ų47.652%0.52426%0.258SS..  trans-72.1101.4159.8176.2-8.5000107.4D153 K154 V155D151-D153 VanDerWaalsContact C-N 3.29Å; D151-D153 PolarHBondContact O-N 3.34Å; D151-D153 PolarHBondContact OD1-N 3.31Å; D151-K154 HydrophobicContact CB-CB 3.99Å; D151-K154 PolarHBondContact O-N 3.44Å; D151-K154 PolarHBondContact OD1-N 2.85Å; D151-K154 VanDerWaalsContact OD1-N 3.14Å; D151-V155 WeakPolarHBondContact O-CG2 3.18Å; D151-V155 PolarHBondContact O-N 3.32Å
152F93.1Very high83.4Confident7 Ų743.7 Ų43.73%0.03123%0.234CC..Hα-helixtrans-67.5-30-176.6-88.7-103.7000112.2L150 K154 V155 I156 A407 F410 K427 L428L150-F152 HydrophobicContact CB-CD2 4.24Å; L150-F152 HydrophobicContact CB-CE2 4.08Å; L150-F152 WeakPolarHBondContact O-CD2 3.34Å; L150-F152 PolarHBondContact O-N 3.24Å; F152-K154 VanDerWaalsContact C-N 3.31Å; F152-K154 PolarHBondContact O-N 3.48Å; F152-V155 PolarHBondContact O-N 3.38Å; F152-I156 WeakPolarHBondContact O-CB 3.03Å; F152-I156 VanDerWaalsContact O-CG1 3.22Å; F152-I156 WeakPolarHBondContact O-CG1 3.37Å; F152-I156 PolarHBondContact O-N 2.94Å; F152-A407 HydrophobicContact CD1-CB 3.75Å; F152-A407 HydrophobicContact CE1-CB 3.71Å; F152-F410 HydrophobicContact CE1-CB 4.14Å; F152-F410 HydrophobicContact CZ-CB 4.09Å; F152-K427 WeakPolarHBondContact CB-O 2.95Å; F152-K427 HydrophobicContact CD1-CB 4.04Å; F152-K427 HydrophobicContact CD2-CB 3.94Å; F152-K427 HydrophobicContact CD2-CD 4.14Å; F152-K427 HydrophobicContact CD2-CG 4.46Å; F152-K427 HydrophobicContact CE1-CB 3.91Å; F152-K427 HydrophobicContact CE1-CG 4.35Å; F152-K427 HydrophobicContact CE2-CB 3.86Å; F152-K427 HydrophobicContact CE2-CD 3.54Å; F152-K427 HydrophobicContact CE2-CG 3.92Å; F152-K427 HydrophobicContact CG-CB 4.05Å; F152-K427 HydrophobicContact CZ-CB 3.83Å; F152-K427 HydrophobicContact CZ-CD 3.92Å; F152-K427 HydrophobicContact CZ-CG 3.84Å; F152-L428 HydrophobicContact CB-CD2 4.19Å; F152-L428 HydrophobicContact CD1-CD2 4.31Å
153D94.2Very high85Confident80 Ų8047.3 Ų47.343%0.42825%0.245SC..Hα-helixtrans-65.9-39.6176.7-69-36.1000110.4D151 Y157 R403D151-D153 VanDerWaalsContact C-N 3.29Å; D151-D153 PolarHBondContact O-N 3.34Å; D151-D153 PolarHBondContact OD1-N 3.31Å; D153-Y157 VanDerWaalsContact O-CB 3.31Å; D153-Y157 WeakPolarHBondContact O-CB 3.43Å; D153-Y157 PolarHBondContact O-N 2.83Å; D153-R403 IonicContact OD1-CZ 2.71Å; D153-R403 IonicContact OD1-NH2 3Å; D153-R403 PolarHBondContact OD1-NH2 2.92Å
154K95Very high86.2Confident123 Ų12350 Ų5054%0.53526%0.264SS..Hα-helixtrans-65.4-41.7170.4-172.4174.9-177.7177.40112.9D151 F152 Y157 N158D151-K154 HydrophobicContact CB-CB 3.99Å; D151-K154 PolarHBondContact O-N 3.44Å; D151-K154 PolarHBondContact OD1-N 2.85Å; D151-K154 VanDerWaalsContact OD1-N 3.14Å; F152-K154 VanDerWaalsContact C-N 3.31Å; F152-K154 PolarHBondContact O-N 3.48Å; K154-Y157 PolarHBondContact O-N 3.05Å; K154-N158 VanDerWaalsContact O-CB 3.29Å; K154-N158 WeakPolarHBondContact O-CB 3.15Å; K154-N158 VanDerWaalsContact O-CG 3.26Å; K154-N158 PolarHBondContact O-N 3.41Å
155V94.6Very high87.3Confident14 Ų1447.5 Ų47.59%0.08525%0.251CS..Hα-helixtrans-61.1-46.4176.7169.60000111L150 D151 F152 N158 A159 I406 F410L150-V155 HydrophobicContact CB-CG2 3.91Å; L150-V155 HydrophobicContact CD1-CG2 4.07Å; L150-V155 HydrophobicContact CG-CG2 4.44Å; D151-V155 WeakPolarHBondContact O-CG2 3.18Å; D151-V155 PolarHBondContact O-N 3.32Å; F152-V155 PolarHBondContact O-N 3.38Å; V155-N158 PolarHBondContact O-N 3.41Å; V155-A159 VanDerWaalsContact O-CB 3.31Å; V155-A159 WeakPolarHBondContact O-CB 3.44Å; V155-A159 PolarHBondContact O-N 3.01Å; V155-I406 HydrophobicContact CG1-CG2 4.19Å; V155-F410 HydrophobicContact CG1-CD1 4.48Å; V155-F410 HydrophobicContact CG1-CD2 3.51Å; V155-F410 HydrophobicContact CG1-CE2 3.54Å; V155-F410 HydrophobicContact CG1-CG 3.99Å; V155-F410 HydrophobicContact CG1-CZ 4.04Å
156I96.3Very high88.7Confident22 Ų2248.6 Ų48.611%0.11326%0.261CS..Hα-helixtrans-60.3-50.6176.2-65.9-44.9000109.9F152 N158 A159 A160 R403 I406 L428F152-I156 WeakPolarHBondContact O-CB 3.03Å; F152-I156 VanDerWaalsContact O-CG1 3.22Å; F152-I156 WeakPolarHBondContact O-CG1 3.37Å; F152-I156 PolarHBondContact O-N 2.94Å; I156-N158 PolarHBondContact O-N 2.02Å; I156-A159 PolarHBondContact O-N 3.41Å; I156-A160 VanDerWaalsContact O-CB 3.24Å; I156-A160 WeakPolarHBondContact O-CB 3.19Å; I156-A160 PolarHBondContact O-N 3.29Å; I156-R403 HydrophobicContact CD1-CB 4.32Å; I156-R403 WeakPolarHBondContact CD1-O 3.43Å; I156-R403 HydrophobicContact CG1-CB 4.39Å; I156-R403 HydrophobicContact CG1-CG 4.33Å; I156-R403 HydrophobicContact CG2-CG 4.06Å; I156-I406 HydrophobicContact CD1-CB 3.5Å; I156-I406 HydrophobicContact CD1-CD1 4.1Å; I156-I406 HydrophobicContact CD1-CG1 4.39Å; I156-I406 HydrophobicContact CD1-CG2 3.59Å; I156-I406 HydrophobicContact CG2-CD1 4.39Å; I156-L428 HydrophobicContact CD1-CD2 4.17Å; I156-L428 HydrophobicContact CG1-CD2 3.88Å
157Y96.3Very high89.9Confident128 Ų12848.4 Ų48.450%0.50226%0.261SS..Hα-helixtrans-58.4-47.4-179.8177.9-94.6000111.8D153 K154 A160 N161 F163D153-Y157 VanDerWaalsContact O-CB 3.31Å; D153-Y157 WeakPolarHBondContact O-CB 3.43Å; D153-Y157 PolarHBondContact O-N 2.83Å; K154-Y157 PolarHBondContact O-N 3.05Å; Y157-A160 PolarHBondContact O-N 3.47Å; Y157-N161 WeakPolarHBondContact CD2-ND2 3.27Å; Y157-N161 WeakPolarHBondContact CE2-ND2 3.22Å; Y157-N161 WeakPolarHBondContact O-CB 3.14Å; Y157-N161 PolarHBondContact O-N 2.87Å; Y157-N161 PolarHBondContact O-ND2 3.43Å; Y157-F163 HydrophobicContact CD1-CD2 4.12Å; Y157-F163 HydrophobicContact CD1-CE2 4.28Å; Y157-F163 AromaticContact CE1-CD2 3.69Å; Y157-F163 HydrophobicContact CE1-CD2 3.69Å; Y157-F163 AromaticContact CE1-CE2 3.43Å; Y157-F163 HydrophobicContact CE1-CE2 3.43Å; Y157-F163 VanDerWaalsContact CE1-CE2 3.43Å; Y157-F163 AromaticContact CZ-CE2 3.9Å
158N95.3Very high91.3Very high27 Ų2751 Ų5114%0.14427%0.274CS..Hα-helixtrans-63.3-48.4-180-76.6-1.3000111.8K154 V155 I156 A160 N161 G162 F163K154-N158 VanDerWaalsContact O-CB 3.29Å; K154-N158 WeakPolarHBondContact O-CB 3.15Å; K154-N158 VanDerWaalsContact O-CG 3.26Å; K154-N158 PolarHBondContact O-N 3.41Å; V155-N158 PolarHBondContact O-N 3.41Å; I156-N158 PolarHBondContact O-N 2.02Å; N158-A160 PolarHBondContact O-N 2.89Å; N158-N161 CarbonylContact O-C 3.54Å; N158-N161 PolarHBondContact O-N 3.46Å; N158-G162 CarbonylContact O-C 3.58Å; N158-G162 PolarHBondContact O-N 3.21Å; N158-F163 HydrophobicContact CB-CB 3.94Å; N158-F163 PolarHBondContact O-N 2.87Å
159A95Very high92Very high2 Ų251.9 Ų51.92%0.01728%0.28CS..Hα-helixtrans-61.3-44.2177.700000111.7N80 W81 I103 V155 I156 N161 G162 I406N80-A159 CarbonylContact C-O 3.14Å; N80-A159 WeakPolarHBondContact CA-O 3.21Å; W81-A159 PolarHBondContact N-O 3.14Å; I103-A159 HydrophobicContact CD1-CB 4.41Å; I103-A159 HydrophobicContact CG2-CB 4.14Å; V155-A159 VanDerWaalsContact O-CB 3.31Å; V155-A159 WeakPolarHBondContact O-CB 3.44Å; V155-A159 PolarHBondContact O-N 3.01Å; I156-A159 PolarHBondContact O-N 3.41Å; A159-N161 VanDerWaalsContact C-N 3.28Å; A159-N161 PolarHBondContact O-N 3.01Å; A159-G162 PolarHBondContact O-N 3.19Å; A159-I406 HydrophobicContact CB-CD1 4Å; A159-I406 HydrophobicContact CB-CG1 4.28Å; A159-I406 HydrophobicContact CB-CG2 3.64Å
160A94.7Very high92.6Very high39 Ų3950.3 Ų50.332%0.32227%0.27SS..Hα-helixtrans-66.8-26.4-179.400000113.9N80 I156 Y157 N158N80-A160 WeakPolarHBondContact CB-O 3.41Å; I156-A160 VanDerWaalsContact O-CB 3.24Å; I156-A160 WeakPolarHBondContact O-CB 3.19Å; I156-A160 PolarHBondContact O-N 3.29Å; Y157-A160 PolarHBondContact O-N 3.47Å; N158-A160 PolarHBondContact O-N 2.89Å
161N94.3Very high92.8Very high86 Ų8649.4 Ų49.446%0.4627%0.265SS..Hα-helixtrans-105.62.2-180-67.5-81.1000113.6Y157 N158 A159 F163Y157-N161 WeakPolarHBondContact CD2-ND2 3.27Å; Y157-N161 WeakPolarHBondContact CE2-ND2 3.22Å; Y157-N161 WeakPolarHBondContact O-CB 3.14Å; Y157-N161 PolarHBondContact O-N 2.87Å; Y157-N161 PolarHBondContact O-ND2 3.43Å; N158-N161 CarbonylContact O-C 3.54Å; N158-N161 PolarHBondContact O-N 3.46Å; A159-N161 VanDerWaalsContact C-N 3.28Å; A159-N161 PolarHBondContact O-N 3.01Å; N161-F163 VanDerWaalsContact C-N 3.31Å; N161-F163 HydrophobicContact CB-CD2 3.63Å; N161-F163 HydrophobicContact CB-CE2 3.44Å; N161-F163 VanDerWaalsContact CB-CE2 3.44Å; N161-F163 HydrophobicContact CB-CZ 4.22Å; N161-F163 PolarHBondContact O-N 2.93Å
162G92.2Very high92.9Very high22 Ų2245.9 Ų45.923%0.22725%0.246CC..THydrogen-bonded Turntrans71.122.8-179.700000114.1P104 N158 A159P104-G162 VanDerWaalsContact CG-O 3.23Å; P104-G162 WeakPolarHBondContact CG-O 3.49Å; N158-G162 CarbonylContact O-C 3.58Å; N158-G162 PolarHBondContact O-N 3.21Å; A159-G162 PolarHBondContact O-N 3.19Å
163F93.1Very high92.8Very high92 Ų9247.5 Ų47.540%0.40426%0.258SS..PPolyproline II helixtrans-77.8137.3173.1-62.9-55.9000110.9Y157 N158 N161 S165Y157-F163 HydrophobicContact CD1-CD2 4.12Å; Y157-F163 HydrophobicContact CD1-CE2 4.28Å; Y157-F163 AromaticContact CE1-CD2 3.69Å; Y157-F163 HydrophobicContact CE1-CD2 3.69Å; Y157-F163 AromaticContact CE1-CE2 3.43Å; Y157-F163 HydrophobicContact CE1-CE2 3.43Å; Y157-F163 VanDerWaalsContact CE1-CE2 3.43Å; Y157-F163 AromaticContact CZ-CE2 3.9Å; N158-F163 HydrophobicContact CB-CB 3.94Å; N158-F163 PolarHBondContact O-N 2.87Å; N161-F163 VanDerWaalsContact C-N 3.31Å; N161-F163 HydrophobicContact CB-CD2 3.63Å; N161-F163 HydrophobicContact CB-CE2 3.44Å; N161-F163 VanDerWaalsContact CB-CE2 3.44Å; N161-F163 HydrophobicContact CB-CZ 4.22Å; N161-F163 PolarHBondContact O-N 2.93Å; F163-S165 PolarHBondContact O-N 3.38Å
164P91.3Very high92.7Very high65 Ų6545.1 Ų45.142%0.42225%0.245SC..PPolyproline II helixtrans-59.1131.3180-23.432.3000113P104 T106P104-P164 HydrophobicContact CB-CB 4.09Å; P104-P164 HydrophobicContact CB-CG 4.06Å; P104-P164 HydrophobicContact CG-CG 4.36Å; P104-P164 WeakPolarHBondContact O-CA 3.04Å; T106-P164 HydrophobicContact CG2-CB 4.04Å
165S89.8Confident92.6Very high10 Ų1039.5 Ų39.57%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-77.2139171.2177.30000111P104 F105 T106 F163 T167P104-S165 PolarHBondContact O-N 3.48Å; F105-S165 VanDerWaalsContact CA-O 3.31Å; F105-S165 WeakPolarHBondContact CA-O 3.2Å; T106-S165 PolarHBondContact N-O 3.41Å; F163-S165 PolarHBondContact O-N 3.38Å; S165-T167 VanDerWaalsContact C-N 3.26Å; S165-T167 PolarHBondContact OG-N 2.89Å; S165-T167 PolarHBondContact OG-O 3.4Å
166T89.7Confident92.7Very high87 Ų8738.9 Ų38.953%0.53422%0.216SC..EExtended strand (participates in β ladder)trans-82.3-3.5174.654.20000113.1T106 A109 E110T106-T166 HydrophobicContact CG2-CG2 4.16Å; A109-T166 CarbonylContact C-O 3.46Å; A109-T166 VanDerWaalsContact CA-O 3.25Å; A109-T166 WeakPolarHBondContact CA-O 3.44Å; E110-T166 PolarHBondContact N-O 3.39Å
167T88.7Confident92.8Very high9 Ų938 Ų386%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-137.5140.5-179.6-49.70000109.3E110 Q148 L150 S165E110-T167 HydrophobicContact CB-CG2 4.34Å; E110-T167 WeakPolarHBondContact O-CA 3.48Å; E110-T167 WeakPolarHBondContact O-CG2 3.43Å; Q148-T167 VanDerWaalsContact NE2-CG2 3.28Å; L150-T167 HydrophobicContact CD2-CG2 4.26Å; S165-T167 VanDerWaalsContact C-N 3.26Å; S165-T167 PolarHBondContact OG-N 2.89Å; S165-T167 PolarHBondContact OG-O 3.4Å
168L90.5Very high92.8Very high59 Ų5932 Ų3231%0.30919%0.19SC..  trans-71.7150.8176.1-62.9176.1000111.2F105 A109 E110 Q148F105-L168 HydrophobicContact CB-CD2 4.15Å; F105-L168 HydrophobicContact CD1-CD2 3.91Å; F105-L168 HydrophobicContact CD2-CD2 4.05Å; F105-L168 HydrophobicContact CE1-CD2 4.44Å; F105-L168 HydrophobicContact CG-CD2 3.74Å; A109-L168 HydrophobicContact CB-CD2 4.08Å; A109-L168 HydrophobicContact CB-CG 4.21Å; E110-L168 PolarHBondContact O-N 3.47Å; Q148-L168 PolarHBondContact NE2-O 2.95Å
169P91.6Very high92.9Very high25 Ų2531.9 Ų31.916%0.16219%0.187CC..  trans-70.9138.9173.8-9.227.8000109.5F105 N172 A409 F410F105-P169 HydrophobicContact CE1-CG 3.69Å; F105-P169 HydrophobicContact CZ-CG 3.42Å; F105-P169 VanDerWaalsContact CZ-CG 3.42Å; P169-N172 HydrophobicContact CB-CB 3.76Å; P169-N172 HydrophobicContact CG-CB 4.24Å; P169-A409 CarbonylContact C-O 3.58Å; P169-A409 WeakPolarHBondContact CA-O 3.21Å; P169-A409 HydrophobicContact CB-CB 4.07Å; P169-A409 WeakPolarHBondContact CB-O 3.24Å; P169-F410 HydrophobicContact CB-CD1 4.22Å; P169-F410 HydrophobicContact CB-CE1 4.09Å; P169-F410 HydrophobicContact CB-CZ 4.32Å; P169-F410 HydrophobicContact CG-CE1 4.06Å; P169-F410 HydrophobicContact CG-CZ 4.05Å
170I89.8Confident93Very high22 Ų2232.5 Ų32.511%0.11319%0.19CC..SBendtrans-86-20.4178.8-159.7175.2000113.4P112 F113 P147 Q148 A409P112-I170 HydrophobicContact CB-CB 4.41Å; P112-I170 HydrophobicContact CB-CD1 4.27Å; P112-I170 HydrophobicContact CB-CG1 4.38Å; P112-I170 HydrophobicContact CG-CB 3.97Å; P112-I170 HydrophobicContact CG-CD1 4.45Å; P112-I170 HydrophobicContact CG-CG1 4.03Å; F113-I170 HydrophobicContact CD1-CD1 4.46Å; F113-I170 HydrophobicContact CE1-CD1 3.77Å; F113-I170 HydrophobicContact CE1-CG1 3.83Å; F113-I170 HydrophobicContact CE2-CG1 4.13Å; F113-I170 HydrophobicContact CZ-CD1 3.98Å; F113-I170 HydrophobicContact CZ-CG1 3.49Å; F113-I170 VanDerWaalsContact CZ-CG1 3.49Å; P147-I170 HydrophobicContact CB-CD1 4.11Å; P147-I170 HydrophobicContact CG-CD1 3.33Å; Q148-I170 HydrophobicContact CG-CB 4.39Å; Q148-I170 HydrophobicContact CG-CG2 4.41Å; I170-A409 PolarHBondContact N-O 2.86Å
171N92.2Very high93.1Very high21 Ų2130.6 Ų30.611%0.11217%0.174CC..SBendtrans-14063.2-173.7179.841000111.8P173 R307 S408 A409 T411 Y420N171-P173 WeakPolarHBondContact O-CD 3.46Å; N171-R307 PolarHBondContact O-NH2 2.99Å; N171-S408 PolarHBondContact ND2-O 2.03Å; N171-A409 CarbonylContact C-O 3.55Å; N171-A409 PolarHBondContact N-O 3.11Å; N171-A409 WeakPolarHBondContact O-CA 3.14Å; N171-T411 VanDerWaalsContact CB-O 3.24Å; N171-T411 WeakPolarHBondContact CB-O 3.37Å; N171-Y420 PolarHBondContact ND2-OH 2.73Å; N171-Y420 VanDerWaalsContact ND2-OH 3.13Å
172N92.9Very high93Very high24 Ų2431 Ų3113%0.12817%0.172CC..  trans-122.558.7179.4-168.636.7000113.6L101 P169 R307 A409L101-N172 PolarHBondContact N-ND2 3.2Å; L101-N172 PolarHBondContact N-OD1 3Å; L101-N172 PolarHBondContact O-ND2 2.85Å; P169-N172 HydrophobicContact CB-CB 3.76Å; P169-N172 HydrophobicContact CG-CB 4.24Å; N172-R307 PolarHBondContact OD1-NH1 3.36Å; N172-R307 PolarHBondContact OD1-NH2 3.19Å; N172-A409 HydrophobicContact CB-CB 4.16Å
173P91.4Very high92.7Very high41 Ų4131.6 Ų31.627%0.26617%0.173SC..  trans-67.416317632.5-36.3000111.5A100 N171 I175A100-P173 WeakPolarHBondContact CB-O 3.12Å; N171-P173 WeakPolarHBondContact O-CD 3.46Å; P173-I175 HydrophobicContact CG-CD1 4.47Å; P173-I175 HydrophobicContact CG-CG1 4.2Å; P173-I175 PolarHBondContact O-N 3.33Å
174D91.9Very high92.6Very high29 Ų2927.3 Ų27.316%0.15515%0.154CC..  trans-61.2128.6163-62.6-46.7000109.3R72 N98 L176R72-D174 IonicContact CZ-OD1 2.75Å; R72-D174 IonicContact NE-OD1 2.71Å; R72-D174 IonicContact NH2-OD1 3.08Å; R72-D174 PolarHBondContact NH2-OD1 3.11Å; N98-D174 PolarHBondContact ND2-OD1 3.04Å; D174-L176 HydrophobicContact CB-CD2 4.49Å
175I93.3Very high92.8Very high6 Ų624.8 Ų24.83%0.03114%0.138CC..  trans-131.598.8174.7-48.4177.4000106.6N98 L99 P173 F291 V303 F304N98-I175 PolarHBondContact OD1-N 2.91Å; L99-I175 PolarHBondContact N-O 3.15Å; P173-I175 HydrophobicContact CG-CD1 4.47Å; P173-I175 HydrophobicContact CG-CG1 4.2Å; P173-I175 PolarHBondContact O-N 3.33Å; I175-F291 HydrophobicContact CG2-CD1 4.32Å; I175-V303 HydrophobicContact CD1-CB 4.43Å; I175-V303 HydrophobicContact CD1-CG1 3.79Å; I175-F304 HydrophobicContact CG2-CB 3.79Å; I175-F304 HydrophobicContact CG2-CD2 3.42Å; I175-F304 VanDerWaalsContact CG2-CD2 3.42Å; I175-F304 HydrophobicContact CG2-CE2 4.34Å; I175-F304 HydrophobicContact CG2-CG 3.97Å
176L96.7Very high93Very high0 Ų025.2 Ų25.20%014%0.139CC..EExtended strand (participates in β ladder)trans-86.5134.2-174.4-43.1174.5000110.2I63 R68 D91 F94 V96 I97 N98 D174 L178 G289 S290I63-L176 HydrophobicContact CG1-CD1 4.22Å; R68-L176 VanDerWaalsContact NH1-CD1 3.31Å; D91-L176 HydrophobicContact CB-CD2 4.23Å; D91-L176 WeakPolarHBondContact OD1-CD2 3.22Å; F94-L176 HydrophobicContact CD2-CD1 3.92Å; F94-L176 HydrophobicContact CE2-CD1 4.39Å; V96-L176 HydrophobicContact CG2-CB 4.02Å; V96-L176 HydrophobicContact CG2-CD1 4.08Å; V96-L176 HydrophobicContact CG2-CD2 4.08Å; V96-L176 HydrophobicContact CG2-CG 4.29Å; I97-L176 CarbonylContact O-C 3.59Å; I97-L176 VanDerWaalsContact O-CA 3.31Å; I97-L176 WeakPolarHBondContact O-CA 3.39Å; N98-L176 HydrophobicContact CB-CD2 3.69Å; D174-L176 HydrophobicContact CB-CD2 4.49Å; L176-L178 HydrophobicContact CB-CD2 4.46Å; L176-L178 PolarHBondContact O-N 3.33Å; L176-G289 CarbonylContact O-C 3.43Å; L176-G289 WeakPolarHBondContact O-CA 3.23Å; L176-S290 WeakPolarHBondContact CB-OG 3.48Å; L176-S290 PolarHBondContact N-OG 3.45Å; L176-S290 VanDerWaalsContact N-OG 3.11Å; L176-S290 PolarHBondContact O-N 2.82Å; L176-S290 PolarHBondContact O-OG 3.26Å
177A97.8Very high93.1Very high4 Ų422.7 Ų22.73%0.03312%0.124CC..EExtended strand (participates in β ladder)trans-84.398.4164.200000108I97 R179 L180 I288 F304I97-A177 HydrophobicContact CB-CB 4.22Å; I97-A177 HydrophobicContact CG2-CB 4.41Å; I97-A177 PolarHBondContact O-N 2.86Å; A177-R179 VanDerWaalsContact C-N 3.28Å; A177-L180 HydrophobicContact CB-CD2 3.72Å; A177-I288 CarbonylContact C-O 3.58Å; A177-F304 HydrophobicContact CB-CE2 3.91Å; A177-F304 HydrophobicContact CB-CZ 4.16Å
178L97.2Very high93.2Very high3 Ų324.3 Ų24.32%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-70.2-27.2177.3-64.1-179.9000111.9N43 Y45 F46 I63 L176 I236 I288N43-L178 PolarHBondContact OD1-O 2.83Å; Y45-L178 HydrophobicContact CD1-CD2 4.18Å; Y45-L178 HydrophobicContact CE1-CD2 4.21Å; F46-L178 HydrophobicContact CB-CB 4.37Å; F46-L178 WeakPolarHBondContact CB-O 3.41Å; F46-L178 HydrophobicContact CD2-CB 3.67Å; F46-L178 HydrophobicContact CD2-CD1 4.04Å; F46-L178 HydrophobicContact CD2-CG 4.37Å; F46-L178 HydrophobicContact CE2-CB 4.14Å; F46-L178 HydrophobicContact CE2-CD1 4.12Å; F46-L178 HydrophobicContact CG-CB 4.12Å; F46-L178 WeakPolarHBondContact CG-O 3.31Å; I63-L178 HydrophobicContact CD1-CD1 4.19Å; I63-L178 HydrophobicContact CD1-CD2 3.95Å; L176-L178 HydrophobicContact CB-CD2 4.46Å; L176-L178 PolarHBondContact O-N 3.33Å; L178-I236 HydrophobicContact CD1-CD1 3.85Å; L178-I236 HydrophobicContact CD1-CG2 3.97Å; L178-I288 HydrophobicContact CB-CG2 4.4Å; L178-I288 PolarHBondContact N-O 3.34Å
179R96.6Very high93.1Very high24 Ų2424.3 Ų24.39%0.09114%0.138CC..EExtended strand (participates in β ladder)trans-144.6128.817217874.4169.4109.8-18.3107.6N43 F46 A177 A280 D281 I288N43-R179 WeakPolarHBondContact ND2-CD 3.47Å; F46-R179 HydrophobicContact CD1-CB 4.25Å; F46-R179 HydrophobicContact CE1-CB 4.38Å; A177-R179 VanDerWaalsContact C-N 3.28Å; R179-A280 HydrophobicContact CG-CB 4.15Å; R179-D281 IonicContact CZ-OD1 2.84Å; R179-D281 IonicContact NE-OD1 3.4Å; R179-D281 PolarHBondContact NE-OD1 3.4Å; R179-D281 IonicContact NH2-OD1 2.67Å; R179-D281 PolarHBondContact NH2-OD1 3.21Å; R179-I288 HydrophobicContact CB-CB 3.81Å; R179-I288 HydrophobicContact CB-CD1 3.76Å; R179-I288 HydrophobicContact CB-CG1 3.76Å; R179-I288 HydrophobicContact CG-CD1 4.2Å; R179-I288 HydrophobicContact CG-CG1 4.35Å; R179-I288 PolarHBondContact N-O 2.84Å; R179-I288 PolarHBondContact O-N 3.39Å
180L97Very high92.3Very high14 Ų1435.3 Ų35.37%0.07318%0.176CC..  trans-90144.4164.5-61.2176.2000109.2I97 A177 P187 L287 L312I97-L180 HydrophobicContact CG1-CD1 4.24Å; A177-L180 HydrophobicContact CB-CD2 3.72Å; L180-P187 HydrophobicContact CD1-CG 4.34Å; L180-L287 HydrophobicContact CD2-CD1 3.8Å; L180-L312 HydrophobicContact CD1-CD1 4.17Å; L180-L312 HydrophobicContact CD2-CD1 3.91Å
181P96.1Very high91.5Very high0 Ų038.8 Ų38.80%019%0.192CC..  trans-59.5146.4164.228.1-33.4000108.7I184 N186 V231 E284 W308P181-I184 HydrophobicContact CB-CB 4.23Å; P181-I184 HydrophobicContact CB-CG1 4.47Å; P181-I184 HydrophobicContact CG-CB 3.97Å; P181-I184 WeakPolarHBondContact CG-O 3.29Å; P181-N186 WeakPolarHBondContact O-CB 3.19Å; P181-N186 PolarHBondContact O-ND2 3.05Å; P181-V231 HydrophobicContact CB-CG2 4.27Å; P181-V231 HydrophobicContact CG-CG2 3.89Å; P181-E284 CarbonylContact C-O 3.48Å; P181-E284 VanDerWaalsContact CA-O 3.31Å; P181-E284 WeakPolarHBondContact CA-O 3.05Å; P181-E284 WeakPolarHBondContact CB-O 3.41Å; P181-W308 HydrophobicContact CG-CH2 4.19Å; P181-W308 HydrophobicContact CG-CZ2 3.59Å
182K92.2Very high91.2Very high93 Ų9348.3 Ų48.340%0.40423%0.226SC..SBendtrans-76.3-39.8-169.2-160.6-175.6179.3177.10112.4N186 V189 E284K182-N186 WeakPolarHBondContact O-CB 3.03Å; K182-V189 HydrophobicContact CG-CG2 4.31Å; K182-V189 WeakPolarHBondContact O-CG2 3.22Å; K182-E284 HydrophobicContact CB-CB 3.75Å; K182-E284 HydrophobicContact CB-CG 4.06Å; K182-E284 HydrophobicContact CD-CG 4Å; K182-E284 WeakPolarHBondContact CD-OE1 3.26Å; K182-E284 WeakPolarHBondContact CD-OE2 3.39Å; K182-E284 WeakPolarHBondContact CE-OE1 3.5Å; K182-E284 PolarHBondContact N-O 3.48Å; K182-E284 IonicContact NZ-OE1 3.61Å; K182-E284 PolarHBondContact NZ-OE1 3.41Å
183S86.6Confident91.1Very high35 Ų3548.3 Ų48.325%0.24523%0.229CC..SBendtrans-100.12.1-171.950.20000114.5E191 Q229S183-E191 VanDerWaalsContact CA-OE1 3.22Å; S183-E191 WeakPolarHBondContact CA-OE1 3.34Å; S183-E191 WeakPolarHBondContact CB-OE1 3.24Å; S183-E191 WeakPolarHBondContact CB-OE2 3.38Å; S183-Q229 PolarHBondContact O-NE2 2.97Å; S183-Q229 PolarHBondContact O-OE1 2.79Å
184I91.9Very high91.4Very high3 Ų346.7 Ų46.72%0.01522%0.219CC..SBendtrans-132.2118.5-169.8-45.9177.6000108.9P181 N186 I197 Q229 F230 V231 W308P181-I184 HydrophobicContact CB-CB 4.23Å; P181-I184 HydrophobicContact CB-CG1 4.47Å; P181-I184 HydrophobicContact CG-CB 3.97Å; P181-I184 WeakPolarHBondContact CG-O 3.29Å; I184-N186 PolarHBondContact O-N 3.13Å; I184-N186 VanDerWaalsContact O-N 3.09Å; I184-I197 HydrophobicContact CG2-CD1 3.87Å; I184-I197 HydrophobicContact CG2-CG1 4.48Å; I184-I197 HydrophobicContact CG2-CG2 4.31Å; I184-Q229 HydrophobicContact CD1-CB 3.84Å; I184-Q229 HydrophobicContact CG1-CB 3.96Å; I184-Q229 HydrophobicContact CG1-CG 4.3Å; I184-Q229 VanDerWaalsContact CG1-OE1 3.31Å; I184-Q229 HydrophobicContact CG2-CB 4.38Å; I184-F230 WeakPolarHBondContact CD1-O 3.1Å; I184-V231 HydrophobicContact CD1-CB 4.11Å; I184-W308 HydrophobicContact CB-CZ2 4.5Å; I184-W308 HydrophobicContact CG2-CH2 3.86Å; I184-W308 HydrophobicContact CG2-CZ2 4.1Å
185C94.6Very high91.6Very high12 Ų1247.9 Ų47.98%0.08123%0.225CC..SBendtrans44.350.7174.9-48.30000112.4I197 W308 L312 C313C185-I197 WeakPolarHBondContact SG-CD1 3.46Å; C185-W308 HydrophobicContact CB-CH2 4.32Å; C185-W308 HydrophobicContact CB-CZ2 3.56Å; C185-W308 PolarHBondContact O-NE1 3.37Å; C185-L312 WeakPolarHBondContact CA-O 3.45Å; C185-L312 HydrophobicContact CB-CB 4.22Å; C185-L312 VanDerWaalsContact O-CB 3.26Å; C185-L312 WeakPolarHBondContact O-CB 3.49Å; C185-C313 HydrophobicContact CB-CB 3.91Å; C185-C313 WeakPolarHBondContact CB-SG 3.16Å; C185-C313 WeakPolarHBondContact SG-CA 3.49Å; C185-C313 WeakPolarHBondContact SG-CB 3.46Å; C185-C313 CovalentContact SG-SG 2.02Å; C185-C313 PolarHBondContact SG-SG 3.08Å
186N94.6Very high91.9Very high19 Ų1947.7 Ų47.710%0.10222%0.224CC..  trans-119.7121.7-176.7-171.9-38.1000108.6P181 K182 I184 C188 V189P181-N186 WeakPolarHBondContact O-CB 3.19Å; P181-N186 PolarHBondContact O-ND2 3.05Å; K182-N186 WeakPolarHBondContact O-CB 3.03Å; I184-N186 PolarHBondContact O-N 3.13Å; I184-N186 VanDerWaalsContact O-N 3.09Å; N186-C188 PolarHBondContact O-N 3.46Å; N186-C188 VanDerWaalsContact O-N 3.15Å; N186-C188 WeakPolarHBondContact OD1-CB 3.41Å; N186-C188 PolarHBondContact OD1-N 3.33Å; N186-C188 PolarHBondContact OD1-SG 2.93Å; N186-C188 VanDerWaalsContact OD1-SG 3.38Å; N186-V189 PolarHBondContact O-N 3.1Å; N186-V189 VanDerWaalsContact O-O 3.08Å
187P91.1Very high92Very high33 Ų3347.7 Ų47.721%0.21422%0.224CC..THydrogen-bonded Turntrans-69.2-12.3-176.629.1-33.8000113.9I86 L180 L312I86-P187 HydrophobicContact CB-CB 4.27Å; I86-P187 HydrophobicContact CD1-CB 3.66Å; I86-P187 HydrophobicContact CD1-CG 4.5Å; I86-P187 HydrophobicContact CG1-CB 3.63Å; I86-P187 HydrophobicContact CG2-CB 3.67Å; I86-P187 HydrophobicContact CG2-CG 3.85Å; L180-P187 HydrophobicContact CD1-CG 4.34Å; P187-L312 HydrophobicContact CB-CD2 4.31Å; P187-L312 HydrophobicContact CG-CD2 4.06Å
188C92.2Very high92Very high43 Ų4347.5 Ų47.529%0.29122%0.223SC..THydrogen-bonded Turntrans-88.6-13.8-175.4-54.40000113.4C41 N186C41-C188 WeakPolarHBondContact CA-SG 2.91Å; C41-C188 HydrophobicContact CB-CB 3.55Å; C41-C188 WeakPolarHBondContact CB-SG 3.37Å; C41-C188 WeakPolarHBondContact SG-CB 3.02Å; C41-C188 CovalentContact SG-SG 2.02Å; C41-C188 PolarHBondContact SG-SG 2.81Å; N186-C188 PolarHBondContact O-N 3.46Å; N186-C188 VanDerWaalsContact O-N 3.15Å; N186-C188 WeakPolarHBondContact OD1-CB 3.41Å; N186-C188 PolarHBondContact OD1-N 3.33Å; N186-C188 PolarHBondContact OD1-SG 2.93Å; N186-C188 VanDerWaalsContact OD1-SG 3.38Å
189V88.2Confident92.1Very high59 Ų5947.5 Ų47.536%0.35822%0.223SC..SBendtrans-128.7128.1179.8-169.20000108.8K182 N186 E191K182-V189 HydrophobicContact CG-CG2 4.31Å; K182-V189 WeakPolarHBondContact O-CG2 3.22Å; N186-V189 PolarHBondContact O-N 3.1Å; N186-V189 VanDerWaalsContact O-O 3.08Å; V189-E191 HydrophobicContact CG1-CG 3.85Å; V189-E191 PolarHBondContact O-N 2.75Å
190R73.4Confident92.2Very high256 Ų25646.5 Ų46.597%0.96622%0.219SC*.  trans-84.7104.5172-71.5-173.8179.7178.51.2109.1
191E73.4Confident92.3Very high96 Ų9647.8 Ų47.845%0.44922%0.224SC..  trans-118158.7174-73.4-165.1-162.800112.9S183 V189 A193 Q229S183-E191 VanDerWaalsContact CA-OE1 3.22Å; S183-E191 WeakPolarHBondContact CA-OE1 3.34Å; S183-E191 WeakPolarHBondContact CB-OE1 3.24Å; S183-E191 WeakPolarHBondContact CB-OE2 3.38Å; V189-E191 HydrophobicContact CG1-CG 3.85Å; V189-E191 PolarHBondContact O-N 2.75Å; E191-A193 PolarHBondContact O-N 3.08Å; E191-Q229 PolarHBondContact OE2-NE2 3.23Å
192R86.2Confident92.3Very high221 Ų22148 Ų4883%0.83423%0.226SC*.PPolyproline II helixtrans-69.2126.4173.4-175.6174.2179.6157.60108.6
193A91.5Very high92.4Very high23 Ų2344.7 Ų44.719%0.1921%0.214CC..PPolyproline II helixtrans-57126.5175.600000110.8E191 P314 T316 V317E191-A193 PolarHBondContact O-N 3.08Å; A193-P314 HydrophobicContact CB-CB 3.94Å; A193-P314 HydrophobicContact CB-CG 4.11Å; A193-T316 WeakPolarHBondContact CB-OG1 3.43Å; A193-V317 HydrophobicContact CB-CG2 3.92Å
194P96Very high92.7Very high8 Ų843.3 Ų43.35%0.05221%0.205CC..PPolyproline II helixtrans-74.2160.317632.1-37.7000111.8L196 I197 T227 Q229 V317P194-L196 VanDerWaalsContact C-N 3.33Å; P194-I197 HydrophobicContact CG-CD1 3.86Å; P194-I197 HydrophobicContact CG-CG1 3.48Å; P194-I197 VanDerWaalsContact CG-CG1 3.48Å; P194-T227 WeakPolarHBondContact CA-OG1 3.26Å; P194-T227 WeakPolarHBondContact CB-O 3.21Å; P194-Q229 HydrophobicContact CB-CB 4.42Å; P194-Q229 HydrophobicContact CB-CG 4.02Å; P194-Q229 HydrophobicContact CG-CB 4.17Å; P194-Q229 HydrophobicContact CG-CG 4Å; P194-V317 HydrophobicContact CG-CG2 4.32Å
195D97.9Very high92.7Very high54 Ų5444.2 Ų44.229%0.28921%0.208SC..SBendtrans-69-34173.3-64.3-56000111.5I226 T227 P318 Y338D195-I226 HydrophobicContact CB-CB 4.14Å; D195-T227 WeakPolarHBondContact CB-O 3.42Å; D195-T227 VanDerWaalsContact CG-OG1 3.26Å; D195-T227 PolarHBondContact N-O 2.95Å; D195-T227 PolarHBondContact N-OG1 2.91Å; D195-T227 PolarHBondContact OD2-N 3.25Å; D195-T227 PolarHBondContact OD2-OG1 3.47Å; D195-P318 VanDerWaalsContact O-CD 3.24Å; D195-P318 WeakPolarHBondContact O-CD 3.18Å; D195-P318 VanDerWaalsContact O-CG 3.24Å; D195-P318 WeakPolarHBondContact O-CG 3.49Å; D195-Y338 HydrophobicContact CB-CE1 4.17Å; D195-Y338 HydrophobicContact CB-CE2 4.12Å; D195-Y338 WeakPolarHBondContact CB-OH 3.36Å; D195-Y338 WeakPolarHBondContact O-CE2 3.45Å; D195-Y338 PolarHBondContact O-OH 3.18Å
196L98.4Very high92.6Very high1 Ų144.3 Ų44.31%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-141.6135.7-179.4173.663.3000110.8P194 V198 W223 T227 V228 Q229 L319 L321 V334P194-L196 VanDerWaalsContact C-N 3.33Å; L196-V198 HydrophobicContact CD2-CG2 3.89Å; L196-V198 HydrophobicContact CG-CG2 4.03Å; L196-W223 HydrophobicContact CD2-CZ3 4.34Å; L196-T227 PolarHBondContact N-O 3.23Å; L196-T227 VanDerWaalsContact N-O 3.12Å; L196-V228 HydrophobicContact CB-CG1 4.38Å; L196-V228 HydrophobicContact CB-CG2 4.21Å; L196-V228 HydrophobicContact CD2-CG1 4.19Å; L196-V228 HydrophobicContact CD2-CG2 4.32Å; L196-V228 HydrophobicContact CG-CG1 4.22Å; L196-V228 WeakPolarHBondContact O-CA 3.28Å; L196-Q229 PolarHBondContact O-N 2.9Å; L196-L319 HydrophobicContact CD1-CB 4.17Å; L196-L319 HydrophobicContact CD1-CD2 4.12Å; L196-L319 HydrophobicContact CD1-CG 4.13Å; L196-L321 HydrophobicContact CD1-CB 3.98Å; L196-V334 HydrophobicContact CD2-CG1 3.67Å
197I98.5Very high92.6Very high0 Ų045.5 Ų45.50%022%0.218CC..EExtended strand (participates in β ladder)trans-110121.5164.3-64.2-179.8000108.8I184 C185 P194 V199 Q229 V231 L309 V317 L319 F320 L321I184-I197 HydrophobicContact CG2-CD1 3.87Å; I184-I197 HydrophobicContact CG2-CG1 4.48Å; I184-I197 HydrophobicContact CG2-CG2 4.31Å; C185-I197 WeakPolarHBondContact SG-CD1 3.46Å; P194-I197 HydrophobicContact CG-CD1 3.86Å; P194-I197 HydrophobicContact CG-CG1 3.48Å; P194-I197 VanDerWaalsContact CG-CG1 3.48Å; I197-V199 HydrophobicContact CG2-CG2 4.1Å; I197-Q229 WeakPolarHBondContact CA-O 3.26Å; I197-Q229 HydrophobicContact CG1-CB 4.46Å; I197-V231 HydrophobicContact CG2-CG1 4.17Å; I197-L309 HydrophobicContact CG2-CD2 4.47Å; I197-V317 HydrophobicContact CD1-CG1 4.07Å; I197-V317 HydrophobicContact CD1-CG2 4.22Å; I197-V317 HydrophobicContact CG1-CG1 4.07Å; I197-L319 PolarHBondContact N-O 2.96Å; I197-F320 HydrophobicContact CB-CD1 3.81Å; I197-F320 HydrophobicContact CB-CE1 4.03Å; I197-F320 HydrophobicContact CD1-CE1 4.06Å; I197-F320 HydrophobicContact CG1-CE1 4.4Å; I197-F320 HydrophobicContact CG2-CD1 4.29Å; I197-F320 WeakPolarHBondContact O-CA 3.44Å; I197-L321 PolarHBondContact O-N 3.39Å
198V98.7Very high92.8Very high0 Ų049.6 Ų49.60%024%0.239CC..EExtended strand (participates in β ladder)trans-95.3116.7173.9177.20000108.7L196 I200 V228 Q229 F230 V231 L321 I323 L329L196-V198 HydrophobicContact CD2-CG2 3.89Å; L196-V198 HydrophobicContact CG-CG2 4.03Å; V198-I200 HydrophobicContact CG1-CG1 4.05Å; V198-V228 HydrophobicContact CG2-CG1 3.78Å; V198-Q229 PolarHBondContact N-O 3Å; V198-F230 HydrophobicContact CB-CD1 3.47Å; V198-F230 VanDerWaalsContact CB-CD1 3.47Å; V198-F230 HydrophobicContact CB-CE1 3.65Å; V198-F230 HydrophobicContact CB-CG 4.37Å; V198-F230 HydrophobicContact CG1-CD1 3.68Å; V198-F230 HydrophobicContact CG1-CE1 3.83Å; V198-F230 HydrophobicContact CG2-CD1 4.05Å; V198-F230 HydrophobicContact CG2-CE1 3.69Å; V198-F230 HydrophobicContact CG2-CZ 4.38Å; V198-F230 WeakPolarHBondContact O-CA 3.42Å; V198-V231 PolarHBondContact O-N 2.81Å; V198-L321 CarbonylContact C-O 3.57Å; V198-L321 WeakPolarHBondContact CA-O 3.33Å; V198-L321 HydrophobicContact CG1-CD2 4.31Å; V198-L321 HydrophobicContact CG2-CB 4.42Å; V198-I323 HydrophobicContact CG1-CG2 4.09Å; V198-L329 HydrophobicContact CB-CD1 4.39Å; V198-L329 HydrophobicContact CG1-CD1 3.67Å; V198-L329 HydrophobicContact CG2-CD1 3.77Å
199V98.8Very high93Very high4 Ų451 Ų512%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-100.9112.1178.5-174.40000109.6I197 V231 V233 T305 L309 L321 F322 I323I197-V199 HydrophobicContact CG2-CG2 4.1Å; V199-V231 HydrophobicContact CB-CG1 4.19Å; V199-V231 HydrophobicContact CG1-CG1 4.17Å; V199-V231 HydrophobicContact CG2-CG1 3.85Å; V199-V233 HydrophobicContact CG1-CG2 3.5Å; V199-T305 HydrophobicContact CG1-CG2 3.69Å; V199-T305 HydrophobicContact CG2-CG2 4.45Å; V199-L309 HydrophobicContact CG2-CD1 4.17Å; V199-L309 HydrophobicContact CG2-CD2 4.31Å; V199-L321 PolarHBondContact N-O 3.18Å; V199-F322 HydrophobicContact CB-CD1 3.88Å; V199-F322 HydrophobicContact CB-CE1 4.16Å; V199-F322 HydrophobicContact CB-CG 4.5Å; V199-F322 HydrophobicContact CG1-CD1 4.15Å; V199-F322 HydrophobicContact CG1-CE1 4.38Å; V199-F322 HydrophobicContact CG2-CD1 4.37Å; V199-F322 HydrophobicContact CG2-CE1 4.18Å; V199-F322 WeakPolarHBondContact O-CA 3.36Å; V199-I323 PolarHBondContact O-N 3.32Å
200I98.8Very high93.5Very high3 Ų348.4 Ų48.42%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-98.4115.3-178.9-52.3166.4000108.3V198 S202 A213 F217 M218 F230 V231 F232 V233 I323V198-I200 HydrophobicContact CG1-CG1 4.05Å; I200-S202 PolarHBondContact O-N 2.94Å; I200-S202 VanDerWaalsContact O-N 3.1Å; I200-A213 HydrophobicContact CD1-CB 4.4Å; I200-F217 HydrophobicContact CD1-CE2 4.02Å; I200-F217 HydrophobicContact CD1-CZ 3.85Å; I200-F217 HydrophobicContact CG1-CZ 4.45Å; I200-M218 HydrophobicContact CD1-CG 4.45Å; I200-M218 HydrophobicContact CD1-SD 3.81Å; I200-F230 HydrophobicContact CD1-CD1 4.24Å; I200-V231 PolarHBondContact N-O 2.98Å; I200-F232 HydrophobicContact CB-CD1 3.62Å; I200-F232 HydrophobicContact CB-CE1 3.91Å; I200-F232 HydrophobicContact CD1-CD1 3.89Å; I200-F232 HydrophobicContact CD1-CE1 3.39Å; I200-F232 HydrophobicContact CD1-CZ 3.87Å; I200-F232 HydrophobicContact CG1-CD1 4.34Å; I200-F232 HydrophobicContact CG1-CE1 4.25Å; I200-F232 HydrophobicContact CG2-CD1 3.7Å; I200-F232 HydrophobicContact CG2-CE1 3.77Å; I200-F232 WeakPolarHBondContact O-CA 3.37Å; I200-V233 PolarHBondContact O-N 3.48Å; I200-I323 WeakPolarHBondContact CA-O 3.3Å; I200-I323 HydrophobicContact CB-CG2 4.25Å; I200-I323 HydrophobicContact CG1-CG2 3.77Å; I200-I323 HydrophobicContact CG2-CG2 4.31Å
201K98.4Very high94.6Very high41 Ų4139.3 Ų39.318%0.17820%0.195CC..EExtended strand (participates in β ladder)trans-71.2102.8174.7-173.7179.371.8-168.70108.1L298 K301 I323 D324 N325 G391 D417K201-L298 HydrophobicContact CD-CD2 4.23Å; K201-K301 HydrophobicContact CG-CD 4.09Å; K201-I323 PolarHBondContact N-O 3.43Å; K201-D324 WeakPolarHBondContact CE-OD1 3.37Å; K201-D324 WeakPolarHBondContact CE-OD2 3.41Å; K201-D324 IonicContact NZ-OD1 2.74Å; K201-D324 IonicContact NZ-OD2 3.94Å; K201-D324 PolarHBondContact NZ-OD2 3.25Å; K201-N325 WeakPolarHBondContact O-CB 3.33Å; K201-N325 PolarHBondContact O-N 3.33Å; K201-G391 PolarHBondContact NZ-O 2.82Å; K201-D417 IonicContact NZ-OD2 3.61Å
202S97.8Very high95.8Very high4 Ų435.8 Ų35.83%0.02818%0.179CC..  trans-110.5-175.3-177.2-168.90000110.9I200 R210 V233 K301I200-S202 PolarHBondContact O-N 2.94Å; I200-S202 VanDerWaalsContact O-N 3.1Å; S202-R210 WeakPolarHBondContact OG-CG 3.38Å; S202-R210 PolarHBondContact OG-NH1 2.85Å; S202-R210 VanDerWaalsContact OG-NH1 3.1Å; S202-V233 PolarHBondContact N-O 3.13Å; S202-V233 VanDerWaalsContact N-O 3.08Å; S202-K301 PolarHBondContact O-NZ 3.19Å
203C94.2Very high96.4Very high24 Ų2425.5 Ų25.516%0.16214%0.141CC..  trans-137.7156175.2900000111.7Y205 C206 R210 D293C203-Y205 PolarHBondContact O-N 2.99Å; C203-Y205 PolarHBondContact SG-N 3.47Å; C203-C206 HydrophobicContact CB-CB 4.05Å; C203-C206 WeakPolarHBondContact CB-SG 3.46Å; C203-C206 WeakPolarHBondContact O-CB 3.34Å; C203-C206 PolarHBondContact O-N 3Å; C203-C206 WeakPolarHBondContact SG-CB 3.37Å; C203-C206 PolarHBondContact SG-N 3.12Å; C203-C206 CovalentContact SG-SG 2.03Å; C203-C206 PolarHBondContact SG-SG 3.41Å; C203-R210 PolarHBondContact O-NH1 2.88Å; C203-D293 VanDerWaalsContact CA-OD2 3.29Å; C203-D293 WeakPolarHBondContact CA-OD2 3.47Å
204S92.8Very high96.7Very high6 Ų625.2 Ų25.24%0.04214%0.135CC..THydrogen-bonded Turntrans-53.2-29.7178.758.90000114.6D293S204-D293 PolarHBondContact N-OD2 2.93Å
205Y91.2Very high96.7Very high21 Ų2130.2 Ų30.28%0.08216%0.161CC..THydrogen-bonded Turntrans-97.60.6179.2-57.7-66.9000114.7C203 S207 E241 W258 F272C203-Y205 PolarHBondContact O-N 2.99Å; C203-Y205 PolarHBondContact SG-N 3.47Å; Y205-S207 PolarHBondContact O-N 3.21Å; Y205-E241 PolarHBondContact OH-OE2 3.43Å; Y205-W258 AromaticContact CD2-NE1 3.98Å; Y205-F272 AromaticContact CD1-CD1 3.46Å; Y205-F272 HydrophobicContact CD1-CD1 3.46Å; Y205-F272 VanDerWaalsContact CD1-CD1 3.46Å; Y205-F272 HydrophobicContact CD1-CD2 4.38Å; Y205-F272 AromaticContact CD1-CE1 3.62Å; Y205-F272 HydrophobicContact CD1-CE1 3.62Å; Y205-F272 AromaticContact CD1-CG 3.87Å; Y205-F272 HydrophobicContact CD1-CG 3.87Å; Y205-F272 HydrophobicContact CD1-CZ 4.21Å; Y205-F272 HydrophobicContact CE1-CB 4.32Å; Y205-F272 AromaticContact CE1-CD1 3.75Å; Y205-F272 HydrophobicContact CE1-CD1 3.75Å; Y205-F272 AromaticContact CE1-CD2 3.9Å; Y205-F272 HydrophobicContact CE1-CD2 3.9Å; Y205-F272 HydrophobicContact CE1-CE1 4.12Å; Y205-F272 HydrophobicContact CE1-CE2 4.32Å; Y205-F272 AromaticContact CE1-CG 3.63Å; Y205-F272 HydrophobicContact CE1-CG 3.63Å; Y205-F272 HydrophobicContact CE1-CZ 4.4Å
206C93.2Very high96.7Very high15 Ų1528.2 Ų28.210%0.10115%0.151CC..  trans-9744.3-169.7-63.80000112.6C203 D208 E209 R210 N325C203-C206 HydrophobicContact CB-CB 4.05Å; C203-C206 WeakPolarHBondContact CB-SG 3.46Å; C203-C206 WeakPolarHBondContact O-CB 3.34Å; C203-C206 PolarHBondContact O-N 3Å; C203-C206 WeakPolarHBondContact SG-CB 3.37Å; C203-C206 PolarHBondContact SG-N 3.12Å; C203-C206 CovalentContact SG-SG 2.03Å; C203-C206 PolarHBondContact SG-SG 3.41Å; C206-D208 VanDerWaalsContact C-N 3.31Å; C206-E209 VanDerWaalsContact C-OE2 3.29Å; C206-E209 WeakPolarHBondContact CA-OE2 3.44Å; C206-E209 HydrophobicContact CB-CB 4.39Å; C206-E209 VanDerWaalsContact CB-OE2 3.25Å; C206-E209 WeakPolarHBondContact CB-OE2 3.47Å; C206-R210 WeakPolarHBondContact O-CG 3.3Å; C206-R210 PolarHBondContact O-N 2.87Å; C206-R210 PolarHBondContact O-NH1 3.15Å; C206-N325 PolarHBondContact SG-ND2 2.66Å
207S94.3Very high96.7Very high44 Ų4428.2 Ų28.231%0.30815%0.151SC..Hα-helixtrans-62.7-39.8179.951.60000111.8Y205 E209 R210 D211Y205-S207 PolarHBondContact O-N 3.21Å; S207-E209 VanDerWaalsContact C-N 3.34Å; S207-E209 PolarHBondContact O-N 3.13Å; S207-R210 PolarHBondContact O-N 3.22Å; S207-R210 VanDerWaalsContact O-N 3.15Å; S207-D211 PolarHBondContact O-N 3.22Å
208D94.7Very high96.7Very high119 Ų11929.5 Ų29.564%0.63616%0.157SC*.Hα-helixtrans-65.4-38.5-177.4-62.3-3.7000111.3C206 H212C206-D208 VanDerWaalsContact C-N 3.31Å; D208-H212 WeakPolarHBondContact O-CB 3.45Å; D208-H212 PolarHBondContact O-N 3.46Å
209E96.6Very high96.6Very high73 Ų7333 Ų3334%0.34117%0.173SC..Hα-helixtrans-67.7-37.7174.2-6678.7-173.100112C206 S207 H212 A213 N325C206-E209 VanDerWaalsContact C-OE2 3.29Å; C206-E209 WeakPolarHBondContact CA-OE2 3.44Å; C206-E209 HydrophobicContact CB-CB 4.39Å; C206-E209 VanDerWaalsContact CB-OE2 3.25Å; C206-E209 WeakPolarHBondContact CB-OE2 3.47Å; S207-E209 VanDerWaalsContact C-N 3.34Å; S207-E209 PolarHBondContact O-N 3.13Å; E209-H212 PolarHBondContact O-N 3.3Å; E209-A213 WeakPolarHBondContact O-CB 3.16Å; E209-A213 PolarHBondContact O-N 2.64Å; E209-N325 HydrophobicContact CB-CB 4.15Å
210R98Very high96.5Very high4 Ų443.8 Ų43.82%0.01521%0.213CC..Hα-helixtrans-65.5-45174.7-67.4-166.7-69.4-80.10111.6S202 C203 C206 S207 H212 A213 R214 F232 E279S202-R210 WeakPolarHBondContact OG-CG 3.38Å; S202-R210 PolarHBondContact OG-NH1 2.85Å; S202-R210 VanDerWaalsContact OG-NH1 3.1Å; C203-R210 PolarHBondContact O-NH1 2.88Å; C206-R210 WeakPolarHBondContact O-CG 3.3Å; C206-R210 PolarHBondContact O-N 2.87Å; C206-R210 PolarHBondContact O-NH1 3.15Å; S207-R210 PolarHBondContact O-N 3.22Å; S207-R210 VanDerWaalsContact O-N 3.15Å; R210-H212 VanDerWaalsContact C-N 3.32Å; R210-H212 PolarHBondContact O-N 3.46Å; R210-A213 PolarHBondContact O-N 3.32Å; R210-R214 WeakPolarHBondContact O-CG 3.06Å; R210-R214 PolarHBondContact O-N 3.43Å; R210-F232 HydrophobicContact CB-CD1 4.32Å; R210-F232 HydrophobicContact CB-CD2 4.39Å; R210-F232 HydrophobicContact CB-CE1 3.93Å; R210-F232 HydrophobicContact CB-CE2 4.01Å; R210-F232 HydrophobicContact CB-CZ 3.75Å; R210-F232 HydrophobicContact CG-CB 4.48Å; R210-F232 HydrophobicContact CG-CD1 3.55Å; R210-F232 HydrophobicContact CG-CD2 4.09Å; R210-F232 HydrophobicContact CG-CE1 3.62Å; R210-F232 HydrophobicContact CG-CE2 4.15Å; R210-F232 HydrophobicContact CG-CG 3.78Å; R210-F232 HydrophobicContact CG-CZ 3.92Å; R210-E279 WeakPolarHBondContact CD-OE1 3.47Å; R210-E279 IonicContact CZ-OE1 2.86Å; R210-E279 IonicContact CZ-OE2 2.97Å; R210-E279 IonicContact NE-OE1 3.7Å; R210-E279 PolarHBondContact NE-OE1 2.89Å; R210-E279 IonicContact NE-OE2 3.92Å; R210-E279 PolarHBondContact NE-OE2 3.38Å; R210-E279 IonicContact NH2-OE1 2.9Å; R210-E279 IonicContact NH2-OE2 3.6Å; R210-E279 PolarHBondContact NH2-OE2 3.28Å
211D98.1Very high96.3Very high64 Ų6448.6 Ų48.634%0.34224%0.236SC..Hα-helixtrans-64.4-38.7176.9-72.4-13.8000111.7S207 R214 N215S207-D211 PolarHBondContact O-N 3.22Å; D211-R214 PolarHBondContact O-N 2.77Å; D211-R214 IonicContact OD1-NH1 2.86Å; D211-R214 PolarHBondContact OD1-NH1 2.98Å; D211-R214 VanDerWaalsContact OD1-NH1 3.08Å; D211-N215 VanDerWaalsContact O-CB 3.3Å; D211-N215 WeakPolarHBondContact O-CB 3.15Å; D211-N215 VanDerWaalsContact O-CG 3.24Å; D211-N215 PolarHBondContact O-N 2.84Å; D211-N215 PolarHBondContact O-ND2 3.46Å
212H97.8Very high96.3Very high23 Ų2347.5 Ų47.511%0.10623%0.232CC..Hα-helixtrans-59.3-51.1171.6166.569.4000111.6D208 E209 R210 R214 N215 T216 D328 H456D208-H212 WeakPolarHBondContact O-CB 3.45Å; D208-H212 PolarHBondContact O-N 3.46Å; E209-H212 PolarHBondContact O-N 3.3Å; R210-H212 VanDerWaalsContact C-N 3.32Å; R210-H212 PolarHBondContact O-N 3.46Å; H212-R214 VanDerWaalsContact C-N 3.31Å; H212-R214 PolarHBondContact O-N 3.17Å; H212-N215 CarbonylContact O-C 3.46Å; H212-N215 PolarHBondContact O-N 3.38Å; H212-N215 VanDerWaalsContact O-N 3.12Å; H212-T216 WeakPolarHBondContact CE1-CG2 3.07Å; H212-T216 PolarHBondContact CE1-OG1 3.43Å; H212-T216 VanDerWaalsContact CE1-OG1 3.26Å; H212-T216 PolarHBondContact NE2-OG1 2.92Å; H212-T216 VanDerWaalsContact NE2-OG1 3.14Å; H212-T216 WeakPolarHBondContact O-CB 3.39Å; H212-T216 WeakPolarHBondContact O-CG2 3.29Å; H212-T216 PolarHBondContact O-N 3.34Å; H212-T216 PolarHBondContact O-OG1 3.22Å; H212-D328 IonicContact CD2-OD1 3.59Å; H212-D328 PolarHBondContact CD2-OD1 3.49Å; H212-D328 IonicContact CE1-OD1 2.69Å; H212-D328 IonicContact CE1-OD2 3.6Å; H212-D328 IonicContact NE2-OD1 3.72Å; H212-D328 PolarHBondContact NE2-OD1 2.82Å; H212-D328 IonicContact NE2-OD2 2.86Å; H212-D328 PolarHBondContact NE2-OD2 3.2Å; H212-H456 AromaticContact CD2-CE1 3.27Å; H212-H456 PolarHBondContact CD2-CE1 2.89Å; H212-H456 AromaticContact CD2-CG 3.97Å; H212-H456 AromaticContact CD2-ND1 3.19Å; H212-H456 PolarHBondContact CD2-ND1 3.43Å; H212-H456 AromaticContact CE1-CE1 2.99Å; H212-H456 PolarHBondContact CE1-CE1 3.44Å; H212-H456 AromaticContact CE1-ND1 3.11Å; H212-H456 PolarHBondContact CE1-ND1 3.48Å; H212-H456 AromaticContact CG-CE1 3.19Å; H212-H456 AromaticContact CG-ND1 3.64Å; H212-H456 AromaticContact CG-NE2 3.9Å; H212-H456 AromaticContact ND1-CE1 3.03Å; H212-H456 PolarHBondContact ND1-CE1 3.12Å; H212-H456 AromaticContact ND1-ND1 3.62Å; H212-H456 AromaticContact NE2-CE1 3.16Å; H212-H456 PolarHBondContact NE2-CE1 3.28Å; H212-H456 AromaticContact NE2-CG 3.91Å; H212-H456 AromaticContact NE2-ND1 2.85Å; H212-H456 PolarHBondContact NE2-ND1 3.03Å
213A98.4Very high96.3Very high4 Ų448.1 Ų48.13%0.03323%0.233CC..Hα-helixtrans-58.2-45.6179.500000111.1I200 E209 R210 N215 T216 F217 M218 F232I200-A213 HydrophobicContact CD1-CB 4.4Å; E209-A213 WeakPolarHBondContact O-CB 3.16Å; E209-A213 PolarHBondContact O-N 2.64Å; R210-A213 PolarHBondContact O-N 3.32Å; A213-N215 VanDerWaalsContact C-N 3.33Å; A213-N215 PolarHBondContact O-N 3.01Å; A213-T216 PolarHBondContact O-N 3.47Å; A213-T216 VanDerWaalsContact O-N 3.15Å; A213-T216 PolarHBondContact O-OG1 2.86Å; A213-F217 HydrophobicContact CB-CD1 4.38Å; A213-F217 HydrophobicContact CB-CE1 3.48Å; A213-F217 VanDerWaalsContact CB-CE1 3.48Å; A213-F217 HydrophobicContact CB-CZ 3.63Å; A213-M218 VanDerWaalsContact C-SD 3.52Å; A213-M218 HydrophobicContact CB-CG 4.31Å; A213-M218 HydrophobicContact CB-SD 3.7Å; A213-M218 VanDerWaalsContact O-CB 3.26Å; A213-M218 WeakPolarHBondContact O-CB 3.43Å; A213-M218 VanDerWaalsContact O-CG 3.26Å; A213-M218 WeakPolarHBondContact O-CG 3.37Å; A213-M218 PolarHBondContact O-N 3.15Å; A213-M218 VanDerWaalsContact O-N 3.11Å; A213-F232 HydrophobicContact CB-CE1 4.03Å; A213-F232 HydrophobicContact CB-CZ 3.9Å
214R98Very high96.2Very high18 Ų1850.1 Ų50.17%0.06825%0.248CC..Hα-helixtrans-55.4-46.3174.2-73.8-179.8-168.6116.30.3111.7R210 D211 H212 T216 M218 Q219 F232 E279 D285R210-R214 WeakPolarHBondContact O-CG 3.06Å; R210-R214 PolarHBondContact O-N 3.43Å; D211-R214 PolarHBondContact O-N 2.77Å; D211-R214 IonicContact OD1-NH1 2.86Å; D211-R214 PolarHBondContact OD1-NH1 2.98Å; D211-R214 VanDerWaalsContact OD1-NH1 3.08Å; H212-R214 VanDerWaalsContact C-N 3.31Å; H212-R214 PolarHBondContact O-N 3.17Å; R214-T216 VanDerWaalsContact C-N 3.26Å; R214-T216 PolarHBondContact O-N 3.39Å; R214-M218 HydrophobicContact CG-CE 3.75Å; R214-M218 HydrophobicContact CG-SD 3.99Å; R214-M218 PolarHBondContact N-SD 2.84Å; R214-Q219 PolarHBondContact O-NE2 3.38Å; R214-F232 HydrophobicContact CG-CE2 4.18Å; R214-F232 HydrophobicContact CG-CZ 4.35Å; R214-E279 IonicContact CZ-OE1 3.6Å; R214-E279 VanDerWaalsContact CZ-OE1 3.28Å; R214-E279 IonicContact NH1-OE1 3.24Å; R214-E279 PolarHBondContact NH1-OE1 3.07Å; R214-E279 IonicContact NH2-OE1 3.73Å; R214-E279 PolarHBondContact NH2-OE1 2.02Å; R214-D285 IonicContact CZ-OD1 2.77Å; R214-D285 IonicContact CZ-OD2 3.43Å; R214-D285 IonicContact NE-OD1 3.51Å; R214-D285 IonicContact NE-OD2 3.46Å; R214-D285 PolarHBondContact NE-OD2 3.28Å; R214-D285 IonicContact NH2-OD1 2.73Å; R214-D285 PolarHBondContact NH2-OD1 2.9Å; R214-D285 IonicContact NH2-OD2 2.89Å; R214-D285 PolarHBondContact NH2-OD2 3.46Å
215N97.2Very high96.1Very high113 Ų11355.8 Ų55.860%0.60428%0.277SS*.Hα-helixtrans-77.8-4.1-177.9-71.9-46.2000114.7D211 H212 A213D211-N215 VanDerWaalsContact O-CB 3.3Å; D211-N215 WeakPolarHBondContact O-CB 3.15Å; D211-N215 VanDerWaalsContact O-CG 3.24Å; D211-N215 PolarHBondContact O-N 2.84Å; D211-N215 PolarHBondContact O-ND2 3.46Å; H212-N215 CarbonylContact O-C 3.46Å; H212-N215 PolarHBondContact O-N 3.38Å; H212-N215 VanDerWaalsContact O-N 3.12Å; A213-N215 VanDerWaalsContact C-N 3.33Å; A213-N215 PolarHBondContact O-N 3.01Å
216T97.9Very high96.4Very high11 Ų1155.4 Ų55.47%0.06728%0.277CS..THydrogen-bonded Turntrans-127-104.8-17458.80000112.6H212 A213 R214 M218 Q219 L222 W465H212-T216 WeakPolarHBondContact CE1-CG2 3.07Å; H212-T216 PolarHBondContact CE1-OG1 3.43Å; H212-T216 VanDerWaalsContact CE1-OG1 3.26Å; H212-T216 PolarHBondContact NE2-OG1 2.92Å; H212-T216 VanDerWaalsContact NE2-OG1 3.14Å; H212-T216 WeakPolarHBondContact O-CB 3.39Å; H212-T216 WeakPolarHBondContact O-CG2 3.29Å; H212-T216 PolarHBondContact O-N 3.34Å; H212-T216 PolarHBondContact O-OG1 3.22Å; A213-T216 PolarHBondContact O-N 3.47Å; A213-T216 VanDerWaalsContact O-N 3.15Å; A213-T216 PolarHBondContact O-OG1 2.86Å; R214-T216 VanDerWaalsContact C-N 3.26Å; R214-T216 PolarHBondContact O-N 3.39Å; T216-M218 PolarHBondContact O-N 3.38Å; T216-M218 VanDerWaalsContact O-N 3.17Å; T216-Q219 WeakPolarHBondContact O-CB 3.21Å; T216-Q219 WeakPolarHBondContact O-CG 3.36Å; T216-Q219 PolarHBondContact O-N 2.9Å; T216-Q219 VanDerWaalsContact O-N 3.16Å; T216-L222 VanDerWaalsContact O-CD1 3.22Å; T216-L222 WeakPolarHBondContact O-CD1 3.15Å; T216-W465 HydrophobicContact CG2-CB 4.29Å; T216-W465 HydrophobicContact CG2-CD2 4.05Å; T216-W465 HydrophobicContact CG2-CG 3.63Å
217F97.7Very high96.5Very high2 Ų257.8 Ų57.81%0.00929%0.291CS..THydrogen-bonded Turntrans-70.3-12.6-171.969.3-90.9000113.2I200 A213 Q219 W223 F230 D328 L329 P331 W465I200-F217 HydrophobicContact CD1-CE2 4.02Å; I200-F217 HydrophobicContact CD1-CZ 3.85Å; I200-F217 HydrophobicContact CG1-CZ 4.45Å; A213-F217 HydrophobicContact CB-CD1 4.38Å; A213-F217 HydrophobicContact CB-CE1 3.48Å; A213-F217 VanDerWaalsContact CB-CE1 3.48Å; A213-F217 HydrophobicContact CB-CZ 3.63Å; F217-Q219 VanDerWaalsContact C-N 3.31Å; F217-W223 PolarHBondContact O-NE1 2.71Å; F217-F230 AromaticContact CD2-CE1 3.88Å; F217-F230 HydrophobicContact CD2-CE1 3.88Å; F217-F230 HydrophobicContact CE2-CD1 4.17Å; F217-F230 AromaticContact CE2-CE1 3.86Å; F217-F230 HydrophobicContact CE2-CE1 3.86Å; F217-D328 HydrophobicContact CD1-CB 3.66Å; F217-D328 WeakPolarHBondContact CD1-OD1 3.41Å; F217-D328 HydrophobicContact CE1-CB 4.17Å; F217-D328 WeakPolarHBondContact CE1-OD1 3.12Å; F217-D328 HydrophobicContact CG-CB 4.41Å; F217-L329 HydrophobicContact CB-CB 4.26Å; F217-L329 VanDerWaalsContact CB-O 3.29Å; F217-L329 WeakPolarHBondContact CB-O 3.36Å; F217-L329 HydrophobicContact CD2-CB 3.83Å; F217-L329 HydrophobicContact CD2-CD1 4.19Å; F217-L329 HydrophobicContact CD2-CG 4.17Å; F217-L329 HydrophobicContact CE2-CB 4.46Å; F217-L329 HydrophobicContact CE2-CD1 4.26Å; F217-L329 HydrophobicContact CE2-CG 4.32Å; F217-L329 HydrophobicContact CG-CB 4.17Å; F217-P331 HydrophobicContact CB-CG 4.47Å; F217-W465 HydrophobicContact CB-CE3 4.41Å; F217-W465 HydrophobicContact CB-CH2 3.8Å; F217-W465 HydrophobicContact CB-CZ3 3.62Å
218M97.8Very high96.7Very high26 Ų2657 Ų5713%0.12829%0.285CS..THydrogen-bonded Turntrans-83.2-6174.9-64.3177.350.500113.7I200 A213 R214 T216 R220 F230 F232I200-M218 HydrophobicContact CD1-CG 4.45Å; I200-M218 HydrophobicContact CD1-SD 3.81Å; A213-M218 VanDerWaalsContact C-SD 3.52Å; A213-M218 HydrophobicContact CB-CG 4.31Å; A213-M218 HydrophobicContact CB-SD 3.7Å; A213-M218 VanDerWaalsContact O-CB 3.26Å; A213-M218 WeakPolarHBondContact O-CB 3.43Å; A213-M218 VanDerWaalsContact O-CG 3.26Å; A213-M218 WeakPolarHBondContact O-CG 3.37Å; A213-M218 PolarHBondContact O-N 3.15Å; A213-M218 VanDerWaalsContact O-N 3.11Å; R214-M218 HydrophobicContact CG-CE 3.75Å; R214-M218 HydrophobicContact CG-SD 3.99Å; R214-M218 PolarHBondContact N-SD 2.84Å; T216-M218 PolarHBondContact O-N 3.38Å; T216-M218 VanDerWaalsContact O-N 3.17Å; M218-R220 PolarHBondContact O-N 3.46Å; M218-F230 HydrophobicContact CB-CD1 4.5Å; M218-F230 HydrophobicContact CB-CD2 4.1Å; M218-F230 HydrophobicContact CB-CE2 4.19Å; M218-F230 HydrophobicContact CB-CG 4.27Å; M218-F230 HydrophobicContact CB-CZ 4.44Å; M218-F230 HydrophobicContact CE-CB 3.53Å; M218-F230 HydrophobicContact CE-CD2 4.36Å; M218-F230 HydrophobicContact CE-CG 3.96Å; M218-F230 HydrophobicContact CG-CB 4.27Å; M218-F230 HydrophobicContact CG-CD1 3.64Å; M218-F230 HydrophobicContact CG-CD2 4.05Å; M218-F230 HydrophobicContact CG-CE1 3.95Å; M218-F230 HydrophobicContact CG-CE2 4.33Å; M218-F230 HydrophobicContact CG-CG 3.72Å; M218-F230 HydrophobicContact CG-CZ 4.29Å; M218-F230 HydrophobicContact SD-CB 4.2Å; M218-F230 HydrophobicContact SD-CD1 4.42Å; M218-F230 HydrophobicContact SD-CG 4.29Å; M218-F232 HydrophobicContact CE-CE2 3.9Å; M218-F232 HydrophobicContact CE-CZ 4.07Å; M218-F232 HydrophobicContact SD-CE1 4.31Å; M218-F232 HydrophobicContact SD-CE2 3.91Å; M218-F232 HydrophobicContact SD-CZ 3.43Å; M218-F232 WeakPolarHBondContact SD-CZ 3.28Å
219Q97.5Very high96.8Very high73 Ų7353 Ų5334%0.34126%0.262SS..  trans-64.1124.5-176.4-67.6-73.5-63.500111.6R214 T216 F217 H221 L222R214-Q219 PolarHBondContact O-NE2 3.38Å; T216-Q219 WeakPolarHBondContact O-CB 3.21Å; T216-Q219 WeakPolarHBondContact O-CG 3.36Å; T216-Q219 PolarHBondContact O-N 2.9Å; T216-Q219 VanDerWaalsContact O-N 3.16Å; F217-Q219 VanDerWaalsContact C-N 3.31Å; Q219-H221 VanDerWaalsContact C-N 3.28Å; Q219-H221 VanDerWaalsContact CB-CE1 3.43Å; Q219-H221 WeakPolarHBondContact CB-CE1 3.3Å; Q219-H221 PolarHBondContact O-N 2.91Å; Q219-H221 VanDerWaalsContact O-N 3.14Å; Q219-L222 HydrophobicContact CB-CD1 3.99Å; Q219-L222 HydrophobicContact CB-CG 4.16Å; Q219-L222 WeakPolarHBondContact O-CB 3.5Å; Q219-L222 PolarHBondContact O-N 3.21Å
220R95.6Very high96.8Very high231 Ų23150.3 Ų50.387%0.87225%0.249SC*.G310 helixtrans-54.8-37-170.7-177.5177.9176.9175.9-0114.1M218 L222 W223M218-R220 PolarHBondContact O-N 3.46Å; R220-L222 PolarHBondContact O-N 2.89Å; R220-W223 PolarHBondContact O-N 2.79Å; R220-W223 VanDerWaalsContact O-N 3.17Å
221H96Very high96.9Very high105 Ų10550.1 Ų50.149%0.48625%0.248SC..G310 helixtrans-66.8-19.2-178.367.3-74.4000113.3Q219 W223 W465 K466Q219-H221 VanDerWaalsContact C-N 3.28Å; Q219-H221 VanDerWaalsContact CB-CE1 3.43Å; Q219-H221 WeakPolarHBondContact CB-CE1 3.3Å; Q219-H221 PolarHBondContact O-N 2.91Å; Q219-H221 VanDerWaalsContact O-N 3.14Å; H221-W223 VanDerWaalsContact C-N 3.3Å; H221-W465 PolarHBondContact NE2-O 2.83Å; H221-K466 PolarHBondContact NE2-O 3.09Å
222L97.6Very high96.9Very high17 Ų1747.1 Ų47.19%0.08923%0.232CC..G310 helixtrans-77.1-17.6177-57177.2000112.8T216 Q219 R220 P331 W465T216-L222 VanDerWaalsContact O-CD1 3.22Å; T216-L222 WeakPolarHBondContact O-CD1 3.15Å; Q219-L222 HydrophobicContact CB-CD1 3.99Å; Q219-L222 HydrophobicContact CB-CG 4.16Å; Q219-L222 WeakPolarHBondContact O-CB 3.5Å; Q219-L222 PolarHBondContact O-N 3.21Å; R220-L222 PolarHBondContact O-N 2.89Å; L222-P331 HydrophobicContact CB-CB 3.92Å; L222-P331 HydrophobicContact CB-CG 3.82Å; L222-P331 HydrophobicContact CD1-CG 4.16Å; L222-P331 WeakPolarHBondContact O-CB 2.96Å; L222-W465 HydrophobicContact CD1-CE3 3.86Å; L222-W465 HydrophobicContact CD1-CZ3 4.4Å
223W97.3Very high96.9Very high17 Ų1746.1 Ų46.16%0.06423%0.227CC..  trans-105.653.2-174-62.793.6000112.4L196 F217 R220 H221 I226 V228 F230 L329 P331 V334 I335L196-W223 HydrophobicContact CD2-CZ3 4.34Å; F217-W223 PolarHBondContact O-NE1 2.71Å; R220-W223 PolarHBondContact O-N 2.79Å; R220-W223 VanDerWaalsContact O-N 3.17Å; H221-W223 VanDerWaalsContact C-N 3.3Å; W223-I226 HydrophobicContact CE3-CD1 4.14Å; W223-I226 HydrophobicContact CE3-CG1 4.48Å; W223-I226 HydrophobicContact CZ3-CD1 4.39Å; W223-I226 VanDerWaalsContact O-O 3.08Å; W223-V228 HydrophobicContact CB-CG2 4.2Å; W223-V228 HydrophobicContact CD2-CB 4.25Å; W223-V228 HydrophobicContact CD2-CG2 3.83Å; W223-V228 HydrophobicContact CE3-CB 4.29Å; W223-V228 HydrophobicContact CE3-CG2 3.43Å; W223-V228 VanDerWaalsContact CE3-CG2 3.43Å; W223-V228 HydrophobicContact CG-CB 4.38Å; W223-V228 HydrophobicContact CG-CG2 4.16Å; W223-V228 HydrophobicContact CZ3-CG2 4.03Å; W223-F230 HydrophobicContact CD2-CZ 4.37Å; W223-F230 AromaticContact CE2-CZ 3.54Å; W223-F230 HydrophobicContact CZ2-CE1 4.17Å; W223-F230 AromaticContact CZ2-CZ 3.65Å; W223-F230 HydrophobicContact CZ2-CZ 3.65Å; W223-F230 AromaticContact NE1-CE2 3.9Å; W223-F230 AromaticContact NE1-CZ 3.43Å; W223-L329 HydrophobicContact CH2-CB 4.39Å; W223-L329 HydrophobicContact CH2-CD1 4.04Å; W223-L329 HydrophobicContact CZ2-CB 4.34Å; W223-L329 HydrophobicContact CZ2-CD1 4.25Å; W223-P331 HydrophobicContact CD2-CB 3.92Å; W223-P331 HydrophobicContact CE3-CB 4.15Å; W223-P331 HydrophobicContact CH2-CB 4.09Å; W223-P331 HydrophobicContact CH2-CG 4.42Å; W223-P331 HydrophobicContact CZ2-CB 3.77Å; W223-P331 HydrophobicContact CZ2-CG 3.75Å; W223-P331 HydrophobicContact CZ3-CB 4.26Å; W223-V334 HydrophobicContact CH2-CB 3.91Å; W223-V334 HydrophobicContact CH2-CG1 3.97Å; W223-V334 HydrophobicContact CH2-CG2 4.1Å; W223-V334 HydrophobicContact CZ3-CB 3.74Å; W223-V334 HydrophobicContact CZ3-CG1 3.64Å; W223-V334 HydrophobicContact CZ3-CG2 4.43Å; W223-I335 HydrophobicContact CE3-CD1 4.47Å; W223-I335 HydrophobicContact CE3-CG1 4.17Å
224S91.7Very high96.9Very high67 Ų6745.9 Ų45.947%0.46923%0.226SC..THydrogen-bonded Turntrans-69.9142.9177.666.90000111.7I226 I335S224-I226 VanDerWaalsContact C-N 3.28Å; S224-I226 PolarHBondContact O-N 2.95Å; S224-I335 WeakPolarHBondContact O-CD1 3.46Å
225N91.3Very high96.9Very high124 Ų12445 Ų4566%0.66322%0.223SC*.THydrogen-bonded Turntrans71.60.3173.2-44.6-62.8000118
226I96.8Very high96.8Very high14 Ų1439.8 Ų39.87%0.07220%0.195CC..SBendtrans-136.6151.7164.565173.9000108.6D195 W223 S224 V228 I335 Y338D195-I226 HydrophobicContact CB-CB 4.14Å; W223-I226 HydrophobicContact CE3-CD1 4.14Å; W223-I226 HydrophobicContact CE3-CG1 4.48Å; W223-I226 HydrophobicContact CZ3-CD1 4.39Å; W223-I226 VanDerWaalsContact O-O 3.08Å; S224-I226 VanDerWaalsContact C-N 3.28Å; S224-I226 PolarHBondContact O-N 2.95Å; I226-V228 HydrophobicContact CD1-CG2 3.72Å; I226-V228 HydrophobicContact CG1-CG2 3.72Å; I226-I335 HydrophobicContact CD1-CG1 3.81Å; I226-I335 HydrophobicContact CG1-CG1 3.97Å; I226-Y338 HydrophobicContact CG2-CD1 3.74Å; I226-Y338 HydrophobicContact CG2-CE1 4.12Å; I226-Y338 HydrophobicContact CG2-CG 4.39Å
227T96.6Very high96.5Very high65 Ų6539.3 Ų39.340%0.39919%0.191SC..  trans-91119.5174.452.60000109.6P194 D195 L196P194-T227 WeakPolarHBondContact CA-OG1 3.26Å; P194-T227 WeakPolarHBondContact CB-O 3.21Å; D195-T227 WeakPolarHBondContact CB-O 3.42Å; D195-T227 VanDerWaalsContact CG-OG1 3.26Å; D195-T227 PolarHBondContact N-O 2.95Å; D195-T227 PolarHBondContact N-OG1 2.91Å; D195-T227 PolarHBondContact OD2-N 3.25Å; D195-T227 PolarHBondContact OD2-OG1 3.47Å; L196-T227 PolarHBondContact N-O 3.23Å; L196-T227 VanDerWaalsContact N-O 3.12Å
228V97.5Very high96.3Very high28 Ų2841.1 Ų41.117%0.1720%0.198CC..EExtended strand (participates in β ladder)trans-121.6135.5-179.4-1710000109.9L196 V198 W223 I226 F230L196-V228 HydrophobicContact CB-CG1 4.38Å; L196-V228 HydrophobicContact CB-CG2 4.21Å; L196-V228 HydrophobicContact CD2-CG1 4.19Å; L196-V228 HydrophobicContact CD2-CG2 4.32Å; L196-V228 HydrophobicContact CG-CG1 4.22Å; L196-V228 WeakPolarHBondContact O-CA 3.28Å; V198-V228 HydrophobicContact CG2-CG1 3.78Å; W223-V228 HydrophobicContact CB-CG2 4.2Å; W223-V228 HydrophobicContact CD2-CB 4.25Å; W223-V228 HydrophobicContact CD2-CG2 3.83Å; W223-V228 HydrophobicContact CE3-CB 4.29Å; W223-V228 HydrophobicContact CE3-CG2 3.43Å; W223-V228 VanDerWaalsContact CE3-CG2 3.43Å; W223-V228 HydrophobicContact CG-CB 4.38Å; W223-V228 HydrophobicContact CG-CG2 4.16Å; W223-V228 HydrophobicContact CZ3-CG2 4.03Å; I226-V228 HydrophobicContact CD1-CG2 3.72Å; I226-V228 HydrophobicContact CG1-CG2 3.72Å; V228-F230 HydrophobicContact CB-CE2 4.28Å; V228-F230 HydrophobicContact CB-CZ 4.49Å; V228-F230 HydrophobicContact CG1-CD2 4.37Å; V228-F230 HydrophobicContact CG1-CE1 4.25Å; V228-F230 HydrophobicContact CG1-CE2 3.78Å; V228-F230 HydrophobicContact CG1-CZ 3.69Å
229Q96.8Very high95.8Very high33 Ų3341.2 Ų41.215%0.15420%0.201CC..EExtended strand (participates in β ladder)trans-118.8143.8168.8-71.9-176.6-10.600109.7S183 I184 E191 P194 L196 I197 V198S183-Q229 PolarHBondContact O-NE2 2.97Å; S183-Q229 PolarHBondContact O-OE1 2.79Å; I184-Q229 HydrophobicContact CD1-CB 3.84Å; I184-Q229 HydrophobicContact CG1-CB 3.96Å; I184-Q229 HydrophobicContact CG1-CG 4.3Å; I184-Q229 VanDerWaalsContact CG1-OE1 3.31Å; I184-Q229 HydrophobicContact CG2-CB 4.38Å; E191-Q229 PolarHBondContact OE2-NE2 3.23Å; P194-Q229 HydrophobicContact CB-CB 4.42Å; P194-Q229 HydrophobicContact CB-CG 4.02Å; P194-Q229 HydrophobicContact CG-CB 4.17Å; P194-Q229 HydrophobicContact CG-CG 4Å; L196-Q229 PolarHBondContact O-N 2.9Å; I197-Q229 WeakPolarHBondContact CA-O 3.26Å; I197-Q229 HydrophobicContact CG1-CB 4.46Å; V198-Q229 PolarHBondContact N-O 3Å
230F98.1Very high95.3Very high18 Ų1844.8 Ų44.88%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-117.2135.8-177-66-87.5000110I184 V198 I200 F217 M218 W223 V228 L329I184-F230 WeakPolarHBondContact CD1-O 3.1Å; V198-F230 HydrophobicContact CB-CD1 3.47Å; V198-F230 VanDerWaalsContact CB-CD1 3.47Å; V198-F230 HydrophobicContact CB-CE1 3.65Å; V198-F230 HydrophobicContact CB-CG 4.37Å; V198-F230 HydrophobicContact CG1-CD1 3.68Å; V198-F230 HydrophobicContact CG1-CE1 3.83Å; V198-F230 HydrophobicContact CG2-CD1 4.05Å; V198-F230 HydrophobicContact CG2-CE1 3.69Å; V198-F230 HydrophobicContact CG2-CZ 4.38Å; V198-F230 WeakPolarHBondContact O-CA 3.42Å; I200-F230 HydrophobicContact CD1-CD1 4.24Å; F217-F230 AromaticContact CD2-CE1 3.88Å; F217-F230 HydrophobicContact CD2-CE1 3.88Å; F217-F230 HydrophobicContact CE2-CD1 4.17Å; F217-F230 AromaticContact CE2-CE1 3.86Å; F217-F230 HydrophobicContact CE2-CE1 3.86Å; M218-F230 HydrophobicContact CB-CD1 4.5Å; M218-F230 HydrophobicContact CB-CD2 4.1Å; M218-F230 HydrophobicContact CB-CE2 4.19Å; M218-F230 HydrophobicContact CB-CG 4.27Å; M218-F230 HydrophobicContact CB-CZ 4.44Å; M218-F230 HydrophobicContact CE-CB 3.53Å; M218-F230 HydrophobicContact CE-CD2 4.36Å; M218-F230 HydrophobicContact CE-CG 3.96Å; M218-F230 HydrophobicContact CG-CB 4.27Å; M218-F230 HydrophobicContact CG-CD1 3.64Å; M218-F230 HydrophobicContact CG-CD2 4.05Å; M218-F230 HydrophobicContact CG-CE1 3.95Å; M218-F230 HydrophobicContact CG-CE2 4.33Å; M218-F230 HydrophobicContact CG-CG 3.72Å; M218-F230 HydrophobicContact CG-CZ 4.29Å; M218-F230 HydrophobicContact SD-CB 4.2Å; M218-F230 HydrophobicContact SD-CD1 4.42Å; M218-F230 HydrophobicContact SD-CG 4.29Å; W223-F230 HydrophobicContact CD2-CZ 4.37Å; W223-F230 AromaticContact CE2-CZ 3.54Å; W223-F230 HydrophobicContact CZ2-CE1 4.17Å; W223-F230 AromaticContact CZ2-CZ 3.65Å; W223-F230 HydrophobicContact CZ2-CZ 3.65Å; W223-F230 AromaticContact NE1-CE2 3.9Å; W223-F230 AromaticContact NE1-CZ 3.43Å; V228-F230 HydrophobicContact CB-CE2 4.28Å; V228-F230 HydrophobicContact CB-CZ 4.49Å; V228-F230 HydrophobicContact CG1-CD2 4.37Å; V228-F230 HydrophobicContact CG1-CE1 4.25Å; V228-F230 HydrophobicContact CG1-CE2 3.78Å; V228-F230 HydrophobicContact CG1-CZ 3.69Å; F230-L329 HydrophobicContact CE1-CD1 4.48Å
231V98.5Very high95.1Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-133.6130.4177.360.60000110.6P181 I184 I197 V198 V199 I200 D285 L287 W308P181-V231 HydrophobicContact CB-CG2 4.27Å; P181-V231 HydrophobicContact CG-CG2 3.89Å; I184-V231 HydrophobicContact CD1-CB 4.11Å; I197-V231 HydrophobicContact CG2-CG1 4.17Å; V198-V231 PolarHBondContact O-N 2.81Å; V199-V231 HydrophobicContact CB-CG1 4.19Å; V199-V231 HydrophobicContact CG1-CG1 4.17Å; V199-V231 HydrophobicContact CG2-CG1 3.85Å; I200-V231 PolarHBondContact N-O 2.98Å; V231-D285 CarbonylContact C-O 3.52Å; V231-D285 WeakPolarHBondContact CA-O 3.2Å; V231-L287 HydrophobicContact CG2-CB 3.8Å; V231-W308 HydrophobicContact CB-CH2 4.05Å; V231-W308 HydrophobicContact CB-CZ3 4.48Å; V231-W308 HydrophobicContact CG1-CH2 3.72Å; V231-W308 HydrophobicContact CG1-CZ3 3.75Å; V231-W308 HydrophobicContact CG2-CH2 3.82Å; V231-W308 HydrophobicContact CG2-CZ3 4.24Å
232F98.8Very high94.8Very high1 Ų131.4 Ų31.40%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-88.6125.5168.2-62.2-73.2000109.9I200 R210 A213 R214 M218 D285 I286 L287I200-F232 HydrophobicContact CB-CD1 3.62Å; I200-F232 HydrophobicContact CB-CE1 3.91Å; I200-F232 HydrophobicContact CD1-CD1 3.89Å; I200-F232 HydrophobicContact CD1-CE1 3.39Å; I200-F232 HydrophobicContact CD1-CZ 3.87Å; I200-F232 HydrophobicContact CG1-CD1 4.34Å; I200-F232 HydrophobicContact CG1-CE1 4.25Å; I200-F232 HydrophobicContact CG2-CD1 3.7Å; I200-F232 HydrophobicContact CG2-CE1 3.77Å; I200-F232 WeakPolarHBondContact O-CA 3.37Å; R210-F232 HydrophobicContact CB-CD1 4.32Å; R210-F232 HydrophobicContact CB-CD2 4.39Å; R210-F232 HydrophobicContact CB-CE1 3.93Å; R210-F232 HydrophobicContact CB-CE2 4.01Å; R210-F232 HydrophobicContact CB-CZ 3.75Å; R210-F232 HydrophobicContact CG-CB 4.48Å; R210-F232 HydrophobicContact CG-CD1 3.55Å; R210-F232 HydrophobicContact CG-CD2 4.09Å; R210-F232 HydrophobicContact CG-CE1 3.62Å; R210-F232 HydrophobicContact CG-CE2 4.15Å; R210-F232 HydrophobicContact CG-CG 3.78Å; R210-F232 HydrophobicContact CG-CZ 3.92Å; A213-F232 HydrophobicContact CB-CE1 4.03Å; A213-F232 HydrophobicContact CB-CZ 3.9Å; R214-F232 HydrophobicContact CG-CE2 4.18Å; R214-F232 HydrophobicContact CG-CZ 4.35Å; M218-F232 HydrophobicContact CE-CE2 3.9Å; M218-F232 HydrophobicContact CE-CZ 4.07Å; M218-F232 HydrophobicContact SD-CE1 4.31Å; M218-F232 HydrophobicContact SD-CE2 3.91Å; M218-F232 HydrophobicContact SD-CZ 3.43Å; M218-F232 WeakPolarHBondContact SD-CZ 3.28Å; F232-D285 WeakPolarHBondContact CE2-OD2 3.33Å; F232-D285 PolarHBondContact N-O 2.98Å; F232-I286 HydrophobicContact CB-CG1 4.48Å; F232-I286 HydrophobicContact CD2-CG1 4.48Å; F232-L287 PolarHBondContact O-N 2.89Å
233V98.8Very high94.6Very high1 Ų131.2 Ų31.21%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-101.9120.6174.8-1740000109.8V199 I200 S202 L287 K301 F304 T305V199-V233 HydrophobicContact CG1-CG2 3.5Å; I200-V233 PolarHBondContact O-N 3.48Å; S202-V233 PolarHBondContact N-O 3.13Å; S202-V233 VanDerWaalsContact N-O 3.08Å; V233-L287 HydrophobicContact CG1-CD2 4.25Å; V233-L287 HydrophobicContact CG2-CB 4.39Å; V233-L287 HydrophobicContact CG2-CD2 4.05Å; V233-K301 HydrophobicContact CG1-CD 4.31Å; V233-K301 HydrophobicContact CG1-CG 3.8Å; V233-F304 HydrophobicContact CG1-CD1 3.72Å; V233-F304 HydrophobicContact CG1-CE1 3.85Å; V233-T305 HydrophobicContact CG2-CG2 4.39Å
234V98.3Very high94.5Very high0 Ų033.9 Ų33.90%019%0.188CC..EExtended strand (participates in β ladder)trans-132152.9-177.5-61.20000110.9L276 I286 L287 I288 G289V234-L276 HydrophobicContact CG2-CD1 4.29Å; V234-L276 HydrophobicContact CG2-CD2 3.89Å; V234-I286 HydrophobicContact CG2-CG2 3.55Å; V234-L287 PolarHBondContact N-O 2.92Å; V234-I288 HydrophobicContact CG2-CB 4.18Å; V234-I288 HydrophobicContact CG2-CG1 3.65Å; V234-I288 HydrophobicContact CG2-CG2 4.28Å; V234-I288 WeakPolarHBondContact O-CA 3.4Å; V234-G289 PolarHBondContact O-N 2.86Å
235G97.2Very high94.6Very high0 Ų032.6 Ų32.60%017%0.174CC..EExtended strand (participates in β ladder)trans-94.6-159.3163.500000110.4D293G235-D293 VanDerWaalsContact N-CG 3.33Å; G235-D293 PolarHBondContact N-OD2 2.72Å
236I95.1Very high94.8Very high3 Ų331.2 Ų31.22%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-119.4147175.464.6-170.9000111.3I60 L178 Y238 I273 I288 F291 H292 D293I60-I236 HydrophobicContact CD1-CD1 3.31Å; I60-I236 HydrophobicContact CD1-CG1 4.04Å; L178-I236 HydrophobicContact CD1-CD1 3.85Å; L178-I236 HydrophobicContact CD1-CG2 3.97Å; I236-Y238 HydrophobicContact CD1-CE2 4.12Å; I236-Y238 HydrophobicContact CG1-CD2 4.15Å; I236-Y238 HydrophobicContact CG1-CE2 3.8Å; I236-I273 HydrophobicContact CB-CD1 4.06Å; I236-I273 HydrophobicContact CG2-CD1 3.56Å; I236-I288 HydrophobicContact CG2-CG2 3.58Å; I236-F291 PolarHBondContact N-O 2.99Å; I236-H292 WeakPolarHBondContact O-CA 3.34Å; I236-D293 PolarHBondContact O-N 2.81Å
237P92.6Very high94.5Very high0 Ų032.9 Ų32.90%018%0.177CC..  trans-67.8152.5169.531.5-34.1000109.7W56 E241 F272W56-P237 WeakPolarHBondContact CZ2-O 3.44Å; P237-E241 WeakPolarHBondContact CA-OE1 3.36Å; P237-F272 HydrophobicContact CG-CB 4.28Å
238Y91.7Very high94Very high40 Ų4031.9 Ų31.916%0.15718%0.18CC..  trans-107.7157176.6-90-146.3000110.9I60 N64 I236 N240 E241 R269 H292I60-Y238 HydrophobicContact CD1-CD2 4.11Å; I60-Y238 HydrophobicContact CD1-CE2 3.92Å; I60-Y238 HydrophobicContact CG2-CD1 4.45Å; I60-Y238 HydrophobicContact CG2-CE1 4.35Å; N64-Y238 WeakPolarHBondContact ND2-CE1 3Å; N64-Y238 VanDerWaalsContact ND2-CZ 3.3Å; N64-Y238 PolarHBondContact ND2-OH 2.94Å; N64-Y238 PolarHBondContact OD1-OH 3.33Å; I236-Y238 HydrophobicContact CD1-CE2 4.12Å; I236-Y238 HydrophobicContact CG1-CD2 4.15Å; I236-Y238 HydrophobicContact CG1-CE2 3.8Å; Y238-N240 VanDerWaalsContact C-N 3.31Å; Y238-N240 PolarHBondContact O-N 2.94Å; Y238-E241 PolarHBondContact N-OE1 3.27Å; Y238-E241 VanDerWaalsContact O-CG 3.23Å; Y238-E241 WeakPolarHBondContact O-CG 3.47Å; Y238-R269 WeakPolarHBondContact O-CD 3.01Å; Y238-H292 HydrophobicContact CD1-CB 3.98Å; Y238-H292 HydrophobicContact CD2-CB 3.61Å; Y238-H292 AromaticContact CD2-CD2 3.8Å; Y238-H292 AromaticContact CD2-CG 3.77Å; Y238-H292 HydrophobicContact CE1-CB 3.99Å; Y238-H292 HydrophobicContact CE2-CB 3.64Å; Y238-H292 HydrophobicContact CG-CB 3.8Å; Y238-H292 AromaticContact CG-CD2 3.81Å; Y238-H292 AromaticContact CG-CG 3.64Å
239P88.9Confident93.6Very high28 Ų2838.1 Ų38.118%0.18221%0.212CC..SBendtrans-66.2-28.8-177.124.8-34.1000114.6W56 L57 R269W56-P239 HydrophobicContact CH2-CB 3.8Å; W56-P239 HydrophobicContact CZ3-CB 3.98Å; L57-P239 HydrophobicContact CD2-CB 3.44Å; L57-P239 VanDerWaalsContact CD2-CB 3.44Å; L57-P239 HydrophobicContact CD2-CG 3.75Å; P239-R269 PolarHBondContact O-NH1 2.69Å
240N85.9Confident93.3Very high149 Ų14938 Ų3880%0.79721%0.212SC*.SBendtrans-119.768.4-177.1-62-20.8000110Y238Y238-N240 VanDerWaalsContact C-N 3.31Å; Y238-N240 PolarHBondContact O-N 2.94Å
241E90.7Very high93.2Very high11 Ų1142.6 Ų42.65%0.05123%0.232CC..  trans-77.3149.2176.4-54.6-170.8138.700111.2Y205 P237 Y238 W258 W259 S262 R269 H292Y205-E241 PolarHBondContact OH-OE2 3.43Å; P237-E241 WeakPolarHBondContact CA-OE1 3.36Å; Y238-E241 PolarHBondContact N-OE1 3.27Å; Y238-E241 VanDerWaalsContact O-CG 3.23Å; Y238-E241 WeakPolarHBondContact O-CG 3.47Å; E241-W258 HydrophobicContact CB-CH2 4.22Å; E241-W259 HydrophobicContact CB-CZ3 4.34Å; E241-W259 VanDerWaalsContact O-CH2 3.27Å; E241-W259 WeakPolarHBondContact O-CH2 3.31Å; E241-W259 WeakPolarHBondContact O-CZ3 3.14Å; E241-S262 WeakPolarHBondContact OE2-CB 3.33Å; E241-S262 PolarHBondContact OE2-OG 3.25Å; E241-R269 IonicContact OE2-NE 2.88Å; E241-R269 PolarHBondContact OE2-NE 3.27Å; E241-H292 IonicContact OE1-CD2 3.82Å; E241-H292 IonicContact OE1-CE1 3.82Å; E241-H292 IonicContact OE1-NE2 2.77Å; E241-H292 PolarHBondContact OE1-NE2 2.91Å
242S91.2Very high93Very high44 Ų4442.6 Ų42.631%0.30823%0.232SC..  trans-139.8149.9175.2173.30000107.6M244 F245S242-M244 VanDerWaalsContact C-N 3.32Å; S242-M244 WeakPolarHBondContact CB-O 3.32Å; S242-M244 WeakPolarHBondContact OG-CA 3.31Å; S242-M244 WeakPolarHBondContact OG-CB 3.2Å; S242-M244 PolarHBondContact OG-N 2.99Å; S242-M244 PolarHBondContact OG-O 3.01Å; S242-F245 WeakPolarHBondContact O-CE2 3.48Å; S242-F245 WeakPolarHBondContact O-CZ 3.41Å
243N93.6Very high92.8Very high13 Ų1346 Ų467%0.0725%0.247CC..SBendtrans-85.3-11.9163.867.2-20.7000112.4K253 L254 D256 W258 W259N243-K253 VanDerWaalsContact ND2-CE 3.3Å; N243-K253 WeakPolarHBondContact ND2-CE 3.36Å; N243-K253 CarbonylContact O-C 3.53Å; N243-K253 VanDerWaalsContact O-CA 3.32Å; N243-K253 WeakPolarHBondContact O-CA 3.44Å; N243-L254 HydrophobicContact CB-CB 4.31Å; N243-L254 PolarHBondContact O-N 2.8Å; N243-D256 PolarHBondContact ND2-OD1 3.38Å; N243-W258 HydrophobicContact CB-CZ3 4.36Å; N243-W259 HydrophobicContact CB-CB 3.75Å; N243-W259 HydrophobicContact CB-CD2 3.73Å; N243-W259 HydrophobicContact CB-CE3 4.04Å; N243-W259 HydrophobicContact CB-CG 3.6Å; N243-W259 VanDerWaalsContact ND2-CD1 3.25Å
244M94.6Very high92.5Very high73 Ų7346.3 Ų46.336%0.3625%0.249SC..EExtended strand (participates in β ladder)trans-94.2124.1174.1-63.2-58.7-59.300110.2S242 K251 F252 K253 I369S242-M244 VanDerWaalsContact C-N 3.32Å; S242-M244 WeakPolarHBondContact CB-O 3.32Å; S242-M244 WeakPolarHBondContact OG-CA 3.31Å; S242-M244 WeakPolarHBondContact OG-CB 3.2Å; S242-M244 PolarHBondContact OG-N 2.99Å; S242-M244 PolarHBondContact OG-O 3.01Å; M244-K251 HydrophobicContact CE-CB 4.36Å; M244-F252 WeakPolarHBondContact CA-O 3.46Å; M244-K253 HydrophobicContact CE-CB 4.43Å; M244-K253 HydrophobicContact SD-CB 3.65Å; M244-K253 HydrophobicContact SD-CD 3.94Å; M244-K253 HydrophobicContact SD-CG 3.58Å; M244-K253 VanDerWaalsContact SD-CG 3.58Å; M244-I369 HydrophobicContact CE-CD1 4.3Å; M244-I369 HydrophobicContact CE-CG1 4.39Å
245F94.6Very high92Very high39 Ų3953.6 Ų53.617%0.17128%0.28CS..EExtended strand (participates in β ladder)trans-124148.1177.6-67.2-103.4000109.9S242 F247 K251 F252 L254 T294 F296S242-F245 WeakPolarHBondContact O-CE2 3.48Å; S242-F245 WeakPolarHBondContact O-CZ 3.41Å; F245-F247 HydrophobicContact CB-CD2 4.31Å; F245-F247 HydrophobicContact CB-CE2 3.64Å; F245-F247 HydrophobicContact CB-CZ 4.22Å; F245-F247 HydrophobicContact CD1-CZ 4.33Å; F245-F247 HydrophobicContact CG-CE2 4.4Å; F245-K251 CarbonylContact O-C 3.35Å; F245-K251 WeakPolarHBondContact O-CA 3.46Å; F245-F252 HydrophobicContact CB-CB 4.47Å; F245-F252 PolarHBondContact N-O 3.31Å; F245-F252 PolarHBondContact O-N 2.93Å; F245-L254 HydrophobicContact CD2-CD1 4.24Å; F245-L254 HydrophobicContact CD2-CG 4.07Å; F245-L254 HydrophobicContact CE2-CD1 3.44Å; F245-L254 VanDerWaalsContact CE2-CD1 3.44Å; F245-L254 HydrophobicContact CE2-CG 3.74Å; F245-L254 HydrophobicContact CZ-CD1 4Å; F245-T294 HydrophobicContact CZ-CG2 4.08Å; F245-F296 HydrophobicContact CB-CD2 4.03Å; F245-F296 HydrophobicContact CB-CE2 3.79Å; F245-F296 AromaticContact CD1-CD2 3.8Å; F245-F296 HydrophobicContact CD1-CD2 3.8Å; F245-F296 HydrophobicContact CD1-CE2 4.32Å; F245-F296 AromaticContact CD2-CD2 3.75Å; F245-F296 HydrophobicContact CD2-CD2 3.75Å; F245-F296 AromaticContact CD2-CE2 3.54Å; F245-F296 HydrophobicContact CD2-CE2 3.54Å; F245-F296 HydrophobicContact CE1-CD2 4.17Å; F245-F296 HydrophobicContact CE2-CD2 4.13Å; F245-F296 HydrophobicContact CE2-CE2 4.19Å; F245-F296 AromaticContact CG-CD2 3.58Å; F245-F296 HydrophobicContact CG-CD2 3.58Å; F245-F296 AromaticContact CG-CE2 3.63Å; F245-F296 HydrophobicContact CG-CE2 3.63Å; F245-F296 HydrophobicContact CZ-CD2 4.33Å
246T93.6Very high91.4Very high96 Ų9657.8 Ų57.859%0.58930%0.303SS*.EExtended strand (participates in β ladder)trans-122.1126177.2-57.50000109.2G248 N250T246-G248 WeakPolarHBondContact CG2-O 3.46Å; T246-N250 WeakPolarHBondContact CA-O 3.45Å
247F92Very high90.9Very high49 Ų4961 Ų6122%0.21533%0.325CS..EExtended strand (participates in β ladder)trans-127.3114.2174.6-60.3-81.8000109.4F245 N249 N250 F252 F296 M376 R415F245-F247 HydrophobicContact CB-CD2 4.31Å; F245-F247 HydrophobicContact CB-CE2 3.64Å; F245-F247 HydrophobicContact CB-CZ 4.22Å; F245-F247 HydrophobicContact CD1-CZ 4.33Å; F245-F247 HydrophobicContact CG-CE2 4.4Å; F247-N249 PolarHBondContact O-N 2.84Å; F247-N250 PolarHBondContact N-O 2.99Å; F247-N250 PolarHBondContact O-N 2.87Å; F247-N250 VanDerWaalsContact O-N 3.15Å; F247-F252 HydrophobicContact CB-CD2 4.49Å; F247-F252 HydrophobicContact CB-CE2 3.91Å; F247-F252 AromaticContact CD2-CD2 3.56Å; F247-F252 HydrophobicContact CD2-CD2 3.56Å; F247-F252 AromaticContact CD2-CE2 3.7Å; F247-F252 HydrophobicContact CD2-CE2 3.7Å; F247-F252 HydrophobicContact CD2-CG 4.19Å; F247-F252 HydrophobicContact CD2-CZ 4.41Å; F247-F252 HydrophobicContact CE2-CD2 4.33Å; F247-F252 HydrophobicContact CG-CE2 4.3Å; F247-F296 HydrophobicContact CE2-CB 4.42Å; F247-F296 HydrophobicContact CE2-CD1 4.11Å; F247-F296 AromaticContact CE2-CD2 3.8Å; F247-F296 HydrophobicContact CE2-CD2 3.8Å; F247-F296 HydrophobicContact CE2-CE1 4.34Å; F247-F296 HydrophobicContact CE2-CE2 4.03Å; F247-F296 AromaticContact CE2-CG 3.84Å; F247-F296 HydrophobicContact CE2-CG 3.84Å; F247-F296 HydrophobicContact CE2-CZ 4.31Å; F247-F296 HydrophobicContact CZ-CB 3.87Å; F247-F296 HydrophobicContact CZ-CD1 4.35Å; F247-F296 AromaticContact CZ-CD2 3.96Å; F247-F296 HydrophobicContact CZ-CD2 3.96Å; F247-F296 AromaticContact CZ-CG 3.8Å; F247-F296 HydrophobicContact CZ-CG 3.8Å; F247-M376 VanDerWaalsContact C-SD 3.58Å; F247-M376 HydrophobicContact CB-CE 3.58Å; F247-M376 HydrophobicContact CB-SD 3.83Å; F247-M376 HydrophobicContact CG-CE 4.46Å; F247-M376 VanDerWaalsContact O-SD 3.34Å; F247-R415 VanDerWaalsContact CE1-CD 3.47Å; F247-R415 VanDerWaalsContact CZ-CD 3.43Å
248G86.3Confident90.4Very high43 Ų4363 Ų6344%0.44333%0.333SS..THydrogen-bonded Turntrans60.8-127.3-16500000109.7T246T246-G248 WeakPolarHBondContact CG2-O 3.46Å
249N87.9Confident90.2Very high160 Ų16063 Ų6386%0.85633%0.333SS*.THydrogen-bonded Turntrans-94.21.3177.1-62.3-14.8000113.3F247F247-N249 PolarHBondContact O-N 2.84Å
250N91.8Very high90.1Very high29 Ų2970 Ų7016%0.15536%0.355CS..EExtended strand (participates in β ladder)trans-100.8137.3-171.3-58.6-72.4000111.5T246 F247 F252 P363 S364T246-N250 WeakPolarHBondContact CA-O 3.45Å; F247-N250 PolarHBondContact N-O 2.99Å; F247-N250 PolarHBondContact O-N 2.87Å; F247-N250 VanDerWaalsContact O-N 3.15Å; N250-F252 HydrophobicContact CB-CE2 3.7Å; N250-F252 HydrophobicContact CB-CZ 4.25Å; N250-F252 WeakPolarHBondContact O-CD2 3.35Å; N250-F252 WeakPolarHBondContact O-CE2 3.45Å; N250-P363 HydrophobicContact CB-CB 3.84Å; N250-P363 HydrophobicContact CB-CG 4.47Å; N250-P363 WeakPolarHBondContact OD1-CB 3.03Å; N250-S364 PolarHBondContact OD1-O 3.36Å
251K94.3Very high89.9Confident115 Ų11566.8 Ų66.850%0.534%0.338SS..EExtended strand (participates in β ladder)trans-98.3142.2178.2-64.2177.2-175.7172.20110.6M244 F245 S370M244-K251 HydrophobicContact CE-CB 4.36Å; F245-K251 CarbonylContact O-C 3.35Å; F245-K251 WeakPolarHBondContact O-CA 3.46Å; K251-S370 WeakPolarHBondContact O-CB 3.19Å; K251-S370 PolarHBondContact O-N 3.2Å
252F95.1Very high89.6Confident0 Ų066.3 Ų66.30%034%0.336CS..EExtended strand (participates in β ladder)trans-132.6142.4-179.7-61.5-107.8000109.1M244 F245 F247 N250 F296 P363 S371 A374M244-F252 WeakPolarHBondContact CA-O 3.46Å; F245-F252 HydrophobicContact CB-CB 4.47Å; F245-F252 PolarHBondContact N-O 3.31Å; F245-F252 PolarHBondContact O-N 2.93Å; F247-F252 HydrophobicContact CB-CD2 4.49Å; F247-F252 HydrophobicContact CB-CE2 3.91Å; F247-F252 AromaticContact CD2-CD2 3.56Å; F247-F252 HydrophobicContact CD2-CD2 3.56Å; F247-F252 AromaticContact CD2-CE2 3.7Å; F247-F252 HydrophobicContact CD2-CE2 3.7Å; F247-F252 HydrophobicContact CD2-CG 4.19Å; F247-F252 HydrophobicContact CD2-CZ 4.41Å; F247-F252 HydrophobicContact CE2-CD2 4.33Å; F247-F252 HydrophobicContact CG-CE2 4.3Å; N250-F252 HydrophobicContact CB-CE2 3.7Å; N250-F252 HydrophobicContact CB-CZ 4.25Å; N250-F252 WeakPolarHBondContact O-CD2 3.35Å; N250-F252 WeakPolarHBondContact O-CE2 3.45Å; F252-F296 HydrophobicContact CB-CE2 4.13Å; F252-F296 HydrophobicContact CB-CZ 3.68Å; F252-F296 HydrophobicContact CD1-CE1 4.36Å; F252-F296 HydrophobicContact CD1-CZ 4.2Å; F252-F296 HydrophobicContact CG-CZ 4.19Å; F252-P363 HydrophobicContact CZ-CG 4.27Å; F252-S371 VanDerWaalsContact CD1-O 3.24Å; F252-S371 WeakPolarHBondContact CD1-O 3.45Å; F252-S371 VanDerWaalsContact CE1-O 3.31Å; F252-S371 WeakPolarHBondContact CE1-O 3.42Å; F252-A374 HydrophobicContact CE1-CB 3.93Å; F252-A374 WeakPolarHBondContact CE1-O 3.28Å
253K94.6Very high89.3Confident73 Ų7371 Ų7132%0.31735%0.347SS..EExtended strand (participates in β ladder)trans-122.7117.9178.6-171.8-179.6175.8-1580110.8N243 M244 D256 I369 I372N243-K253 VanDerWaalsContact ND2-CE 3.3Å; N243-K253 WeakPolarHBondContact ND2-CE 3.36Å; N243-K253 CarbonylContact O-C 3.53Å; N243-K253 VanDerWaalsContact O-CA 3.32Å; N243-K253 WeakPolarHBondContact O-CA 3.44Å; M244-K253 HydrophobicContact CE-CB 4.43Å; M244-K253 HydrophobicContact SD-CB 3.65Å; M244-K253 HydrophobicContact SD-CD 3.94Å; M244-K253 HydrophobicContact SD-CG 3.58Å; M244-K253 VanDerWaalsContact SD-CG 3.58Å; K253-D256 WeakPolarHBondContact CE-OD1 3.43Å; K253-D256 IonicContact NZ-OD1 3.14Å; K253-D256 PolarHBondContact NZ-OD1 3.23Å; K253-D256 IonicContact NZ-OD2 3.91Å; K253-D256 PolarHBondContact NZ-OD2 3.25Å; K253-I369 HydrophobicContact CB-CD1 4.16Å; K253-I369 HydrophobicContact CB-CG2 3.63Å; K253-I369 HydrophobicContact CD-CD1 4.19Å; K253-I372 WeakPolarHBondContact O-CG2 3.41Å
254L93.1Very high88.7Confident8 Ų878.1 Ų78.14%0.04238%0.377CS..  trans-70.8157.3170.1-64.2-172.5000111.3N243 F245 W258 Y295 F296 I372N243-L254 HydrophobicContact CB-CB 4.31Å; N243-L254 PolarHBondContact O-N 2.8Å; F245-L254 HydrophobicContact CD2-CD1 4.24Å; F245-L254 HydrophobicContact CD2-CG 4.07Å; F245-L254 HydrophobicContact CE2-CD1 3.44Å; F245-L254 VanDerWaalsContact CE2-CD1 3.44Å; F245-L254 HydrophobicContact CE2-CG 3.74Å; F245-L254 HydrophobicContact CZ-CD1 4Å; L254-W258 HydrophobicContact CB-CE3 4.46Å; L254-W258 HydrophobicContact CD1-CE3 4.24Å; L254-W258 HydrophobicContact CD1-CZ3 4.2Å; L254-Y295 HydrophobicContact CD2-CD1 4.07Å; L254-Y295 HydrophobicContact CD2-CG 4.18Å; L254-F296 HydrophobicContact CD1-CE2 4.43Å; L254-F296 HydrophobicContact CD2-CD2 4.02Å; L254-F296 HydrophobicContact CD2-CE1 4.43Å; L254-F296 HydrophobicContact CD2-CE2 3.41Å; L254-F296 VanDerWaalsContact CD2-CE2 3.41Å; L254-F296 HydrophobicContact CD2-CZ 3.64Å; L254-F296 HydrophobicContact CG-CD2 4.38Å; L254-F296 HydrophobicContact CG-CE2 3.84Å; L254-F296 HydrophobicContact CG-CZ 4.48Å; L254-I372 HydrophobicContact CD2-CG2 4.12Å
255K87.3Confident87.8Confident152 Ų15276.5 Ų76.566%0.66137%0.369SS*.  trans-54.5138.9-179.5-68.4-177.2178.5177.60111.7S257 W258 W259K255-S257 PolarHBondContact O-N 3.06Å; K255-W258 PolarHBondContact O-N 3.12Å; K255-W259 PolarHBondContact O-N 3.36Å
256D84.7Confident86.8Confident89 Ų8978.7 Ų78.748%0.47638%0.382SS..Hα-helixtrans-67.2-18.8-178.2-71.3-39.1000113.2N243 K253 W259 R260N243-D256 PolarHBondContact ND2-OD1 3.38Å; K253-D256 WeakPolarHBondContact CE-OD1 3.43Å; K253-D256 IonicContact NZ-OD1 3.14Å; K253-D256 PolarHBondContact NZ-OD1 3.23Å; K253-D256 IonicContact NZ-OD2 3.91Å; K253-D256 PolarHBondContact NZ-OD2 3.25Å; D256-W259 PolarHBondContact O-N 3.05Å; D256-R260 VanDerWaalsContact O-CB 3.28Å; D256-R260 WeakPolarHBondContact O-CB 3.47Å; D256-R260 PolarHBondContact O-N 3.39Å
257S84.2Confident85.8Confident69 Ų6983.1 Ų83.148%0.48339%0.393SS..Hα-helixtrans-64.5-51.7175.753.80000112.6K255 W259 R260 L261K255-S257 PolarHBondContact O-N 3.06Å; S257-W259 VanDerWaalsContact C-N 3.29Å; S257-W259 PolarHBondContact O-N 2.9Å; S257-R260 PolarHBondContact O-N 3.13Å; S257-L261 PolarHBondContact O-N 3.08Å
258W83.4Confident85.1Confident44 Ų4484 Ų8417%0.16740%0.4CS..Hα-helixtrans-60.3-42.6173172.889.1000110.6Y205 E241 N243 L254 K255 R260 L261 S262 T294Y205-W258 AromaticContact CD2-NE1 3.98Å; E241-W258 HydrophobicContact CB-CH2 4.22Å; N243-W258 HydrophobicContact CB-CZ3 4.36Å; L254-W258 HydrophobicContact CB-CE3 4.46Å; L254-W258 HydrophobicContact CD1-CE3 4.24Å; L254-W258 HydrophobicContact CD1-CZ3 4.2Å; K255-W258 PolarHBondContact O-N 3.12Å; W258-R260 VanDerWaalsContact C-N 3.33Å; W258-R260 PolarHBondContact O-N 3.2Å; W258-L261 PolarHBondContact O-N 2.87Å; W258-S262 PolarHBondContact O-N 3.46Å; W258-T294 HydrophobicContact CZ2-CG2 4.31Å
259W86.2Confident85.1Confident40 Ų4082.3 Ų82.315%0.15238%0.38CS..Hα-helixtrans-62.6-39.2179.4-175.4-133.7000112.9E241 N243 K255 D256 S257 L261 S262 R263E241-W259 HydrophobicContact CB-CZ3 4.34Å; E241-W259 VanDerWaalsContact O-CH2 3.27Å; E241-W259 WeakPolarHBondContact O-CH2 3.31Å; E241-W259 WeakPolarHBondContact O-CZ3 3.14Å; N243-W259 HydrophobicContact CB-CB 3.75Å; N243-W259 HydrophobicContact CB-CD2 3.73Å; N243-W259 HydrophobicContact CB-CE3 4.04Å; N243-W259 HydrophobicContact CB-CG 3.6Å; N243-W259 VanDerWaalsContact ND2-CD1 3.25Å; K255-W259 PolarHBondContact O-N 3.36Å; D256-W259 PolarHBondContact O-N 3.05Å; S257-W259 VanDerWaalsContact C-N 3.29Å; S257-W259 PolarHBondContact O-N 2.9Å; W259-L261 VanDerWaalsContact C-N 3.31Å; W259-L261 PolarHBondContact O-N 2.68Å; W259-S262 PolarHBondContact O-N 2.83Å; W259-R263 HydrophobicContact CD2-CG 3.78Å; W259-R263 VanDerWaalsContact CE2-CD 3.43Å; W259-R263 VanDerWaalsContact CE2-CG 3.41Å; W259-R263 HydrophobicContact CE3-CG 4.15Å; W259-R263 HydrophobicContact CG-CG 4.38Å; W259-R263 HydrophobicContact CH2-CG 3.83Å; W259-R263 HydrophobicContact CZ2-CG 3.45Å; W259-R263 VanDerWaalsContact CZ2-CG 3.45Å; W259-R263 HydrophobicContact CZ3-CG 4.17Å; W259-R263 WeakPolarHBondContact O-CB 3.34Å; W259-R263 WeakPolarHBondContact O-CG 3.48Å; W259-R263 PolarHBondContact O-N 3.48Å
260R86.4Confident85Confident173 Ų17375.7 Ų75.765%0.65334%0.343SS*.Hα-helixtrans-61.6-40.3176.1-176.5176.365.4-1801.4111.6D256 S257 W258 K264D256-R260 VanDerWaalsContact O-CB 3.28Å; D256-R260 WeakPolarHBondContact O-CB 3.47Å; D256-R260 PolarHBondContact O-N 3.39Å; S257-R260 PolarHBondContact O-N 3.13Å; W258-R260 VanDerWaalsContact C-N 3.33Å; W258-R260 PolarHBondContact O-N 3.2Å; R260-K264 PolarHBondContact O-N 2.76Å; R260-K264 VanDerWaalsContact O-N 3.1Å
261L82.5Confident84.9Confident83 Ų8375.7 Ų75.744%0.43535%0.345SS..Hα-helixtrans-65.3-51174.4-69.2172.2000110.8S257 W258 W259 R263 K264 H265S257-L261 PolarHBondContact O-N 3.08Å; W258-L261 PolarHBondContact O-N 2.87Å; W259-L261 VanDerWaalsContact C-N 3.31Å; W259-L261 PolarHBondContact O-N 2.68Å; L261-R263 PolarHBondContact O-N 3.27Å; L261-K264 WeakPolarHBondContact O-CB 3.13Å; L261-K264 PolarHBondContact O-N 2.86Å; L261-H265 PolarHBondContact O-CD2 3.46Å
262S84.2Confident84.6Confident0 Ų071.4 Ų71.40%033%0.326CS..Hα-helixtrans-55-48.1176.7176.60000112E241 W258 W259 K264 H265 D266 R269E241-S262 WeakPolarHBondContact OE2-CB 3.33Å; E241-S262 PolarHBondContact OE2-OG 3.25Å; W258-S262 PolarHBondContact O-N 3.46Å; W259-S262 PolarHBondContact O-N 2.83Å; S262-K264 PolarHBondContact O-N 2.71Å; S262-H265 CarbonylContact O-C 3.12Å; S262-H265 PolarHBondContact O-N 2.83Å; S262-H265 VanDerWaalsContact O-N 3.09Å; S262-D266 PolarHBondContact O-N 3.19Å; S262-R269 PolarHBondContact OG-NH2 3.29Å
263R84.1Confident84.5Confident144 Ų14471.5 Ų71.554%0.54333%0.326SS..Hα-helixtrans-65.2-35.5-179.5-77-163.3-55.5172.78114.4W259 L261 H265 D266W259-R263 HydrophobicContact CD2-CG 3.78Å; W259-R263 VanDerWaalsContact CE2-CD 3.43Å; W259-R263 VanDerWaalsContact CE2-CG 3.41Å; W259-R263 HydrophobicContact CE3-CG 4.15Å; W259-R263 HydrophobicContact CG-CG 4.38Å; W259-R263 HydrophobicContact CH2-CG 3.83Å; W259-R263 HydrophobicContact CZ2-CG 3.45Å; W259-R263 VanDerWaalsContact CZ2-CG 3.45Å; W259-R263 HydrophobicContact CZ3-CG 4.17Å; W259-R263 WeakPolarHBondContact O-CB 3.34Å; W259-R263 WeakPolarHBondContact O-CG 3.48Å; W259-R263 PolarHBondContact O-N 3.48Å; L261-R263 PolarHBondContact O-N 3.27Å; R263-H265 PolarHBondContact O-N 2.78Å; R263-D266 WeakPolarHBondContact O-CB 3.24Å; R263-D266 PolarHBondContact O-N 2.83Å; R263-D266 VanDerWaalsContact O-N 3.12Å
264K81.2Confident84.5Confident162 Ų16272.5 Ų72.570%0.70433%0.331SS*.Hα-helixtrans-54.2-23.2175.2-175.5179.8174.4-174.90111.2R260 L261 S262R260-K264 PolarHBondContact O-N 2.76Å; R260-K264 VanDerWaalsContact O-N 3.1Å; L261-K264 WeakPolarHBondContact O-CB 3.13Å; L261-K264 PolarHBondContact O-N 2.86Å; S262-K264 PolarHBondContact O-N 2.71Å
265H77.2Confident84.5Confident39 Ų3979.2 Ų79.218%0.18136%0.356CS..THydrogen-bonded Turntrans-120.414.6-174.1-57.7-65000113.4L261 S262 R263 K267 D268 R269 F272L261-H265 PolarHBondContact O-CD2 3.46Å; S262-H265 CarbonylContact O-C 3.12Å; S262-H265 PolarHBondContact O-N 2.83Å; S262-H265 VanDerWaalsContact O-N 3.09Å; R263-H265 PolarHBondContact O-N 2.78Å; H265-K267 VanDerWaalsContact C-N 3.29Å; H265-K267 PolarHBondContact O-N 3.21Å; H265-D268 CarbonylContact O-C 3.23Å; H265-D268 VanDerWaalsContact O-C 3.23Å; H265-D268 PolarHBondContact O-N 3.36Å; H265-R269 WeakPolarHBondContact O-CG 3.32Å; H265-R269 PolarHBondContact O-N 2.7Å; H265-F272 HydrophobicContact CB-CD2 3.93Å; H265-F272 HydrophobicContact CB-CE2 3.35Å; H265-F272 HydrophobicContact CB-CZ 4.21Å; H265-F272 AromaticContact CD2-CE2 3.27Å; H265-F272 WeakPolarHBondContact CD2-CE2 3.46Å; H265-F272 AromaticContact CD2-CZ 3.15Å; H265-F272 WeakPolarHBondContact CD2-CZ 3.25Å; H265-F272 AromaticContact CE1-CE2 3.7Å; H265-F272 AromaticContact CE1-CZ 3.54Å; H265-F272 AromaticContact CG-CE2 3Å; H265-F272 AromaticContact CG-CZ 3.43Å; H265-F272 VanDerWaalsContact CG-CZ 3.43Å; H265-F272 AromaticContact ND1-CE2 3.31Å; H265-F272 VanDerWaalsContact ND1-CE2 3.31Å; H265-F272 WeakPolarHBondContact ND1-CE2 3.12Å; H265-F272 AromaticContact ND1-CZ 3.66Å; H265-F272 AromaticContact NE2-CE2 3.75Å; H265-F272 AromaticContact NE2-CZ 3.28Å; H265-F272 VanDerWaalsContact NE2-CZ 3.28Å; H265-F272 WeakPolarHBondContact NE2-CZ 3.14Å
266D73.3Confident84.9Confident84 Ų8472.1 Ų72.145%0.44933%0.325SS..G310 helixtrans-54.2-42.5-175.3-175.460.7000113.1S262 R263 D268 R269S262-D266 PolarHBondContact O-N 3.19Å; R263-D266 WeakPolarHBondContact O-CB 3.24Å; R263-D266 PolarHBondContact O-N 2.83Å; R263-D266 VanDerWaalsContact O-N 3.12Å; D266-D268 VanDerWaalsContact C-N 3.25Å; D266-D268 PolarHBondContact O-N 3.18Å; D266-R269 IonicContact OD1-CZ 3.38Å; D266-R269 IonicContact OD1-NH1 3.27Å; D266-R269 PolarHBondContact OD1-NH1 2.74Å; D266-R269 IonicContact OD1-NH2 2.68Å; D266-R269 PolarHBondContact OD1-NH2 3.1Å
267K71.7Confident85.5Confident190 Ų19068.2 Ų68.283%0.82631%0.305SS*.G310 helixtrans-70.9-18178.9-66.1-173.8178.1-178.90113.8H265H265-K267 VanDerWaalsContact C-N 3.29Å; H265-K267 PolarHBondContact O-N 3.21Å
268D77.8Confident86.1Confident67 Ų6770.6 Ų70.636%0.35831%0.31SS..G310 helixtrans-149.642.4-169.8-16011.6000114H265 D266 W270 T271H265-D268 CarbonylContact O-C 3.23Å; H265-D268 VanDerWaalsContact O-C 3.23Å; H265-D268 PolarHBondContact O-N 3.36Å; D266-D268 VanDerWaalsContact C-N 3.25Å; D266-D268 PolarHBondContact O-N 3.18Å; D268-W270 PolarHBondContact O-N 3.3Å; D268-W270 VanDerWaalsContact O-N 3.08Å; D268-T271 VanDerWaalsContact CG-CG2 3.41Å; D268-T271 PolarHBondContact O-N 2.97Å; D268-T271 PolarHBondContact O-OG1 3.41Å; D268-T271 WeakPolarHBondContact OD2-CG2 3.39Å
269R85.3Confident86.7Confident7 Ų769.8 Ų69.83%0.02631%0.308CS..THydrogen-bonded Turntrans-55-28.3175.5-69.8-173.3176.992.110112.7W56 Y238 P239 E241 S262 H265 D266 T271 F272W56-R269 HydrophobicContact CH2-CB 3.73Å; W56-R269 HydrophobicContact CZ2-CB 4.43Å; W56-R269 HydrophobicContact CZ3-CB 4.4Å; Y238-R269 WeakPolarHBondContact O-CD 3.01Å; P239-R269 PolarHBondContact O-NH1 2.69Å; E241-R269 IonicContact OE2-NE 2.88Å; E241-R269 PolarHBondContact OE2-NE 3.27Å; S262-R269 PolarHBondContact OG-NH2 3.29Å; H265-R269 WeakPolarHBondContact O-CG 3.32Å; H265-R269 PolarHBondContact O-N 2.7Å; D266-R269 IonicContact OD1-CZ 3.38Å; D266-R269 IonicContact OD1-NH1 3.27Å; D266-R269 PolarHBondContact OD1-NH1 2.74Å; D266-R269 IonicContact OD1-NH2 2.68Å; D266-R269 PolarHBondContact OD1-NH2 3.1Å; R269-T271 PolarHBondContact O-N 3.33Å; R269-F272 WeakPolarHBondContact O-CB 3.39Å; R269-F272 PolarHBondContact O-N 3.23Å
270W87.3Confident87.2Confident21 Ų2167.9 Ų67.98%0.0830%0.301CS..Hα-helixtrans-45.4-44.1168.6156.1-115.4000113.6C49 T50 Q51 S52 R53 W56 D268 F272 I273 K274C49-W270 WeakPolarHBondContact O-CH2 3.36Å; C49-W270 WeakPolarHBondContact O-CZ3 3.36Å; T50-W270 VanDerWaalsContact CA-CZ3 3.45Å; T50-W270 HydrophobicContact CG2-CZ3 4.48Å; T50-W270 WeakPolarHBondContact O-CH2 3.47Å; T50-W270 VanDerWaalsContact O-CZ2 3.32Å; T50-W270 WeakPolarHBondContact O-CZ2 3.44Å; Q51-W270 VanDerWaalsContact C-CH2 3.45Å; Q51-W270 WeakPolarHBondContact O-CZ2 3.02Å; S52-W270 VanDerWaalsContact C-CE2 3.49Å; S52-W270 VanDerWaalsContact O-CH2 3.25Å; S52-W270 WeakPolarHBondContact O-CH2 3.18Å; S52-W270 WeakPolarHBondContact O-CZ3 3.06Å; R53-W270 HydrophobicContact CB-CB 4.01Å; R53-W270 HydrophobicContact CB-CD2 4.36Å; R53-W270 HydrophobicContact CB-CG 3.78Å; R53-W270 HydrophobicContact CG-CB 4.03Å; R53-W270 HydrophobicContact CG-CG 4.35Å; W56-W270 HydrophobicContact CB-CD2 4.48Å; W56-W270 HydrophobicContact CB-CE3 3.43Å; W56-W270 VanDerWaalsContact CB-CE3 3.43Å; W56-W270 HydrophobicContact CB-CZ3 3.5Å; W56-W270 VanDerWaalsContact CB-CZ3 3.5Å; W56-W270 HydrophobicContact CD2-CE3 4.34Å; W56-W270 HydrophobicContact CE3-CB 3.96Å; W56-W270 AromaticContact CG-CE3 3.86Å; W56-W270 HydrophobicContact CG-CE3 3.86Å; W56-W270 HydrophobicContact CG-CZ3 4.21Å; W56-W270 HydrophobicContact CZ3-CB 4.26Å; D268-W270 PolarHBondContact O-N 3.3Å; D268-W270 VanDerWaalsContact O-N 3.08Å; W270-F272 PolarHBondContact O-N 3.07Å; W270-I273 HydrophobicContact CD2-CG2 4.47Å; W270-I273 HydrophobicContact CE3-CG2 3.39Å; W270-I273 HydrophobicContact CZ3-CG2 3.66Å; W270-I273 WeakPolarHBondContact O-CG2 3.29Å; W270-I273 PolarHBondContact O-N 3.03Å; W270-K274 HydrophobicContact CZ2-CB 4.23Å; W270-K274 HydrophobicContact CZ2-CD 4.04Å; W270-K274 PolarHBondContact O-N 2.85Å; W270-K274 VanDerWaalsContact O-N 3.09Å
271T88.2Confident87.6Confident30 Ų3062.9 Ų62.918%0.18429%0.287CS..Hα-helixtrans-62.7-26.1-180520000113.6D268 R269 K274 R275D268-T271 VanDerWaalsContact CG-CG2 3.41Å; D268-T271 PolarHBondContact O-N 2.97Å; D268-T271 PolarHBondContact O-OG1 3.41Å; D268-T271 WeakPolarHBondContact OD2-CG2 3.39Å; R269-T271 PolarHBondContact O-N 3.33Å; T271-K274 PolarHBondContact O-N 3.44Å; T271-R275 WeakPolarHBondContact O-CB 3.14Å; T271-R275 VanDerWaalsContact O-CG 3.24Å; T271-R275 WeakPolarHBondContact O-CG 3.49Å; T271-R275 PolarHBondContact O-N 2.87Å
272F88.5Confident88.3Confident25 Ų2566.7 Ų66.711%0.1130%0.3CS..Hα-helixtrans-68.2-45.6175.2-79.9-86.9000111.7Y205 P237 H265 R269 W270 K274 R275 L276Y205-F272 AromaticContact CD1-CD1 3.46Å; Y205-F272 HydrophobicContact CD1-CD1 3.46Å; Y205-F272 VanDerWaalsContact CD1-CD1 3.46Å; Y205-F272 HydrophobicContact CD1-CD2 4.38Å; Y205-F272 AromaticContact CD1-CE1 3.62Å; Y205-F272 HydrophobicContact CD1-CE1 3.62Å; Y205-F272 AromaticContact CD1-CG 3.87Å; Y205-F272 HydrophobicContact CD1-CG 3.87Å; Y205-F272 HydrophobicContact CD1-CZ 4.21Å; Y205-F272 HydrophobicContact CE1-CB 4.32Å; Y205-F272 AromaticContact CE1-CD1 3.75Å; Y205-F272 HydrophobicContact CE1-CD1 3.75Å; Y205-F272 AromaticContact CE1-CD2 3.9Å; Y205-F272 HydrophobicContact CE1-CD2 3.9Å; Y205-F272 HydrophobicContact CE1-CE1 4.12Å; Y205-F272 HydrophobicContact CE1-CE2 4.32Å; Y205-F272 AromaticContact CE1-CG 3.63Å; Y205-F272 HydrophobicContact CE1-CG 3.63Å; Y205-F272 HydrophobicContact CE1-CZ 4.4Å; P237-F272 HydrophobicContact CG-CB 4.28Å; H265-F272 HydrophobicContact CB-CD2 3.93Å; H265-F272 HydrophobicContact CB-CE2 3.35Å; H265-F272 HydrophobicContact CB-CZ 4.21Å; H265-F272 AromaticContact CD2-CE2 3.27Å; H265-F272 WeakPolarHBondContact CD2-CE2 3.46Å; H265-F272 AromaticContact CD2-CZ 3.15Å; H265-F272 WeakPolarHBondContact CD2-CZ 3.25Å; H265-F272 AromaticContact CE1-CE2 3.7Å; H265-F272 AromaticContact CE1-CZ 3.54Å; H265-F272 AromaticContact CG-CE2 3Å; H265-F272 AromaticContact CG-CZ 3.43Å; H265-F272 VanDerWaalsContact CG-CZ 3.43Å; H265-F272 AromaticContact ND1-CE2 3.31Å; H265-F272 VanDerWaalsContact ND1-CE2 3.31Å; H265-F272 WeakPolarHBondContact ND1-CE2 3.12Å; H265-F272 AromaticContact ND1-CZ 3.66Å; H265-F272 AromaticContact NE2-CE2 3.75Å; H265-F272 AromaticContact NE2-CZ 3.28Å; H265-F272 VanDerWaalsContact NE2-CZ 3.28Å; H265-F272 WeakPolarHBondContact NE2-CZ 3.14Å; R269-F272 WeakPolarHBondContact O-CB 3.39Å; R269-F272 PolarHBondContact O-N 3.23Å; W270-F272 PolarHBondContact O-N 3.07Å; F272-K274 VanDerWaalsContact C-N 3.26Å; F272-K274 PolarHBondContact O-N 2.77Å; F272-R275 PolarHBondContact O-N 2.03Å; F272-L276 WeakPolarHBondContact O-CB 3.44Å; F272-L276 PolarHBondContact O-N 3.07Å
273I93.1Very high88.9Confident2 Ų270 Ų701%0.0132%0.316CS..Hα-helixtrans-67.4-34178.8-16559.8000111F46 T50 W56 I236 W270 L276 A277F46-I273 HydrophobicContact CE2-CD1 3.71Å; F46-I273 HydrophobicContact CE2-CG1 3.88Å; F46-I273 HydrophobicContact CZ-CD1 3.53Å; F46-I273 HydrophobicContact CZ-CG1 3.9Å; T50-I273 HydrophobicContact CG2-CG1 3.89Å; T50-I273 HydrophobicContact CG2-CG2 4.36Å; W56-I273 HydrophobicContact CD2-CG2 4.42Å; W56-I273 HydrophobicContact CG-CG2 4Å; I236-I273 HydrophobicContact CB-CD1 4.06Å; I236-I273 HydrophobicContact CG2-CD1 3.56Å; W270-I273 HydrophobicContact CD2-CG2 4.47Å; W270-I273 HydrophobicContact CE3-CG2 3.39Å; W270-I273 HydrophobicContact CZ3-CG2 3.66Å; W270-I273 WeakPolarHBondContact O-CG2 3.29Å; W270-I273 PolarHBondContact O-N 3.03Å; I273-L276 HydrophobicContact CD1-CD2 4.07Å; I273-A277 WeakPolarHBondContact O-CB 3.49Å; I273-A277 PolarHBondContact O-N 2.98Å
274K94.2Very high89.5Confident93 Ų9365.9 Ų65.940%0.40430%0.303SS..Hα-helixtrans-64-47.4172.2-175.3171.4-179.11700112W270 T271 F272 A277 M278W270-K274 HydrophobicContact CZ2-CB 4.23Å; W270-K274 HydrophobicContact CZ2-CD 4.04Å; W270-K274 PolarHBondContact O-N 2.85Å; W270-K274 VanDerWaalsContact O-N 3.09Å; T271-K274 PolarHBondContact O-N 3.44Å; F272-K274 VanDerWaalsContact C-N 3.26Å; F272-K274 PolarHBondContact O-N 2.77Å; K274-A277 PolarHBondContact O-N 3.45Å; K274-M278 HydrophobicContact CG-SD 4.31Å; K274-M278 VanDerWaalsContact O-CG 3.32Å; K274-M278 WeakPolarHBondContact O-CG 3.09Å; K274-M278 PolarHBondContact O-N 3.17Å
275R94.2Very high90.2Very high150 Ų15058.9 Ų58.957%0.56627%0.273SS*.Hα-helixtrans-63.3-42.5176.4-74.6173.8-171.9-174.71.9112T271 F272 A277 M278 E279T271-R275 WeakPolarHBondContact O-CB 3.14Å; T271-R275 VanDerWaalsContact O-CG 3.24Å; T271-R275 WeakPolarHBondContact O-CG 3.49Å; T271-R275 PolarHBondContact O-N 2.87Å; F272-R275 PolarHBondContact O-N 2.03Å; R275-A277 VanDerWaalsContact C-N 3.31Å; R275-A277 PolarHBondContact O-N 2.88Å; R275-M278 PolarHBondContact O-N 3.1Å; R275-E279 WeakPolarHBondContact O-CB 3.23Å; R275-E279 PolarHBondContact O-N 3.06Å
276L95.7Very high91.2Very high2 Ų257.1 Ų57.11%0.0127%0.265CS..Hα-helixtrans-63-38.4176.8-177.263.5000111.4V234 F272 I273 E279 A280 I286 I288V234-L276 HydrophobicContact CG2-CD1 4.29Å; V234-L276 HydrophobicContact CG2-CD2 3.89Å; F272-L276 WeakPolarHBondContact O-CB 3.44Å; F272-L276 PolarHBondContact O-N 3.07Å; I273-L276 HydrophobicContact CD1-CD2 4.07Å; L276-E279 PolarHBondContact O-N 3.44Å; L276-A280 VanDerWaalsContact O-CB 3.28Å; L276-A280 WeakPolarHBondContact O-CB 3.21Å; L276-A280 PolarHBondContact O-N 3.13Å; L276-I286 HydrophobicContact CD1-CD1 3.97Å; L276-I286 HydrophobicContact CD1-CG2 4.32Å; L276-I288 HydrophobicContact CD2-CD1 4.05Å; L276-I288 HydrophobicContact CD2-CG1 4.47Å; L276-I288 HydrophobicContact CG-CD1 3.9Å
277A96.4Very high92.4Very high7 Ų753.1 Ų53.16%0.05824%0.243CC..Hα-helixtrans-64.6-4617300000112F46 T50 I273 K274 R275 E279 A280 D281F46-A277 HydrophobicContact CD1-CB 4.37Å; F46-A277 HydrophobicContact CE1-CB 3.65Å; F46-A277 HydrophobicContact CZ-CB 4.29Å; T50-A277 HydrophobicContact CG2-CB 3.9Å; I273-A277 WeakPolarHBondContact O-CB 3.49Å; I273-A277 PolarHBondContact O-N 2.98Å; K274-A277 PolarHBondContact O-N 3.45Å; R275-A277 VanDerWaalsContact C-N 3.31Å; R275-A277 PolarHBondContact O-N 2.88Å; A277-E279 VanDerWaalsContact C-N 3.33Å; A277-E279 PolarHBondContact O-N 2.92Å; A277-A280 PolarHBondContact O-N 3.01Å; A277-D281 PolarHBondContact O-N 3.36Å
278M96.8Very high93.7Very high120 Ų12044 Ų4459%0.59120%0.204SC*.Hα-helixtrans-61.1-41.5175.5-67.1171.168.700112.1K274 R275 D281 F282K274-M278 HydrophobicContact CG-SD 4.31Å; K274-M278 VanDerWaalsContact O-CG 3.32Å; K274-M278 WeakPolarHBondContact O-CG 3.09Å; K274-M278 PolarHBondContact O-N 3.17Å; R275-M278 PolarHBondContact O-N 3.1Å; M278-D281 PolarHBondContact O-N 2.96Å; M278-F282 WeakPolarHBondContact O-CB 3.48Å; M278-F282 PolarHBondContact O-N 2.86Å
279E97.3Very high94.7Very high26 Ų2640.9 Ų40.912%0.12119%0.187CC..Hα-helixtrans-62.9-45.8175.5-172.3-167.2159.600111.2R210 R214 R275 L276 A277 D281 F282 H283 I286R210-E279 WeakPolarHBondContact CD-OE1 3.47Å; R210-E279 IonicContact CZ-OE1 2.86Å; R210-E279 IonicContact CZ-OE2 2.97Å; R210-E279 IonicContact NE-OE1 3.7Å; R210-E279 PolarHBondContact NE-OE1 2.89Å; R210-E279 IonicContact NE-OE2 3.92Å; R210-E279 PolarHBondContact NE-OE2 3.38Å; R210-E279 IonicContact NH2-OE1 2.9Å; R210-E279 IonicContact NH2-OE2 3.6Å; R210-E279 PolarHBondContact NH2-OE2 3.28Å; R214-E279 IonicContact CZ-OE1 3.6Å; R214-E279 VanDerWaalsContact CZ-OE1 3.28Å; R214-E279 IonicContact NH1-OE1 3.24Å; R214-E279 PolarHBondContact NH1-OE1 3.07Å; R214-E279 IonicContact NH2-OE1 3.73Å; R214-E279 PolarHBondContact NH2-OE1 2.02Å; R275-E279 WeakPolarHBondContact O-CB 3.23Å; R275-E279 PolarHBondContact O-N 3.06Å; L276-E279 PolarHBondContact O-N 3.44Å; A277-E279 VanDerWaalsContact C-N 3.33Å; A277-E279 PolarHBondContact O-N 2.92Å; E279-D281 VanDerWaalsContact C-N 3.27Å; E279-D281 PolarHBondContact O-N 2.69Å; E279-F282 PolarHBondContact O-N 3.33Å; E279-H283 PolarHBondContact O-N 3.1Å; E279-I286 HydrophobicContact CB-CD1 4.2Å; E279-I286 HydrophobicContact CG-CD1 3.8Å
280A96.6Very high95.2Very high0 Ų041 Ų410%019%0.189CC..Hα-helixtrans-63.7-32.3177.200000112.4R179 L276 A277 E284 I286 I288R179-A280 HydrophobicContact CG-CB 4.15Å; L276-A280 VanDerWaalsContact O-CB 3.28Å; L276-A280 WeakPolarHBondContact O-CB 3.21Å; L276-A280 PolarHBondContact O-N 3.13Å; A277-A280 PolarHBondContact O-N 3.01Å; A280-E284 WeakPolarHBondContact O-CA 3.29Å; A280-E284 PolarHBondContact O-N 2.89Å; A280-I286 HydrophobicContact CB-CB 3.88Å; A280-I286 HydrophobicContact CB-CD1 4.09Å; A280-I286 HydrophobicContact CB-CG1 4.22Å; A280-I288 HydrophobicContact CB-CD1 4.32Å
281D95.2Very high95.6Very high69 Ų6940.7 Ų40.737%0.36919%0.188SC..Hα-helixtrans-74.7-34.4175.1-73.1-18.2000112.5R179 A277 M278 E279R179-D281 IonicContact CZ-OD1 2.84Å; R179-D281 IonicContact NE-OD1 3.4Å; R179-D281 PolarHBondContact NE-OD1 3.4Å; R179-D281 IonicContact NH2-OD1 2.67Å; R179-D281 PolarHBondContact NH2-OD1 3.21Å; A277-D281 PolarHBondContact O-N 3.36Å; M278-D281 PolarHBondContact O-N 2.96Å; E279-D281 VanDerWaalsContact C-N 3.27Å; E279-D281 PolarHBondContact O-N 2.69Å
282F96.7Very high95.9Very high163 Ų16340.3 Ų40.372%0.71518%0.184SC*.Hα-helixtrans-77.9-45.3179.1-177-100.7000113.1M278 E279M278-F282 WeakPolarHBondContact O-CB 3.48Å; M278-F282 PolarHBondContact O-N 2.86Å; E279-F282 PolarHBondContact O-N 3.33Å
283H96.8Very high96.2Very high69 Ų6939.4 Ų39.432%0.31918%0.181SC..Hα-helixtrans-94.5-20.2-175.9-69.7-67.6000114.2E279 D285E279-H283 PolarHBondContact O-N 3.1Å; H283-D285 VanDerWaalsContact CB-OD1 3.3Å; H283-D285 WeakPolarHBondContact CB-OD1 2.96Å; H283-D285 PolarHBondContact O-N 2.8Å
284E95.6Very high96.3Very high58 Ų5839.6 Ų39.627%0.27118%0.181SC..  trans61.910.1176.1-56.8-175.7159.100115.4P181 K182 A280P181-E284 CarbonylContact C-O 3.48Å; P181-E284 VanDerWaalsContact CA-O 3.31Å; P181-E284 WeakPolarHBondContact CA-O 3.05Å; P181-E284 WeakPolarHBondContact CB-O 3.41Å; K182-E284 HydrophobicContact CB-CB 3.75Å; K182-E284 HydrophobicContact CB-CG 4.06Å; K182-E284 HydrophobicContact CD-CG 4Å; K182-E284 WeakPolarHBondContact CD-OE1 3.26Å; K182-E284 WeakPolarHBondContact CD-OE2 3.39Å; K182-E284 WeakPolarHBondContact CE-OE1 3.5Å; K182-E284 PolarHBondContact N-O 3.48Å; K182-E284 IonicContact NZ-OE1 3.61Å; K182-E284 PolarHBondContact NZ-OE1 3.41Å; A280-E284 WeakPolarHBondContact O-CA 3.29Å; A280-E284 PolarHBondContact O-N 2.89Å
285D97Very high96.2Very high15 Ų1538.6 Ų38.68%0.0818%0.176CC..  trans-110.515.4-17064.14000114.1R214 V231 F232 H283R214-D285 IonicContact CZ-OD1 2.77Å; R214-D285 IonicContact CZ-OD2 3.43Å; R214-D285 IonicContact NE-OD1 3.51Å; R214-D285 IonicContact NE-OD2 3.46Å; R214-D285 PolarHBondContact NE-OD2 3.28Å; R214-D285 IonicContact NH2-OD1 2.73Å; R214-D285 PolarHBondContact NH2-OD1 2.9Å; R214-D285 IonicContact NH2-OD2 2.89Å; R214-D285 PolarHBondContact NH2-OD2 3.46Å; V231-D285 CarbonylContact C-O 3.52Å; V231-D285 WeakPolarHBondContact CA-O 3.2Å; F232-D285 WeakPolarHBondContact CE2-OD2 3.33Å; F232-D285 PolarHBondContact N-O 2.98Å; H283-D285 VanDerWaalsContact CB-OD1 3.3Å; H283-D285 WeakPolarHBondContact CB-OD1 2.96Å; H283-D285 PolarHBondContact O-N 2.8Å
286I98.3Very high96.3Very high1 Ų131.5 Ų31.51%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-115.3123.6-174-47.8-173.9000111.9F232 V234 L276 E279 A280 I288F232-I286 HydrophobicContact CB-CG1 4.48Å; F232-I286 HydrophobicContact CD2-CG1 4.48Å; V234-I286 HydrophobicContact CG2-CG2 3.55Å; L276-I286 HydrophobicContact CD1-CD1 3.97Å; L276-I286 HydrophobicContact CD1-CG2 4.32Å; E279-I286 HydrophobicContact CB-CD1 4.2Å; E279-I286 HydrophobicContact CG-CD1 3.8Å; A280-I286 HydrophobicContact CB-CB 3.88Å; A280-I286 HydrophobicContact CB-CD1 4.09Å; A280-I286 HydrophobicContact CB-CG1 4.22Å; I286-I288 HydrophobicContact CG2-CD1 4.32Å; I286-I288 HydrophobicContact CG2-CG1 3.72Å
287L98.5Very high96.4Very high0 Ų033.7 Ų33.70%016%0.161CC..EExtended strand (participates in β ladder)trans-96.1117.6167.6-177.872.4000109.7L180 V231 F232 V233 V234 F304 W308L180-L287 HydrophobicContact CD2-CD1 3.8Å; V231-L287 HydrophobicContact CG2-CB 3.8Å; F232-L287 PolarHBondContact O-N 2.89Å; V233-L287 HydrophobicContact CG1-CD2 4.25Å; V233-L287 HydrophobicContact CG2-CB 4.39Å; V233-L287 HydrophobicContact CG2-CD2 4.05Å; V234-L287 PolarHBondContact N-O 2.92Å; L287-F304 HydrophobicContact CD1-CE1 4.31Å; L287-F304 HydrophobicContact CD1-CZ 3.86Å; L287-F304 HydrophobicContact CD2-CD1 4.07Å; L287-F304 HydrophobicContact CD2-CE1 3.39Å; L287-F304 HydrophobicContact CD2-CZ 3.72Å; L287-F304 HydrophobicContact CG-CE1 3.46Å; L287-F304 VanDerWaalsContact CG-CE1 3.46Å; L287-F304 HydrophobicContact CG-CZ 3.53Å; L287-W308 HydrophobicContact CD1-CD2 4.1Å; L287-W308 HydrophobicContact CD1-CG 4.02Å; L287-W308 HydrophobicContact CD2-CB 4.08Å; L287-W308 HydrophobicContact CD2-CD2 3.5Å; L287-W308 HydrophobicContact CD2-CE3 3.52Å; L287-W308 HydrophobicContact CD2-CG 3.73Å; L287-W308 HydrophobicContact CD2-CZ3 4.14Å; L287-W308 HydrophobicContact CG-CD2 4.41Å
288I98.3Very high96.4Very high0 Ų034.3 Ų34.30%016%0.163CC..EExtended strand (participates in β ladder)trans-111.1116.8-177.2-51177.9000110.1F46 A177 L178 R179 V234 I236 L276 A280 I286F46-I288 HydrophobicContact CE1-CD1 3.57Å; F46-I288 HydrophobicContact CE2-CG2 4.41Å; F46-I288 HydrophobicContact CZ-CD1 3.6Å; F46-I288 HydrophobicContact CZ-CG2 4.23Å; A177-I288 CarbonylContact C-O 3.58Å; L178-I288 HydrophobicContact CB-CG2 4.4Å; L178-I288 PolarHBondContact N-O 3.34Å; R179-I288 HydrophobicContact CB-CB 3.81Å; R179-I288 HydrophobicContact CB-CD1 3.76Å; R179-I288 HydrophobicContact CB-CG1 3.76Å; R179-I288 HydrophobicContact CG-CD1 4.2Å; R179-I288 HydrophobicContact CG-CG1 4.35Å; R179-I288 PolarHBondContact N-O 2.84Å; R179-I288 PolarHBondContact O-N 3.39Å; V234-I288 HydrophobicContact CG2-CB 4.18Å; V234-I288 HydrophobicContact CG2-CG1 3.65Å; V234-I288 HydrophobicContact CG2-CG2 4.28Å; V234-I288 WeakPolarHBondContact O-CA 3.4Å; I236-I288 HydrophobicContact CG2-CG2 3.58Å; L276-I288 HydrophobicContact CD2-CD1 4.05Å; L276-I288 HydrophobicContact CD2-CG1 4.47Å; L276-I288 HydrophobicContact CG-CD1 3.9Å; A280-I288 HydrophobicContact CB-CD1 4.32Å; I286-I288 HydrophobicContact CG2-CD1 4.32Å; I286-I288 HydrophobicContact CG2-CG1 3.72Å
289G98.2Very high96.5Very high0 Ų028.6 Ų28.60%014%0.135CC..EExtended strand (participates in β ladder)trans-93.5151.8175.700000113.5L176 V234 F291 F304L176-G289 CarbonylContact O-C 3.43Å; L176-G289 WeakPolarHBondContact O-CA 3.23Å; V234-G289 PolarHBondContact O-N 2.86Å; G289-F291 PolarHBondContact O-N 3.42Å; G289-F304 VanDerWaalsContact CA-CZ 3.41Å
290S96.3Very high96.5Very high10 Ų1028.7 Ų28.77%0.0714%0.137CC..EExtended strand (participates in β ladder)trans-80.930.4-177.872.40000115.4L176L176-S290 WeakPolarHBondContact CB-OG 3.48Å; L176-S290 PolarHBondContact N-OG 3.45Å; L176-S290 VanDerWaalsContact N-OG 3.11Å; L176-S290 PolarHBondContact O-N 2.82Å; L176-S290 PolarHBondContact O-OG 3.26Å
291F95.8Very high96.6Very high15 Ų1529.1 Ų29.17%0.06614%0.139CC..EExtended strand (participates in β ladder)trans-114.1154.1179.551.5-96.7000111I175 I236 G289 D293 T300 K301 F304I175-F291 HydrophobicContact CG2-CD1 4.32Å; I236-F291 PolarHBondContact N-O 2.99Å; G289-F291 PolarHBondContact O-N 3.42Å; F291-D293 PolarHBondContact O-N 3.14Å; F291-T300 HydrophobicContact CB-CG2 3.99Å; F291-T300 HydrophobicContact CD1-CG2 3.91Å; F291-T300 HydrophobicContact CG-CG2 3.94Å; F291-K301 HydrophobicContact CE2-CB 3.8Å; F291-K301 HydrophobicContact CE2-CG 4.16Å; F291-K301 HydrophobicContact CZ-CB 3.73Å; F291-K301 HydrophobicContact CZ-CG 3.86Å; F291-F304 HydrophobicContact CE1-CB 3.75Å; F291-F304 AromaticContact CE1-CD1 3.62Å; F291-F304 HydrophobicContact CE1-CD1 3.62Å; F291-F304 HydrophobicContact CE1-CD2 4.34Å; F291-F304 HydrophobicContact CE1-CE1 4.24Å; F291-F304 AromaticContact CE1-CG 3.66Å; F291-F304 HydrophobicContact CE1-CG 3.66Å; F291-F304 HydrophobicContact CZ-CB 4.46Å; F291-F304 AromaticContact CZ-CD1 3.95Å; F291-F304 HydrophobicContact CZ-CD1 3.95Å; F291-F304 HydrophobicContact CZ-CG 4.39Å
292H94.8Very high96.8Very high22 Ų2226.3 Ų26.310%0.10212%0.124CC..EExtended strand (participates in β ladder)trans-64.7118.6176.9-175.4-164.6000110.2I236 Y238 E241 T294 N297I236-H292 WeakPolarHBondContact O-CA 3.34Å; Y238-H292 HydrophobicContact CD1-CB 3.98Å; Y238-H292 HydrophobicContact CD2-CB 3.61Å; Y238-H292 AromaticContact CD2-CD2 3.8Å; Y238-H292 AromaticContact CD2-CG 3.77Å; Y238-H292 HydrophobicContact CE1-CB 3.99Å; Y238-H292 HydrophobicContact CE2-CB 3.64Å; Y238-H292 HydrophobicContact CG-CB 3.8Å; Y238-H292 AromaticContact CG-CD2 3.81Å; Y238-H292 AromaticContact CG-CG 3.64Å; E241-H292 IonicContact OE1-CD2 3.82Å; E241-H292 IonicContact OE1-CE1 3.82Å; E241-H292 IonicContact OE1-NE2 2.77Å; E241-H292 PolarHBondContact OE1-NE2 2.91Å; H292-T294 WeakPolarHBondContact CE1-CG2 3.31Å; H292-T294 WeakPolarHBondContact ND1-CG2 3.49Å; H292-T294 VanDerWaalsContact NE2-CG2 3.31Å; H292-T294 WeakPolarHBondContact NE2-CG2 3.04Å; H292-T294 PolarHBondContact O-N 3.43Å; H292-N297 WeakPolarHBondContact O-CB 3.41Å; H292-N297 PolarHBondContact O-ND2 3.25Å
293D94.7Very high96.9Very high6 Ų618.7 Ų18.73%0.0329%0.091CC..  trans-74.984.4-176.5-155.2-6.9000112.3C203 S204 G235 I236 F291 K301C203-D293 VanDerWaalsContact CA-OD2 3.29Å; C203-D293 WeakPolarHBondContact CA-OD2 3.47Å; S204-D293 PolarHBondContact N-OD2 2.93Å; G235-D293 VanDerWaalsContact N-CG 3.33Å; G235-D293 PolarHBondContact N-OD2 2.72Å; I236-D293 PolarHBondContact O-N 2.81Å; F291-D293 PolarHBondContact O-N 3.14Å; D293-K301 WeakPolarHBondContact OD1-CE 3.34Å; D293-K301 IonicContact OD1-NZ 3.39Å; D293-K301 PolarHBondContact OD1-NZ 2.92Å; D293-K301 IonicContact OD2-NZ 3.91Å
294T94Very high97Very high5 Ų515.4 Ų15.43%0.0318%0.076CC..SBendtrans-134.4161.3179.768.10000111.1F245 W258 H292 F296 N297F245-T294 HydrophobicContact CZ-CG2 4.08Å; W258-T294 HydrophobicContact CZ2-CG2 4.31Å; H292-T294 WeakPolarHBondContact CE1-CG2 3.31Å; H292-T294 WeakPolarHBondContact ND1-CG2 3.49Å; H292-T294 VanDerWaalsContact NE2-CG2 3.31Å; H292-T294 WeakPolarHBondContact NE2-CG2 3.04Å; H292-T294 PolarHBondContact O-N 3.43Å; T294-F296 PolarHBondContact O-N 3.27Å; T294-N297 PolarHBondContact O-N 2.89Å
295Y94.1Very high97.1Very high72 Ų7213 Ų1328%0.2827%0.065SC..G310 helixtrans-53.5-35.9174.8-175-96.7000113L254 N297 L298 I372 W373L254-Y295 HydrophobicContact CD2-CD1 4.07Å; L254-Y295 HydrophobicContact CD2-CG 4.18Å; Y295-N297 VanDerWaalsContact C-N 3.26Å; Y295-N297 PolarHBondContact O-N 3Å; Y295-L298 HydrophobicContact CD2-CD1 3.66Å; Y295-L298 HydrophobicContact CE2-CD1 3.76Å; Y295-L298 HydrophobicContact CG-CD1 4.3Å; Y295-L298 WeakPolarHBondContact O-CD1 3.25Å; Y295-L298 WeakPolarHBondContact O-CG 3.47Å; Y295-L298 PolarHBondContact O-N 3.45Å; Y295-I372 HydrophobicContact CD1-CB 4.46Å; Y295-I372 HydrophobicContact CD1-CD1 4.44Å; Y295-I372 HydrophobicContact CE1-CB 4.18Å; Y295-I372 HydrophobicContact CE1-CD1 3.99Å; Y295-I372 HydrophobicContact CE1-CG1 4.26Å; Y295-W373 PolarHBondContact OH-NE1 2.86Å; Y295-W373 VanDerWaalsContact OH-NE1 3.07Å
296F95.7Very high97.2Very high2 Ų212.3 Ų12.31%0.0096%0.061CC..G310 helixtrans-78.1-8.5-179.3-65.1-55.7000114.2F245 F247 F252 L254 T294 I372 R415F245-F296 HydrophobicContact CB-CD2 4.03Å; F245-F296 HydrophobicContact CB-CE2 3.79Å; F245-F296 AromaticContact CD1-CD2 3.8Å; F245-F296 HydrophobicContact CD1-CD2 3.8Å; F245-F296 HydrophobicContact CD1-CE2 4.32Å; F245-F296 AromaticContact CD2-CD2 3.75Å; F245-F296 HydrophobicContact CD2-CD2 3.75Å; F245-F296 AromaticContact CD2-CE2 3.54Å; F245-F296 HydrophobicContact CD2-CE2 3.54Å; F245-F296 HydrophobicContact CE1-CD2 4.17Å; F245-F296 HydrophobicContact CE2-CD2 4.13Å; F245-F296 HydrophobicContact CE2-CE2 4.19Å; F245-F296 AromaticContact CG-CD2 3.58Å; F245-F296 HydrophobicContact CG-CD2 3.58Å; F245-F296 AromaticContact CG-CE2 3.63Å; F245-F296 HydrophobicContact CG-CE2 3.63Å; F245-F296 HydrophobicContact CZ-CD2 4.33Å; F247-F296 HydrophobicContact CE2-CB 4.42Å; F247-F296 HydrophobicContact CE2-CD1 4.11Å; F247-F296 AromaticContact CE2-CD2 3.8Å; F247-F296 HydrophobicContact CE2-CD2 3.8Å; F247-F296 HydrophobicContact CE2-CE1 4.34Å; F247-F296 HydrophobicContact CE2-CE2 4.03Å; F247-F296 AromaticContact CE2-CG 3.84Å; F247-F296 HydrophobicContact CE2-CG 3.84Å; F247-F296 HydrophobicContact CE2-CZ 4.31Å; F247-F296 HydrophobicContact CZ-CB 3.87Å; F247-F296 HydrophobicContact CZ-CD1 4.35Å; F247-F296 AromaticContact CZ-CD2 3.96Å; F247-F296 HydrophobicContact CZ-CD2 3.96Å; F247-F296 AromaticContact CZ-CG 3.8Å; F247-F296 HydrophobicContact CZ-CG 3.8Å; F252-F296 HydrophobicContact CB-CE2 4.13Å; F252-F296 HydrophobicContact CB-CZ 3.68Å; F252-F296 HydrophobicContact CD1-CE1 4.36Å; F252-F296 HydrophobicContact CD1-CZ 4.2Å; F252-F296 HydrophobicContact CG-CZ 4.19Å; L254-F296 HydrophobicContact CD1-CE2 4.43Å; L254-F296 HydrophobicContact CD2-CD2 4.02Å; L254-F296 HydrophobicContact CD2-CE1 4.43Å; L254-F296 HydrophobicContact CD2-CE2 3.41Å; L254-F296 VanDerWaalsContact CD2-CE2 3.41Å; L254-F296 HydrophobicContact CD2-CZ 3.64Å; L254-F296 HydrophobicContact CG-CD2 4.38Å; L254-F296 HydrophobicContact CG-CE2 3.84Å; L254-F296 HydrophobicContact CG-CZ 4.48Å; T294-F296 PolarHBondContact O-N 3.27Å; F296-I372 HydrophobicContact CE1-CB 4.37Å; F296-I372 HydrophobicContact CZ-CB 4.32Å; F296-I372 HydrophobicContact CZ-CG2 4.23Å; F296-R415 HydrophobicContact CB-CG 4.45Å; F296-R415 HydrophobicContact CD1-CB 4.38Å; F296-R415 WeakPolarHBondContact O-CG 3.32Å
297N96.8Very high97.2Very high47 Ų4712.2 Ų12.225%0.2516%0.061SC..G310 helixtrans-10614.3176.1-72.8-29.1000112.9H292 T294 Y295 S299 T300 K301H292-N297 WeakPolarHBondContact O-CB 3.41Å; H292-N297 PolarHBondContact O-ND2 3.25Å; T294-N297 PolarHBondContact O-N 2.89Å; Y295-N297 VanDerWaalsContact C-N 3.26Å; Y295-N297 PolarHBondContact O-N 3Å; N297-S299 VanDerWaalsContact C-N 3.3Å; N297-S299 PolarHBondContact O-N 3.46Å; N297-T300 WeakPolarHBondContact O-CB 2.9Å; N297-T300 PolarHBondContact O-N 2.89Å; N297-T300 VanDerWaalsContact O-N 3.08Å; N297-K301 PolarHBondContact O-N 3.05Å
298L97.8Very high97.2Very high20 Ų2012.2 Ų12.211%0.1056%0.061CC..Hα-helixtrans-60.5-37.4178.8-71.1176.1000112.7K201 Y295 T300 K301 L302 D417K201-L298 HydrophobicContact CD-CD2 4.23Å; Y295-L298 HydrophobicContact CD2-CD1 3.66Å; Y295-L298 HydrophobicContact CE2-CD1 3.76Å; Y295-L298 HydrophobicContact CG-CD1 4.3Å; Y295-L298 WeakPolarHBondContact O-CD1 3.25Å; Y295-L298 WeakPolarHBondContact O-CG 3.47Å; Y295-L298 PolarHBondContact O-N 3.45Å; L298-T300 VanDerWaalsContact C-N 3.3Å; L298-T300 PolarHBondContact O-N 3.32Å; L298-K301 CarbonylContact O-C 3.56Å; L298-K301 WeakPolarHBondContact O-CB 3.47Å; L298-K301 PolarHBondContact O-N 2.93Å; L298-L302 PolarHBondContact O-N 2.8Å; L298-D417 HydrophobicContact CB-CB 3.88Å
299S98.1Very high97.2Very high0 Ų012.4 Ų12.40%06%0.062CC..Hα-helixtrans-66.2-32.7175.2-680000112.6N297 L302 V303 H413 I414 R415 D417N297-S299 VanDerWaalsContact C-N 3.3Å; N297-S299 PolarHBondContact O-N 3.46Å; S299-L302 WeakPolarHBondContact O-CB 3.24Å; S299-L302 PolarHBondContact O-N 3.17Å; S299-V303 WeakPolarHBondContact O-CG2 3.22Å; S299-V303 PolarHBondContact O-N 3.25Å; S299-H413 VanDerWaalsContact CB-CE1 3.44Å; S299-H413 WeakPolarHBondContact CB-CE1 3.4Å; S299-I414 WeakPolarHBondContact CB-O 3.36Å; S299-I414 PolarHBondContact OG-O 3.49Å; S299-R415 PolarHBondContact OG-O 2.81Å; S299-D417 WeakPolarHBondContact OG-CA 3.12Å; S299-D417 PolarHBondContact OG-N 3.42Å
300T98.2Very high97.2Very high29 Ų2912.6 Ų12.618%0.1786%0.063CC..Hα-helixtrans-67.2-42.4172.8-58.30000110.4F291 N297 L298 L302 V303 F304 H413F291-T300 HydrophobicContact CB-CG2 3.99Å; F291-T300 HydrophobicContact CD1-CG2 3.91Å; F291-T300 HydrophobicContact CG-CG2 3.94Å; N297-T300 WeakPolarHBondContact O-CB 2.9Å; N297-T300 PolarHBondContact O-N 2.89Å; N297-T300 VanDerWaalsContact O-N 3.08Å; L298-T300 VanDerWaalsContact C-N 3.3Å; L298-T300 PolarHBondContact O-N 3.32Å; T300-L302 VanDerWaalsContact C-N 3.33Å; T300-L302 PolarHBondContact O-N 3Å; T300-V303 PolarHBondContact O-N 3.37Å; T300-F304 VanDerWaalsContact O-CB 3.29Å; T300-F304 WeakPolarHBondContact O-CB 3.43Å; T300-F304 PolarHBondContact O-N 2.99Å; T300-H413 PolarHBondContact OG1-CE1 3.35Å
301K98.7Very high97.2Very high8 Ų812.9 Ų12.94%0.0357%0.066CC..Hα-helixtrans-60.7-40.9173.4-174.8179.2-66.4177.40111.8K201 S202 V233 F291 D293 N297 L298 F304 T305K201-K301 HydrophobicContact CG-CD 4.09Å; S202-K301 PolarHBondContact O-NZ 3.19Å; V233-K301 HydrophobicContact CG1-CD 4.31Å; V233-K301 HydrophobicContact CG1-CG 3.8Å; F291-K301 HydrophobicContact CE2-CB 3.8Å; F291-K301 HydrophobicContact CE2-CG 4.16Å; F291-K301 HydrophobicContact CZ-CB 3.73Å; F291-K301 HydrophobicContact CZ-CG 3.86Å; D293-K301 WeakPolarHBondContact OD1-CE 3.34Å; D293-K301 IonicContact OD1-NZ 3.39Å; D293-K301 PolarHBondContact OD1-NZ 2.92Å; D293-K301 IonicContact OD2-NZ 3.91Å; N297-K301 PolarHBondContact O-N 3.05Å; L298-K301 CarbonylContact O-C 3.56Å; L298-K301 WeakPolarHBondContact O-CB 3.47Å; L298-K301 PolarHBondContact O-N 2.93Å; K301-F304 WeakPolarHBondContact O-CB 3.28Å; K301-F304 PolarHBondContact O-N 3.47Å; K301-T305 PolarHBondContact O-N 2.84Å; K301-T305 PolarHBondContact O-OG1 2.85Å
302L98.7Very high97.2Very high10 Ų1013 Ų135%0.0527%0.067CC..Hα-helixtrans-60.1-50.1175.6-175.673.1000111.5L298 S299 T300 T305 F306 Y394 D417 Y420 L421L298-L302 PolarHBondContact O-N 2.8Å; S299-L302 WeakPolarHBondContact O-CB 3.24Å; S299-L302 PolarHBondContact O-N 3.17Å; T300-L302 VanDerWaalsContact C-N 3.33Å; T300-L302 PolarHBondContact O-N 3Å; L302-T305 WeakPolarHBondContact O-CB 3.39Å; L302-T305 PolarHBondContact O-N 3.48Å; L302-F306 HydrophobicContact CD1-CE1 3.98Å; L302-F306 HydrophobicContact CD1-CE2 3.81Å; L302-F306 HydrophobicContact CD1-CZ 3.45Å; L302-F306 VanDerWaalsContact CD1-CZ 3.45Å; L302-F306 HydrophobicContact CD2-CE2 3.92Å; L302-F306 HydrophobicContact CD2-CZ 4.3Å; L302-F306 HydrophobicContact CG-CD2 4.17Å; L302-F306 HydrophobicContact CG-CE2 3.59Å; L302-F306 HydrophobicContact CG-CZ 3.81Å; L302-F306 WeakPolarHBondContact O-CG 3.37Å; L302-F306 PolarHBondContact O-N 3.18Å; L302-Y394 WeakPolarHBondContact CD1-OH 3.29Å; L302-D417 HydrophobicContact CD2-CB 4.46Å; L302-Y420 HydrophobicContact CD2-CD1 4.23Å; L302-L421 HydrophobicContact CD2-CB 4.11Å
303V98.6Very high97.2Very high4 Ų412.6 Ų12.62%0.0247%0.067CC..Hα-helixtrans-63.7-44178.7173.80000111.4I175 S299 T300 T305 F306 R307 S408 Y420I175-V303 HydrophobicContact CD1-CB 4.43Å; I175-V303 HydrophobicContact CD1-CG1 3.79Å; S299-V303 WeakPolarHBondContact O-CG2 3.22Å; S299-V303 PolarHBondContact O-N 3.25Å; T300-V303 PolarHBondContact O-N 3.37Å; V303-T305 VanDerWaalsContact C-N 3.29Å; V303-T305 PolarHBondContact O-N 3.08Å; V303-F306 PolarHBondContact O-N 3.43Å; V303-R307 HydrophobicContact CG1-CG 4.19Å; V303-R307 VanDerWaalsContact CG1-NE 3.33Å; V303-R307 WeakPolarHBondContact O-CB 3.36Å; V303-R307 WeakPolarHBondContact O-CG 3.48Å; V303-R307 PolarHBondContact O-N 3.38Å; V303-S408 WeakPolarHBondContact CG1-OG 3.41Å; V303-Y420 HydrophobicContact CG2-CD1 4.5Å; V303-Y420 HydrophobicContact CG2-CE1 3.63Å
304F98.7Very high97.1Very high0 Ų014.9 Ų14.90%08%0.082CC..Hα-helixtrans-51.5-50.9174.2171.9-120.3000111.3L99 I175 A177 V233 L287 G289 F291 T300 K301 R307 W308L99-F304 HydrophobicContact CD1-CD2 3.55Å; L99-F304 HydrophobicContact CD1-CE2 3.58Å; I175-F304 HydrophobicContact CG2-CB 3.79Å; I175-F304 HydrophobicContact CG2-CD2 3.42Å; I175-F304 VanDerWaalsContact CG2-CD2 3.42Å; I175-F304 HydrophobicContact CG2-CE2 4.34Å; I175-F304 HydrophobicContact CG2-CG 3.97Å; A177-F304 HydrophobicContact CB-CE2 3.91Å; A177-F304 HydrophobicContact CB-CZ 4.16Å; V233-F304 HydrophobicContact CG1-CD1 3.72Å; V233-F304 HydrophobicContact CG1-CE1 3.85Å; L287-F304 HydrophobicContact CD1-CE1 4.31Å; L287-F304 HydrophobicContact CD1-CZ 3.86Å; L287-F304 HydrophobicContact CD2-CD1 4.07Å; L287-F304 HydrophobicContact CD2-CE1 3.39Å; L287-F304 HydrophobicContact CD2-CZ 3.72Å; L287-F304 HydrophobicContact CG-CE1 3.46Å; L287-F304 VanDerWaalsContact CG-CE1 3.46Å; L287-F304 HydrophobicContact CG-CZ 3.53Å; G289-F304 VanDerWaalsContact CA-CZ 3.41Å; F291-F304 HydrophobicContact CE1-CB 3.75Å; F291-F304 AromaticContact CE1-CD1 3.62Å; F291-F304 HydrophobicContact CE1-CD1 3.62Å; F291-F304 HydrophobicContact CE1-CD2 4.34Å; F291-F304 HydrophobicContact CE1-CE1 4.24Å; F291-F304 AromaticContact CE1-CG 3.66Å; F291-F304 HydrophobicContact CE1-CG 3.66Å; F291-F304 HydrophobicContact CZ-CB 4.46Å; F291-F304 AromaticContact CZ-CD1 3.95Å; F291-F304 HydrophobicContact CZ-CD1 3.95Å; F291-F304 HydrophobicContact CZ-CG 4.39Å; T300-F304 VanDerWaalsContact O-CB 3.29Å; T300-F304 WeakPolarHBondContact O-CB 3.43Å; T300-F304 PolarHBondContact O-N 2.99Å; K301-F304 WeakPolarHBondContact O-CB 3.28Å; K301-F304 PolarHBondContact O-N 3.47Å; F304-R307 PolarHBondContact O-N 3.06Å; F304-W308 WeakPolarHBondContact O-CB 3.28Å; F304-W308 PolarHBondContact O-N 3.23Å
305T98.8Very high97Very high7 Ų719.5 Ų19.54%0.04311%0.106CC..Hα-helixtrans-59.8-51.5177.6-58.90000112V199 V233 K301 L302 V303 R307 W308 L309 F322V199-T305 HydrophobicContact CG1-CG2 3.69Å; V199-T305 HydrophobicContact CG2-CG2 4.45Å; V233-T305 HydrophobicContact CG2-CG2 4.39Å; K301-T305 PolarHBondContact O-N 2.84Å; K301-T305 PolarHBondContact O-OG1 2.85Å; L302-T305 WeakPolarHBondContact O-CB 3.39Å; L302-T305 PolarHBondContact O-N 3.48Å; V303-T305 VanDerWaalsContact C-N 3.29Å; V303-T305 PolarHBondContact O-N 3.08Å; T305-R307 VanDerWaalsContact C-N 3.29Å; T305-R307 PolarHBondContact O-N 2.73Å; T305-W308 PolarHBondContact O-N 3.41Å; T305-L309 HydrophobicContact CG2-CD1 3.94Å; T305-L309 HydrophobicContact CG2-CG 4.27Å; T305-L309 WeakPolarHBondContact O-CB 3.47Å; T305-L309 VanDerWaalsContact O-CG 3.28Å; T305-L309 WeakPolarHBondContact O-CG 3.43Å; T305-L309 PolarHBondContact O-N 3.06Å; T305-F322 HydrophobicContact CG2-CD1 4.41Å; T305-F322 HydrophobicContact CG2-CE1 3.71Å
306F98.8Very high97Very high0 Ų020.7 Ų20.70%012%0.122CC..Hα-helixtrans-61.4-38.9-178.3-67.9-21.1000112.5L302 V303 S310 F322 L396 V401 L404 A405 L421L302-F306 HydrophobicContact CD1-CE1 3.98Å; L302-F306 HydrophobicContact CD1-CE2 3.81Å; L302-F306 HydrophobicContact CD1-CZ 3.45Å; L302-F306 VanDerWaalsContact CD1-CZ 3.45Å; L302-F306 HydrophobicContact CD2-CE2 3.92Å; L302-F306 HydrophobicContact CD2-CZ 4.3Å; L302-F306 HydrophobicContact CG-CD2 4.17Å; L302-F306 HydrophobicContact CG-CE2 3.59Å; L302-F306 HydrophobicContact CG-CZ 3.81Å; L302-F306 WeakPolarHBondContact O-CG 3.37Å; L302-F306 PolarHBondContact O-N 3.18Å; V303-F306 PolarHBondContact O-N 3.43Å; F306-S310 WeakPolarHBondContact O-CB 3.37Å; F306-S310 PolarHBondContact O-N 3.36Å; F306-F322 HydrophobicContact CD1-CE1 4.07Å; F306-F322 HydrophobicContact CD1-CZ 4.01Å; F306-F322 HydrophobicContact CE1-CD1 4.49Å; F306-F322 AromaticContact CE1-CE1 3.67Å; F306-F322 HydrophobicContact CE1-CE1 3.67Å; F306-F322 HydrophobicContact CE1-CE2 4.35Å; F306-F322 AromaticContact CE1-CZ 3.6Å; F306-F322 HydrophobicContact CE1-CZ 3.6Å; F306-L396 HydrophobicContact CE1-CD1 3.76Å; F306-L396 HydrophobicContact CZ-CD1 3.79Å; F306-V401 HydrophobicContact CB-CG1 4.34Å; F306-V401 HydrophobicContact CD1-CG1 4.16Å; F306-L404 HydrophobicContact CD2-CB 3.75Å; F306-L404 HydrophobicContact CD2-CD1 4.35Å; F306-L404 HydrophobicContact CE1-CD1 4.47Å; F306-L404 HydrophobicContact CE2-CB 3.97Å; F306-L404 HydrophobicContact CE2-CD1 3.81Å; F306-L404 HydrophobicContact CE2-CG 4.4Å; F306-L404 HydrophobicContact CG-CB 4.35Å; F306-L404 HydrophobicContact CZ-CD1 3.88Å; F306-A405 HydrophobicContact CB-CB 4.26Å; F306-L421 HydrophobicContact CE2-CD1 3.94Å; F306-L421 HydrophobicContact CZ-CD1 3.89Å
307R98.3Very high97.1Very high0 Ų020.6 Ų20.60%012%0.121CC..Hα-helixtrans-71.5-39.6178.5-65.6-171.1-171.5175.7-1.2112.1W81 L99 L101 N171 N172 V303 F304 T305 S310 A311 A405 S408W81-R307 HydrophobicContact CH2-CB 4.14Å; W81-R307 HydrophobicContact CZ2-CB 3.82Å; W81-R307 HydrophobicContact CZ2-CG 4.1Å; L99-R307 HydrophobicContact CB-CB 3.94Å; L99-R307 WeakPolarHBondContact O-CD 3.37Å; L99-R307 PolarHBondContact O-NH1 2.73Å; L99-R307 VanDerWaalsContact O-NH1 3.14Å; L101-R307 HydrophobicContact CD1-CG 4.33Å; N171-R307 PolarHBondContact O-NH2 2.99Å; N172-R307 PolarHBondContact OD1-NH1 3.36Å; N172-R307 PolarHBondContact OD1-NH2 3.19Å; V303-R307 HydrophobicContact CG1-CG 4.19Å; V303-R307 VanDerWaalsContact CG1-NE 3.33Å; V303-R307 WeakPolarHBondContact O-CB 3.36Å; V303-R307 WeakPolarHBondContact O-CG 3.48Å; V303-R307 PolarHBondContact O-N 3.38Å; F304-R307 PolarHBondContact O-N 3.06Å; T305-R307 VanDerWaalsContact C-N 3.29Å; T305-R307 PolarHBondContact O-N 2.73Å; R307-S310 PolarHBondContact O-N 3.43Å; R307-A311 WeakPolarHBondContact O-CB 3.05Å; R307-A311 PolarHBondContact O-N 2.96Å; R307-A405 HydrophobicContact CG-CB 4.08Å; R307-S408 PolarHBondContact NE-OG 3.43Å; R307-S408 PolarHBondContact NH2-OG 2.92Å
308W98.3Very high97.2Very high0 Ų018.5 Ų18.50%011%0.11CC..Hα-helixtrans-59.4-52.3172.5168.368.8000111.2L99 P181 I184 C185 V231 L287 F304 T305 S310 A311 L312L99-W308 HydrophobicContact CD1-CB 3.78Å; P181-W308 HydrophobicContact CG-CH2 4.19Å; P181-W308 HydrophobicContact CG-CZ2 3.59Å; I184-W308 HydrophobicContact CB-CZ2 4.5Å; I184-W308 HydrophobicContact CG2-CH2 3.86Å; I184-W308 HydrophobicContact CG2-CZ2 4.1Å; C185-W308 HydrophobicContact CB-CH2 4.32Å; C185-W308 HydrophobicContact CB-CZ2 3.56Å; C185-W308 PolarHBondContact O-NE1 3.37Å; V231-W308 HydrophobicContact CB-CH2 4.05Å; V231-W308 HydrophobicContact CB-CZ3 4.48Å; V231-W308 HydrophobicContact CG1-CH2 3.72Å; V231-W308 HydrophobicContact CG1-CZ3 3.75Å; V231-W308 HydrophobicContact CG2-CH2 3.82Å; V231-W308 HydrophobicContact CG2-CZ3 4.24Å; L287-W308 HydrophobicContact CD1-CD2 4.1Å; L287-W308 HydrophobicContact CD1-CG 4.02Å; L287-W308 HydrophobicContact CD2-CB 4.08Å; L287-W308 HydrophobicContact CD2-CD2 3.5Å; L287-W308 HydrophobicContact CD2-CE3 3.52Å; L287-W308 HydrophobicContact CD2-CG 3.73Å; L287-W308 HydrophobicContact CD2-CZ3 4.14Å; L287-W308 HydrophobicContact CG-CD2 4.41Å; F304-W308 WeakPolarHBondContact O-CB 3.28Å; F304-W308 PolarHBondContact O-N 3.23Å; T305-W308 PolarHBondContact O-N 3.41Å; W308-S310 VanDerWaalsContact C-N 3.35Å; W308-S310 PolarHBondContact O-N 3.36Å; W308-A311 PolarHBondContact O-N 3.18Å; W308-L312 PolarHBondContact O-N 3.41Å
309L98.2Very high97.2Very high3 Ų317.7 Ų17.72%0.01611%0.106CC..Hα-helixtrans-59-46.1178.4-68.3177.1000111.8I197 V199 T305 A311 C313 F320 F322 V401I197-L309 HydrophobicContact CG2-CD2 4.47Å; V199-L309 HydrophobicContact CG2-CD1 4.17Å; V199-L309 HydrophobicContact CG2-CD2 4.31Å; T305-L309 HydrophobicContact CG2-CD1 3.94Å; T305-L309 HydrophobicContact CG2-CG 4.27Å; T305-L309 WeakPolarHBondContact O-CB 3.47Å; T305-L309 VanDerWaalsContact O-CG 3.28Å; T305-L309 WeakPolarHBondContact O-CG 3.43Å; T305-L309 PolarHBondContact O-N 3.06Å; L309-A311 VanDerWaalsContact C-N 3.3Å; L309-A311 PolarHBondContact O-N 3.21Å; L309-C313 VanDerWaalsContact CD2-SG 3.52Å; L309-C313 WeakPolarHBondContact O-CB 3.13Å; L309-C313 PolarHBondContact O-N 2.77Å; L309-F320 HydrophobicContact CB-CE1 4.36Å; L309-F320 HydrophobicContact CB-CZ 4.2Å; L309-F320 HydrophobicContact CD1-CB 4.35Å; L309-F320 HydrophobicContact CD1-CD1 3.85Å; L309-F320 HydrophobicContact CD1-CD2 4.33Å; L309-F320 HydrophobicContact CD1-CE1 4.23Å; L309-F320 HydrophobicContact CD1-CG 3.92Å; L309-F320 HydrophobicContact CD2-CD1 3.75Å; L309-F320 HydrophobicContact CD2-CE1 3.55Å; L309-F320 HydrophobicContact CD2-CZ 4.22Å; L309-F320 HydrophobicContact CG-CD1 4.33Å; L309-F320 HydrophobicContact CG-CE1 4.26Å; L309-F322 HydrophobicContact CD1-CE1 3.93Å; L309-F322 HydrophobicContact CD1-CZ 3.63Å; L309-V401 HydrophobicContact CB-CG1 3.77Å; L309-V401 HydrophobicContact CD1-CG1 4.05Å
310S97.4Very high97.2Very high4 Ų418 Ų183%0.02811%0.107CC..Hα-helixtrans-66.1-30.8-179.6177.10000113.3W81 F306 R307 W308W81-S310 PolarHBondContact NE1-OG 3.04Å; F306-S310 WeakPolarHBondContact O-CB 3.37Å; F306-S310 PolarHBondContact O-N 3.36Å; R307-S310 PolarHBondContact O-N 3.43Å; W308-S310 VanDerWaalsContact C-N 3.35Å; W308-S310 PolarHBondContact O-N 3.36Å
311A96Very high97.3Very high16 Ų1616.6 Ų16.613%0.13210%0.099CC..Hα-helixtrans-98.6-33-171.300000114.5W81 P82 L89 L99 R307 W308 L309W81-A311 HydrophobicContact CH2-CB 3.96Å; W81-A311 HydrophobicContact CZ2-CB 3.82Å; P82-A311 HydrophobicContact CB-CB 4.04Å; L89-A311 HydrophobicContact CD1-CB 4.03Å; L89-A311 HydrophobicContact CD2-CB 4.18Å; L99-A311 HydrophobicContact CD2-CB 4.39Å; R307-A311 WeakPolarHBondContact O-CB 3.05Å; R307-A311 PolarHBondContact O-N 2.96Å; W308-A311 PolarHBondContact O-N 3.18Å; L309-A311 VanDerWaalsContact C-N 3.3Å; L309-A311 PolarHBondContact O-N 3.21Å
312L95.7Very high97.3Very high17 Ų1716.7 Ų16.79%0.08910%0.099CC..Hα-helixtrans-116.5-15.5-170.3-67174.3000113.7I86 L89 I97 L180 C185 P187 W308I86-L312 HydrophobicContact CD1-CD2 3.78Å; L89-L312 HydrophobicContact CD1-CD2 3.56Å; L89-L312 HydrophobicContact CD1-CG 4.09Å; I97-L312 HydrophobicContact CG2-CD1 4.27Å; L180-L312 HydrophobicContact CD1-CD1 4.17Å; L180-L312 HydrophobicContact CD2-CD1 3.91Å; C185-L312 WeakPolarHBondContact CA-O 3.45Å; C185-L312 HydrophobicContact CB-CB 4.22Å; C185-L312 VanDerWaalsContact O-CB 3.26Å; C185-L312 WeakPolarHBondContact O-CB 3.49Å; P187-L312 HydrophobicContact CB-CD2 4.31Å; P187-L312 HydrophobicContact CG-CD2 4.06Å; W308-L312 PolarHBondContact O-N 3.41Å
313C95.7Very high97.3Very high14 Ų1416.3 Ų16.310%0.09510%0.097CC..SBendtrans-79.7140.9174.4-610000111.4C185 L309 N315 F320C185-C313 HydrophobicContact CB-CB 3.91Å; C185-C313 WeakPolarHBondContact CB-SG 3.16Å; C185-C313 WeakPolarHBondContact SG-CA 3.49Å; C185-C313 WeakPolarHBondContact SG-CB 3.46Å; C185-C313 CovalentContact SG-SG 2.02Å; C185-C313 PolarHBondContact SG-SG 3.08Å; L309-C313 VanDerWaalsContact CD2-SG 3.52Å; L309-C313 WeakPolarHBondContact O-CB 3.13Å; L309-C313 PolarHBondContact O-N 2.77Å; C313-N315 PolarHBondContact O-N 2.86Å; C313-F320 HydrophobicContact CB-CZ 4.28Å
314P92.8Very high97.2Very high54 Ų5417.9 Ų17.935%0.35111%0.105SC..  trans-56.2140.5172.1-2534.4000112A193 T316 V317A193-P314 HydrophobicContact CB-CB 3.94Å; A193-P314 HydrophobicContact CB-CG 4.11Å; P314-T316 PolarHBondContact O-N 3.43Å; P314-V317 PolarHBondContact O-N 3.35Å
315N91.8Very high97.1Very high102 Ų10219.4 Ų19.455%0.54511%0.114SC..THydrogen-bonded Turntrans-58.8-18.4177.4-76.6-34.3000113.8C313 R347 K402C313-N315 PolarHBondContact O-N 2.86Å; N315-R347 PolarHBondContact O-NH1 2.79Å; N315-K402 WeakPolarHBondContact OD1-CE 3.35Å; N315-K402 PolarHBondContact OD1-NZ 2.87Å
316T94.6Very high96.9Very high98 Ų9823 Ų2360%0.60113%0.132SC*.THydrogen-bonded Turntrans-75.8-19178.645.30000113.7A193 P314 P318A193-T316 WeakPolarHBondContact CB-OG1 3.43Å; P314-T316 PolarHBondContact O-N 3.43Å; T316-P318 VanDerWaalsContact O-CD 3.24Å; T316-P318 WeakPolarHBondContact O-CD 3.4Å
317V97.1Very high96.9Very high0 Ų024.4 Ų24.40%014%0.138CC..  trans-66.8117.9172.8-177.70000108.4A193 P194 I197 P314 F320 S398A193-V317 HydrophobicContact CB-CG2 3.92Å; P194-V317 HydrophobicContact CG-CG2 4.32Å; I197-V317 HydrophobicContact CD1-CG1 4.07Å; I197-V317 HydrophobicContact CD1-CG2 4.22Å; I197-V317 HydrophobicContact CG1-CG1 4.07Å; P314-V317 PolarHBondContact O-N 3.35Å; V317-F320 HydrophobicContact CB-CZ 4.39Å; V317-F320 HydrophobicContact CG1-CD1 4.48Å; V317-F320 HydrophobicContact CG1-CE1 3.77Å; V317-F320 HydrophobicContact CG1-CZ 3.99Å; V317-S398 WeakPolarHBondContact O-CB 3.44Å; V317-S398 PolarHBondContact O-OG 3.44Å
318P98Very high96.8Very high2 Ų224.4 Ų24.41%0.01314%0.138CC..  trans-87.5-31.2-172.932.7-33.7000113.2D195 T316 Y338 I343 L346 R347 S398D195-P318 VanDerWaalsContact O-CD 3.24Å; D195-P318 WeakPolarHBondContact O-CD 3.18Å; D195-P318 VanDerWaalsContact O-CG 3.24Å; D195-P318 WeakPolarHBondContact O-CG 3.49Å; T316-P318 VanDerWaalsContact O-CD 3.24Å; T316-P318 WeakPolarHBondContact O-CD 3.4Å; P318-Y338 HydrophobicContact CG-CE2 4.11Å; P318-Y338 WeakPolarHBondContact CG-OH 3.32Å; P318-I343 HydrophobicContact CB-CD1 4.41Å; P318-I343 HydrophobicContact CB-CG2 4.17Å; P318-I343 HydrophobicContact CG-CD1 4.24Å; P318-L346 HydrophobicContact CB-CB 4.32Å; P318-R347 HydrophobicContact CB-CG 3.91Å; P318-R347 WeakPolarHBondContact O-CA 3.31Å; P318-S398 PolarHBondContact O-N 3.47Å; P318-S398 PolarHBondContact O-OG 2.88Å
319L98.6Very high96.8Very high4 Ų424.4 Ų24.42%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-138.9139.1-163.5-162.265.9000112.5L196 I197 F337 Y338 L346 L349 I395L196-L319 HydrophobicContact CD1-CB 4.17Å; L196-L319 HydrophobicContact CD1-CD2 4.12Å; L196-L319 HydrophobicContact CD1-CG 4.13Å; I197-L319 PolarHBondContact N-O 2.96Å; L319-F337 HydrophobicContact CD2-CE1 4.48Å; L319-Y338 HydrophobicContact CB-CE2 4.47Å; L319-Y338 HydrophobicContact CD2-CD2 4.03Å; L319-L346 HydrophobicContact CD1-CB 4.25Å; L319-L346 HydrophobicContact CD1-CD2 4.19Å; L319-L346 WeakPolarHBondContact CD1-O 3.36Å; L319-L346 HydrophobicContact CD2-CD2 3.92Å; L319-L349 HydrophobicContact CD1-CD2 4.2Å; L319-I395 HydrophobicContact CD1-CG2 3.34Å; L319-I395 HydrophobicContact CD2-CG2 3.94Å; L319-I395 HydrophobicContact CG-CG2 3.68Å
320F98.8Very high96.8Very high5 Ų524.3 Ų24.32%0.02214%0.137CC..EExtended strand (participates in β ladder)trans-121.6129172.3-57.9-70.8000109.6I197 L309 C313 V317 F322 I395 L396 V401I197-F320 HydrophobicContact CB-CD1 3.81Å; I197-F320 HydrophobicContact CB-CE1 4.03Å; I197-F320 HydrophobicContact CD1-CE1 4.06Å; I197-F320 HydrophobicContact CG1-CE1 4.4Å; I197-F320 HydrophobicContact CG2-CD1 4.29Å; I197-F320 WeakPolarHBondContact O-CA 3.44Å; L309-F320 HydrophobicContact CB-CE1 4.36Å; L309-F320 HydrophobicContact CB-CZ 4.2Å; L309-F320 HydrophobicContact CD1-CB 4.35Å; L309-F320 HydrophobicContact CD1-CD1 3.85Å; L309-F320 HydrophobicContact CD1-CD2 4.33Å; L309-F320 HydrophobicContact CD1-CE1 4.23Å; L309-F320 HydrophobicContact CD1-CG 3.92Å; L309-F320 HydrophobicContact CD2-CD1 3.75Å; L309-F320 HydrophobicContact CD2-CE1 3.55Å; L309-F320 HydrophobicContact CD2-CZ 4.22Å; L309-F320 HydrophobicContact CG-CD1 4.33Å; L309-F320 HydrophobicContact CG-CE1 4.26Å; C313-F320 HydrophobicContact CB-CZ 4.28Å; V317-F320 HydrophobicContact CB-CZ 4.39Å; V317-F320 HydrophobicContact CG1-CD1 4.48Å; V317-F320 HydrophobicContact CG1-CE1 3.77Å; V317-F320 HydrophobicContact CG1-CZ 3.99Å; F320-F322 HydrophobicContact CB-CD2 4.43Å; F320-F322 HydrophobicContact CB-CE2 3.53Å; F320-F322 HydrophobicContact CB-CZ 3.85Å; F320-I395 WeakPolarHBondContact O-CA 3.34Å; F320-L396 PolarHBondContact N-O 3.11Å; F320-L396 PolarHBondContact O-N 3.24Å; F320-V401 HydrophobicContact CB-CG2 4.47Å; F320-V401 HydrophobicContact CD2-CB 4.05Å; F320-V401 HydrophobicContact CD2-CG1 4.44Å; F320-V401 HydrophobicContact CD2-CG2 3.57Å; F320-V401 HydrophobicContact CE2-CB 4.19Å; F320-V401 HydrophobicContact CE2-CG1 4.39Å; F320-V401 HydrophobicContact CE2-CG2 4.21Å; F320-V401 HydrophobicContact CG-CG2 4.33Å
321L98.8Very high96.8Very high1 Ų124.1 Ų24.11%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-110127.3172.5-173161000108.6L196 I197 V198 V199 I323 L329 V334 T393 I395 I452L196-L321 HydrophobicContact CD1-CB 3.98Å; I197-L321 PolarHBondContact O-N 3.39Å; V198-L321 CarbonylContact C-O 3.57Å; V198-L321 WeakPolarHBondContact CA-O 3.33Å; V198-L321 HydrophobicContact CG1-CD2 4.31Å; V198-L321 HydrophobicContact CG2-CB 4.42Å; V199-L321 PolarHBondContact N-O 3.18Å; L321-I323 HydrophobicContact CD2-CB 4.01Å; L321-I323 HydrophobicContact CD2-CG2 4.42Å; L321-L329 HydrophobicContact CD1-CD1 4.21Å; L321-L329 HydrophobicContact CD1-CD2 3.76Å; L321-L329 HydrophobicContact CD2-CD1 4Å; L321-L329 HydrophobicContact CD2-CD2 3.72Å; L321-L329 HydrophobicContact CD2-CG 4.36Å; L321-L329 HydrophobicContact CG-CD2 4.43Å; L321-V334 HydrophobicContact CD1-CG1 4.42Å; L321-V334 HydrophobicContact CD1-CG2 4.38Å; L321-T393 HydrophobicContact CD2-CG2 4.13Å; L321-I395 HydrophobicContact CB-CG1 4.33Å; L321-I395 HydrophobicContact CD1-CD1 4.24Å; L321-I395 HydrophobicContact CD1-CG1 4.11Å; L321-I395 HydrophobicContact CG-CG1 3.92Å; L321-I452 HydrophobicContact CD1-CD1 4.11Å
322F98.8Very high96.8Very high9 Ų927.1 Ų27.14%0.03914%0.144CC..EExtended strand (participates in β ladder)trans-107.9131179.1-58.3-100.8000109.4V199 T305 F306 L309 F320 T393 Y394 L396 V401V199-F322 HydrophobicContact CB-CD1 3.88Å; V199-F322 HydrophobicContact CB-CE1 4.16Å; V199-F322 HydrophobicContact CB-CG 4.5Å; V199-F322 HydrophobicContact CG1-CD1 4.15Å; V199-F322 HydrophobicContact CG1-CE1 4.38Å; V199-F322 HydrophobicContact CG2-CD1 4.37Å; V199-F322 HydrophobicContact CG2-CE1 4.18Å; V199-F322 WeakPolarHBondContact O-CA 3.36Å; T305-F322 HydrophobicContact CG2-CD1 4.41Å; T305-F322 HydrophobicContact CG2-CE1 3.71Å; F306-F322 HydrophobicContact CD1-CE1 4.07Å; F306-F322 HydrophobicContact CD1-CZ 4.01Å; F306-F322 HydrophobicContact CE1-CD1 4.49Å; F306-F322 AromaticContact CE1-CE1 3.67Å; F306-F322 HydrophobicContact CE1-CE1 3.67Å; F306-F322 HydrophobicContact CE1-CE2 4.35Å; F306-F322 AromaticContact CE1-CZ 3.6Å; F306-F322 HydrophobicContact CE1-CZ 3.6Å; L309-F322 HydrophobicContact CD1-CE1 3.93Å; L309-F322 HydrophobicContact CD1-CZ 3.63Å; F320-F322 HydrophobicContact CB-CD2 4.43Å; F320-F322 HydrophobicContact CB-CE2 3.53Å; F320-F322 HydrophobicContact CB-CZ 3.85Å; F322-T393 VanDerWaalsContact O-CA 3.29Å; F322-T393 WeakPolarHBondContact O-CA 3.19Å; F322-Y394 HydrophobicContact CB-CD1 4.12Å; F322-Y394 HydrophobicContact CB-CD2 3.88Å; F322-Y394 HydrophobicContact CB-CE1 3.69Å; F322-Y394 HydrophobicContact CB-CE2 3.43Å; F322-Y394 VanDerWaalsContact CB-CE2 3.43Å; F322-Y394 HydrophobicContact CB-CG 4.19Å; F322-Y394 HydrophobicContact CD1-CE2 4.01Å; F322-Y394 AromaticContact CD1-CZ 3.99Å; F322-Y394 AromaticContact CD2-CD2 3.67Å; F322-Y394 HydrophobicContact CD2-CD2 3.67Å; F322-Y394 AromaticContact CD2-CE2 3.25Å; F322-Y394 HydrophobicContact CD2-CE2 3.25Å; F322-Y394 AromaticContact CD2-CZ 4Å; F322-Y394 AromaticContact CE2-CE2 3.99Å; F322-Y394 HydrophobicContact CE2-CE2 3.99Å; F322-Y394 AromaticContact CG-CD2 3.99Å; F322-Y394 HydrophobicContact CG-CD2 3.99Å; F322-Y394 HydrophobicContact CG-CE1 4.37Å; F322-Y394 AromaticContact CG-CE2 3.28Å; F322-Y394 HydrophobicContact CG-CE2 3.28Å; F322-Y394 AromaticContact CG-CZ 3.5Å; F322-Y394 PolarHBondContact N-O 2.8Å; F322-Y394 PolarHBondContact O-N 2.81Å; F322-L396 HydrophobicContact CD2-CD1 4.31Å; F322-L396 HydrophobicContact CD2-CG 4.31Å; F322-L396 HydrophobicContact CE2-CB 3.99Å; F322-L396 HydrophobicContact CE2-CD1 3.8Å; F322-L396 HydrophobicContact CE2-CG 3.96Å; F322-L396 HydrophobicContact CZ-CD1 4.3Å; F322-V401 HydrophobicContact CE2-CG2 4.41Å; F322-V401 HydrophobicContact CZ-CG2 4.2Å
323I98.5Very high96.9Very high3 Ų327 Ų272%0.01514%0.144CC..EExtended strand (participates in β ladder)trans-139.9143.4-178.1-168.7164.6000110.9V198 V199 I200 K201 L321 L329 A392V198-I323 HydrophobicContact CG1-CG2 4.09Å; V199-I323 PolarHBondContact O-N 3.32Å; I200-I323 WeakPolarHBondContact CA-O 3.3Å; I200-I323 HydrophobicContact CB-CG2 4.25Å; I200-I323 HydrophobicContact CG1-CG2 3.77Å; I200-I323 HydrophobicContact CG2-CG2 4.31Å; K201-I323 PolarHBondContact N-O 3.43Å; L321-I323 HydrophobicContact CD2-CB 4.01Å; L321-I323 HydrophobicContact CD2-CG2 4.42Å; I323-L329 HydrophobicContact CD1-CD2 3.69Å; I323-L329 HydrophobicContact CD1-CG 3.74Å; I323-A392 WeakPolarHBondContact CA-O 3.41Å
324D97.5Very high97Very high36 Ų3626.6 Ų26.619%0.19314%0.141CC..EExtended strand (participates in β ladder)trans-75.7157.6172.2-146.7-22.2000111.2K201 D326 Y327 A392K201-D324 WeakPolarHBondContact CE-OD1 3.37Å; K201-D324 WeakPolarHBondContact CE-OD2 3.41Å; K201-D324 IonicContact NZ-OD1 2.74Å; K201-D324 IonicContact NZ-OD2 3.94Å; K201-D324 PolarHBondContact NZ-OD2 3.25Å; D324-D326 WeakPolarHBondContact CB-OD1 3.43Å; D324-D326 PolarHBondContact O-N 3.28Å; D324-Y327 HydrophobicContact CB-CD2 4.29Å; D324-Y327 PolarHBondContact O-N 3.46Å; D324-A392 PolarHBondContact N-O 3.15Å
325N95.7Very high97.2Very high33 Ų3324.8 Ų24.818%0.17613%0.128CC..THydrogen-bonded Turntrans-73.4-7.4-174.868.7-12.7000114.5K201 C206 E209K201-N325 WeakPolarHBondContact O-CB 3.33Å; K201-N325 PolarHBondContact O-N 3.33Å; C206-N325 PolarHBondContact SG-ND2 2.66Å; E209-N325 HydrophobicContact CB-CB 4.15Å
326D95.4Very high97.5Very high81 Ų8126 Ų2643%0.43313%0.128SC..THydrogen-bonded Turntrans-100.210.1176.266.6-18.6000113.5D324 H456D324-D326 WeakPolarHBondContact CB-OD1 3.43Å; D324-D326 PolarHBondContact O-N 3.28Å; D326-H456 WeakPolarHBondContact O-CB 3.21Å; D326-H456 PolarHBondContact O-N 2.81Å
327Y98.1Very high97.7Very high30 Ų3022.2 Ų22.212%0.11810%0.103CC..EExtended strand (participates in β ladder)trans-122.2148171.8-71.2-103.3000111.6D324 A392 L440 N453 V454 P455D324-Y327 HydrophobicContact CB-CD2 4.29Å; D324-Y327 PolarHBondContact O-N 3.46Å; Y327-A392 HydrophobicContact CD2-CB 4.04Å; Y327-A392 HydrophobicContact CE1-CB 4.16Å; Y327-A392 HydrophobicContact CE2-CB 3.54Å; Y327-L440 PolarHBondContact OH-O 3.32Å; Y327-L440 VanDerWaalsContact OH-O 3.1Å; Y327-N453 WeakPolarHBondContact CD1-ND2 3.49Å; Y327-V454 WeakPolarHBondContact CA-O 3.48Å; Y327-P455 HydrophobicContact CD1-CG 4.16Å; Y327-P455 HydrophobicContact CE1-CB 4.35Å; Y327-P455 HydrophobicContact CE1-CG 3.68Å
328D98Very high97.7Very high1 Ų123.1 Ų23.11%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-108.9152171.3-64.2-41.1000110.7H212 F217 N453 V454 H456 S459 W465H212-D328 IonicContact CD2-OD1 3.59Å; H212-D328 PolarHBondContact CD2-OD1 3.49Å; H212-D328 IonicContact CE1-OD1 2.69Å; H212-D328 IonicContact CE1-OD2 3.6Å; H212-D328 IonicContact NE2-OD1 3.72Å; H212-D328 PolarHBondContact NE2-OD1 2.82Å; H212-D328 IonicContact NE2-OD2 2.86Å; H212-D328 PolarHBondContact NE2-OD2 3.2Å; F217-D328 HydrophobicContact CD1-CB 3.66Å; F217-D328 WeakPolarHBondContact CD1-OD1 3.41Å; F217-D328 HydrophobicContact CE1-CB 4.17Å; F217-D328 WeakPolarHBondContact CE1-OD1 3.12Å; F217-D328 HydrophobicContact CG-CB 4.41Å; D328-N453 CarbonylContact O-C 3.47Å; D328-N453 WeakPolarHBondContact O-CA 3.45Å; D328-V454 HydrophobicContact CB-CG1 4.16Å; D328-V454 PolarHBondContact N-O 2.75Å; D328-V454 PolarHBondContact O-N 2.85Å; D328-H456 IonicContact OD2-ND1 3.66Å; D328-H456 PolarHBondContact OD2-ND1 3.34Å; D328-S459 WeakPolarHBondContact OD2-CB 3.44Å; D328-S459 PolarHBondContact OD2-OG 2.96Å; D328-W465 HydrophobicContact CB-CH2 3.93Å; D328-W465 HydrophobicContact CB-CZ2 3.9Å
329L98.2Very high97.7Very high0 Ų028.4 Ų28.40%013%0.13CC..EExtended strand (participates in β ladder)trans-87.2150.1170.3-69.9175.3000111.9V198 F217 W223 F230 L321 I323 P331 V334 I452 W465V198-L329 HydrophobicContact CB-CD1 4.39Å; V198-L329 HydrophobicContact CG1-CD1 3.67Å; V198-L329 HydrophobicContact CG2-CD1 3.77Å; F217-L329 HydrophobicContact CB-CB 4.26Å; F217-L329 VanDerWaalsContact CB-O 3.29Å; F217-L329 WeakPolarHBondContact CB-O 3.36Å; F217-L329 HydrophobicContact CD2-CB 3.83Å; F217-L329 HydrophobicContact CD2-CD1 4.19Å; F217-L329 HydrophobicContact CD2-CG 4.17Å; F217-L329 HydrophobicContact CE2-CB 4.46Å; F217-L329 HydrophobicContact CE2-CD1 4.26Å; F217-L329 HydrophobicContact CE2-CG 4.32Å; F217-L329 HydrophobicContact CG-CB 4.17Å; W223-L329 HydrophobicContact CH2-CB 4.39Å; W223-L329 HydrophobicContact CH2-CD1 4.04Å; W223-L329 HydrophobicContact CZ2-CB 4.34Å; W223-L329 HydrophobicContact CZ2-CD1 4.25Å; F230-L329 HydrophobicContact CE1-CD1 4.48Å; L321-L329 HydrophobicContact CD1-CD1 4.21Å; L321-L329 HydrophobicContact CD1-CD2 3.76Å; L321-L329 HydrophobicContact CD2-CD1 4Å; L321-L329 HydrophobicContact CD2-CD2 3.72Å; L321-L329 HydrophobicContact CD2-CG 4.36Å; L321-L329 HydrophobicContact CG-CD2 4.43Å; I323-L329 HydrophobicContact CD1-CD2 3.69Å; I323-L329 HydrophobicContact CD1-CG 3.74Å; L329-P331 VanDerWaalsContact O-CD 3.29Å; L329-P331 WeakPolarHBondContact O-CD 3.46Å; L329-V334 HydrophobicContact CD2-CG2 4.22Å; L329-I452 CarbonylContact C-O 3.48Å; L329-I452 WeakPolarHBondContact CA-O 3.4Å; L329-I452 WeakPolarHBondContact CD2-O 3.24Å; L329-W465 VanDerWaalsContact O-CH2 3.3Å; L329-W465 WeakPolarHBondContact O-CH2 3.31Å
330V97.4Very high97.6Very high0 Ų033.8 Ų33.80%016%0.158CC..  trans-100.296.7170.6-177.50000108.4W332 N333 V334 I447 A451 I452 V454 I463V330-W332 HydrophobicContact CG1-CD2 3.62Å; V330-W332 HydrophobicContact CG1-CE3 4.02Å; V330-W332 HydrophobicContact CG1-CG 4.24Å; V330-W332 HydrophobicContact CG1-CH2 3.75Å; V330-W332 HydrophobicContact CG1-CZ2 3.31Å; V330-W332 HydrophobicContact CG1-CZ3 4.07Å; V330-W332 PolarHBondContact O-N 2.97Å; V330-N333 HydrophobicContact CB-CB 4.29Å; V330-N333 HydrophobicContact CG1-CB 4.01Å; V330-N333 PolarHBondContact O-N 3.38Å; V330-N333 VanDerWaalsContact O-N 3.16Å; V330-V334 WeakPolarHBondContact O-CG2 3.19Å; V330-V334 PolarHBondContact O-N 3.37Å; V330-V334 VanDerWaalsContact O-N 3.12Å; V330-I447 HydrophobicContact CG1-CG2 3.95Å; V330-I447 HydrophobicContact CG2-CD1 4.08Å; V330-I447 HydrophobicContact CG2-CG1 4.01Å; V330-I447 HydrophobicContact CG2-CG2 4.42Å; V330-A451 WeakPolarHBondContact CB-O 3.4Å; V330-I452 PolarHBondContact N-O 3.38Å; V330-V454 HydrophobicContact CG2-CG1 4Å; V330-I463 HydrophobicContact CG2-CD1 4.43Å
331P97.7Very high97.6Very high0 Ų036.6 Ų36.60%017%0.172CC..Hα-helixtrans-59.6-42.2-164.7-30.140.9000113.8F217 L222 W223 L329 N333 V334 I335F217-P331 HydrophobicContact CB-CG 4.47Å; L222-P331 HydrophobicContact CB-CB 3.92Å; L222-P331 HydrophobicContact CB-CG 3.82Å; L222-P331 HydrophobicContact CD1-CG 4.16Å; L222-P331 WeakPolarHBondContact O-CB 2.96Å; W223-P331 HydrophobicContact CD2-CB 3.92Å; W223-P331 HydrophobicContact CE3-CB 4.15Å; W223-P331 HydrophobicContact CH2-CB 4.09Å; W223-P331 HydrophobicContact CH2-CG 4.42Å; W223-P331 HydrophobicContact CZ2-CB 3.77Å; W223-P331 HydrophobicContact CZ2-CG 3.75Å; W223-P331 HydrophobicContact CZ3-CB 4.26Å; L329-P331 VanDerWaalsContact O-CD 3.29Å; L329-P331 WeakPolarHBondContact O-CD 3.46Å; P331-N333 VanDerWaalsContact C-N 3.34Å; P331-N333 PolarHBondContact O-N 2.55Å; P331-V334 PolarHBondContact O-N 3.07Å; P331-I335 WeakPolarHBondContact O-CD1 3.48Å; P331-I335 WeakPolarHBondContact O-CG1 3.28Å; P331-I335 PolarHBondContact O-N 2.88Å
332W95.9Very high97.6Very high80 Ų8041.1 Ų41.130%0.30320%0.199SC..Hα-helixtrans-65.6-34.5-178.659.289.7000113.2V330 K336 I447 I463 G468V330-W332 HydrophobicContact CG1-CD2 3.62Å; V330-W332 HydrophobicContact CG1-CE3 4.02Å; V330-W332 HydrophobicContact CG1-CG 4.24Å; V330-W332 HydrophobicContact CG1-CH2 3.75Å; V330-W332 HydrophobicContact CG1-CZ2 3.31Å; V330-W332 HydrophobicContact CG1-CZ3 4.07Å; V330-W332 PolarHBondContact O-N 2.97Å; W332-K336 WeakPolarHBondContact O-CB 3.31Å; W332-K336 PolarHBondContact O-N 3.17Å; W332-I447 HydrophobicContact CZ2-CG2 3.71Å; W332-I463 HydrophobicContact CH2-CD1 4.33Å; W332-I463 HydrophobicContact CH2-CG2 4.27Å; W332-G468 WeakPolarHBondContact CZ3-O 3.38Å
333N97Very high97.5Very high15 Ų1544.6 Ų44.68%0.0822%0.217CC..Hα-helixtrans-73.8-36.9175.9-74.2-17.3000111.4V330 P331 K336 F337 I447 G450 A451 I452V330-N333 HydrophobicContact CB-CB 4.29Å; V330-N333 HydrophobicContact CG1-CB 4.01Å; V330-N333 PolarHBondContact O-N 3.38Å; V330-N333 VanDerWaalsContact O-N 3.16Å; P331-N333 VanDerWaalsContact C-N 3.34Å; P331-N333 PolarHBondContact O-N 2.55Å; N333-K336 PolarHBondContact O-N 3.37Å; N333-F337 WeakPolarHBondContact O-CB 3.45Å; N333-F337 PolarHBondContact O-N 3.43Å; N333-I447 PolarHBondContact ND2-O 3.4Å; N333-G450 WeakPolarHBondContact ND2-CA 3.49Å; N333-A451 PolarHBondContact ND2-O 2.6Å; N333-I452 HydrophobicContact CB-CG2 3.99Å
334V98.2Very high97.5Very high5 Ų550.1 Ų50.13%0.0325%0.247CC..Hα-helixtrans-63.4-44.2172.2179.60000110.9L196 W223 L321 L329 V330 P331 F337 Y338 I452L196-V334 HydrophobicContact CD2-CG1 3.67Å; W223-V334 HydrophobicContact CH2-CB 3.91Å; W223-V334 HydrophobicContact CH2-CG1 3.97Å; W223-V334 HydrophobicContact CH2-CG2 4.1Å; W223-V334 HydrophobicContact CZ3-CB 3.74Å; W223-V334 HydrophobicContact CZ3-CG1 3.64Å; W223-V334 HydrophobicContact CZ3-CG2 4.43Å; L321-V334 HydrophobicContact CD1-CG1 4.42Å; L321-V334 HydrophobicContact CD1-CG2 4.38Å; L329-V334 HydrophobicContact CD2-CG2 4.22Å; V330-V334 WeakPolarHBondContact O-CG2 3.19Å; V330-V334 PolarHBondContact O-N 3.37Å; V330-V334 VanDerWaalsContact O-N 3.12Å; P331-V334 PolarHBondContact O-N 3.07Å; V334-F337 PolarHBondContact O-N 3.5Å; V334-Y338 WeakPolarHBondContact O-CB 3.32Å; V334-Y338 PolarHBondContact O-N 2.89Å; V334-I452 HydrophobicContact CG2-CB 3.77Å; V334-I452 HydrophobicContact CG2-CG2 4.06Å
335I98.1Very high97.5Very high15 Ų1551 Ų518%0.07726%0.255CS..Hα-helixtrans-60-47.7176.1-67.8159.5000110.8W223 S224 I226 P331 F337 Y338 K339W223-I335 HydrophobicContact CE3-CD1 4.47Å; W223-I335 HydrophobicContact CE3-CG1 4.17Å; S224-I335 WeakPolarHBondContact O-CD1 3.46Å; I226-I335 HydrophobicContact CD1-CG1 3.81Å; I226-I335 HydrophobicContact CG1-CG1 3.97Å; P331-I335 WeakPolarHBondContact O-CD1 3.48Å; P331-I335 WeakPolarHBondContact O-CG1 3.28Å; P331-I335 PolarHBondContact O-N 2.88Å; I335-F337 VanDerWaalsContact C-N 3.33Å; I335-F337 PolarHBondContact O-N 3.1Å; I335-Y338 PolarHBondContact O-N 3.22Å; I335-K339 HydrophobicContact CG2-CD 4.09Å; I335-K339 HydrophobicContact CG2-CG 4.46Å; I335-K339 WeakPolarHBondContact O-CG 3.46Å; I335-K339 PolarHBondContact O-N 2.95Å
336K97.5Very high97.7Very high128 Ų12849.4 Ų49.456%0.55725%0.247SC*.Hα-helixtrans-59.4-45.7177.7-177.9-179.4177.4-176.30111W332 N333 K339 N340W332-K336 WeakPolarHBondContact O-CB 3.31Å; W332-K336 PolarHBondContact O-N 3.17Å; N333-K336 PolarHBondContact O-N 3.37Å; K336-K339 PolarHBondContact O-N 3.31Å; K336-N340 WeakPolarHBondContact O-CB 3.46Å; K336-N340 PolarHBondContact O-N 3.4Å; K336-N340 VanDerWaalsContact O-N 3.15Å; K336-N340 PolarHBondContact O-OD1 2.86Å
337F97.6Very high97.8Very high19 Ų1947.8 Ų47.88%0.08323%0.234CC..Hα-helixtrans-58.4-50.8176175.3-100.6000111.6L319 N333 V334 I335 K339 N340 H341 L346 L349 I395 L435 I437L319-F337 HydrophobicContact CD2-CE1 4.48Å; N333-F337 WeakPolarHBondContact O-CB 3.45Å; N333-F337 PolarHBondContact O-N 3.43Å; V334-F337 PolarHBondContact O-N 3.5Å; I335-F337 VanDerWaalsContact C-N 3.33Å; I335-F337 PolarHBondContact O-N 3.1Å; F337-K339 PolarHBondContact O-N 3.14Å; F337-N340 PolarHBondContact O-N 3.19Å; F337-H341 AromaticContact CD2-CE1 3.53Å; F337-H341 AromaticContact CD2-ND1 3.94Å; F337-H341 AromaticContact CE2-CE1 3.21Å; F337-H341 WeakPolarHBondContact CE2-CE1 3.25Å; F337-H341 AromaticContact CE2-ND1 3.79Å; F337-H341 AromaticContact CE2-NE2 3.87Å; F337-H341 AromaticContact CZ-CE1 3.81Å; F337-H341 PolarHBondContact O-ND1 2.73Å; F337-L346 HydrophobicContact CE1-CD2 4.36Å; F337-L349 HydrophobicContact CE1-CD2 3.86Å; F337-L349 HydrophobicContact CZ-CD2 3.55Å; F337-I395 HydrophobicContact CD1-CD1 4.23Å; F337-I395 HydrophobicContact CE1-CD1 3.84Å; F337-I395 HydrophobicContact CZ-CD1 4.43Å; F337-L435 HydrophobicContact CE2-CD1 4.29Å; F337-L435 HydrophobicContact CZ-CD1 4.07Å; F337-I437 HydrophobicContact CB-CD1 3.98Å; F337-I437 HydrophobicContact CD1-CD1 4.47Å; F337-I437 HydrophobicContact CD2-CD1 3.19Å; F337-I437 HydrophobicContact CE2-CD1 3.72Å; F337-I437 HydrophobicContact CG-CD1 3.62Å
338Y98.3Very high97.8Very high19 Ų1950.9 Ų50.98%0.07525%0.253CS..Hα-helixtrans-57.1-49.5-179.6-175.9-84.9000111.8D195 I226 P318 L319 V334 I335 N340 H341 I343 L346D195-Y338 HydrophobicContact CB-CE1 4.17Å; D195-Y338 HydrophobicContact CB-CE2 4.12Å; D195-Y338 WeakPolarHBondContact CB-OH 3.36Å; D195-Y338 WeakPolarHBondContact O-CE2 3.45Å; D195-Y338 PolarHBondContact O-OH 3.18Å; I226-Y338 HydrophobicContact CG2-CD1 3.74Å; I226-Y338 HydrophobicContact CG2-CE1 4.12Å; I226-Y338 HydrophobicContact CG2-CG 4.39Å; P318-Y338 HydrophobicContact CG-CE2 4.11Å; P318-Y338 WeakPolarHBondContact CG-OH 3.32Å; L319-Y338 HydrophobicContact CB-CE2 4.47Å; L319-Y338 HydrophobicContact CD2-CD2 4.03Å; V334-Y338 WeakPolarHBondContact O-CB 3.32Å; V334-Y338 PolarHBondContact O-N 2.89Å; I335-Y338 PolarHBondContact O-N 3.22Å; Y338-N340 VanDerWaalsContact C-N 3.27Å; Y338-N340 PolarHBondContact O-N 2.91Å; Y338-H341 PolarHBondContact O-N 2.9Å; Y338-I343 WeakPolarHBondContact OH-CD1 3.48Å; Y338-L346 HydrophobicContact CD2-CD1 3.69Å; Y338-L346 HydrophobicContact CE1-CD1 4.35Å; Y338-L346 HydrophobicContact CE2-CD1 3.47Å; Y338-L346 VanDerWaalsContact CE2-CD1 3.47Å; Y338-L346 HydrophobicContact CG-CD1 4.22Å
339K97.5Very high97.8Very high113 Ų11351.4 Ų51.449%0.49126%0.256SS..Hα-helixtrans-67.5-24.1-177.4-73.2-174.4170.7-170.50114.2I335 K336 F337 H341I335-K339 HydrophobicContact CG2-CD 4.09Å; I335-K339 HydrophobicContact CG2-CG 4.46Å; I335-K339 WeakPolarHBondContact O-CG 3.46Å; I335-K339 PolarHBondContact O-N 2.95Å; K336-K339 PolarHBondContact O-N 3.31Å; F337-K339 PolarHBondContact O-N 3.14Å; K339-H341 PolarHBondContact O-N 2.79Å
340N97.5Very high97.7Very high116 Ų11651.7 Ų51.762%0.6226%0.258SS*.THydrogen-bonded Turntrans-81.1-0.8179.5-75.2-2.5000113.4K336 F337 Y338K336-N340 WeakPolarHBondContact O-CB 3.46Å; K336-N340 PolarHBondContact O-N 3.4Å; K336-N340 VanDerWaalsContact O-N 3.15Å; K336-N340 PolarHBondContact O-OD1 2.86Å; F337-N340 PolarHBondContact O-N 3.19Å; Y338-N340 VanDerWaalsContact C-N 3.27Å; Y338-N340 PolarHBondContact O-N 2.91Å
341H98.1Very high97.7Very high65 Ų6551.7 Ų51.730%0.30126%0.258SS..SBendtrans-123.9144.9-179.9-63.882000110.8F337 Y338 K339 L346F337-H341 AromaticContact CD2-CE1 3.53Å; F337-H341 AromaticContact CD2-ND1 3.94Å; F337-H341 AromaticContact CE2-CE1 3.21Å; F337-H341 WeakPolarHBondContact CE2-CE1 3.25Å; F337-H341 AromaticContact CE2-ND1 3.79Å; F337-H341 AromaticContact CE2-NE2 3.87Å; F337-H341 AromaticContact CZ-CE1 3.81Å; F337-H341 PolarHBondContact O-ND1 2.73Å; Y338-H341 PolarHBondContact O-N 2.9Å; K339-H341 PolarHBondContact O-N 2.79Å; H341-L346 HydrophobicContact CB-CD2 3.61Å; H341-L346 HydrophobicContact CB-CG 3.84Å
342T98.2Very high97.7Very high95 Ų9551.7 Ų51.758%0.58326%0.258SS*.  trans-72156.717264.20000110.7D344 C345 L346T342-D344 VanDerWaalsContact C-N 3.28Å; T342-D344 PolarHBondContact O-N 3.01Å; T342-C345 WeakPolarHBondContact O-CB 3.43Å; T342-C345 PolarHBondContact O-N 3.08Å; T342-C345 VanDerWaalsContact O-N 3.13Å; T342-C345 WeakPolarHBondContact OG1-CB 3.45Å; T342-C345 PolarHBondContact OG1-N 2.77Å; T342-L346 WeakPolarHBondContact O-CG 3.23Å; T342-L346 PolarHBondContact O-N 2.94Å
343I98Very high97.7Very high82 Ų8249.2 Ų49.242%0.42125%0.25SC..Hα-helixtrans-55.8-42.8177.3-63.5-59000111.7P318 Y338 C345 L346 R347P318-I343 HydrophobicContact CB-CD1 4.41Å; P318-I343 HydrophobicContact CB-CG2 4.17Å; P318-I343 HydrophobicContact CG-CD1 4.24Å; Y338-I343 WeakPolarHBondContact OH-CD1 3.48Å; I343-C345 PolarHBondContact O-N 3.3Å; I343-L346 HydrophobicContact CD1-CD1 4.44Å; I343-L346 PolarHBondContact O-N 2.78Å; I343-R347 HydrophobicContact CG2-CG 4.34Å; I343-R347 WeakPolarHBondContact O-CG 3.11Å; I343-R347 PolarHBondContact O-N 3.09Å
344D97.9Very high97.6Very high120 Ų12051.7 Ų51.764%0.64226%0.258SS*.Hα-helixtrans-62.5-42.8178.3-64.1-28.8000111.9T342 L346 R347 D348T342-D344 VanDerWaalsContact C-N 3.28Å; T342-D344 PolarHBondContact O-N 3.01Å; D344-L346 VanDerWaalsContact C-N 3.34Å; D344-L346 PolarHBondContact O-N 3.29Å; D344-R347 PolarHBondContact O-N 3.27Å; D344-D348 PolarHBondContact O-N 2.81Å
345C98Very high97.2Very high53 Ų5353.8 Ų53.836%0.35827%0.268SS..Hα-helixtrans-61.1-44175.3-178.70000111.6T342 I343 R347 D348 L349T342-C345 WeakPolarHBondContact O-CB 3.43Å; T342-C345 PolarHBondContact O-N 3.08Å; T342-C345 VanDerWaalsContact O-N 3.13Å; T342-C345 WeakPolarHBondContact OG1-CB 3.45Å; T342-C345 PolarHBondContact OG1-N 2.77Å; I343-C345 PolarHBondContact O-N 3.3Å; C345-R347 VanDerWaalsContact C-N 3.32Å; C345-R347 PolarHBondContact O-N 3.37Å; C345-D348 PolarHBondContact O-N 2.9Å; C345-L349 WeakPolarHBondContact O-CB 3.35Å; C345-L349 PolarHBondContact O-N 2.67Å; C345-L349 VanDerWaalsContact O-N 3.1Å
346L98.4Very high96.6Very high0 Ų059.4 Ų59.40%029%0.291CS..Hα-helixtrans-61.8-39179-69.8178.9000112.3P318 L319 F337 Y338 H341 T342 I343 D344 D348 L349 G397P318-L346 HydrophobicContact CB-CB 4.32Å; L319-L346 HydrophobicContact CD1-CB 4.25Å; L319-L346 HydrophobicContact CD1-CD2 4.19Å; L319-L346 WeakPolarHBondContact CD1-O 3.36Å; L319-L346 HydrophobicContact CD2-CD2 3.92Å; F337-L346 HydrophobicContact CE1-CD2 4.36Å; Y338-L346 HydrophobicContact CD2-CD1 3.69Å; Y338-L346 HydrophobicContact CE1-CD1 4.35Å; Y338-L346 HydrophobicContact CE2-CD1 3.47Å; Y338-L346 VanDerWaalsContact CE2-CD1 3.47Å; Y338-L346 HydrophobicContact CG-CD1 4.22Å; H341-L346 HydrophobicContact CB-CD2 3.61Å; H341-L346 HydrophobicContact CB-CG 3.84Å; T342-L346 WeakPolarHBondContact O-CG 3.23Å; T342-L346 PolarHBondContact O-N 2.94Å; I343-L346 HydrophobicContact CD1-CD1 4.44Å; I343-L346 PolarHBondContact O-N 2.78Å; D344-L346 VanDerWaalsContact C-N 3.34Å; D344-L346 PolarHBondContact O-N 3.29Å; L346-D348 VanDerWaalsContact C-N 3.3Å; L346-D348 PolarHBondContact O-N 2.72Å; L346-L349 WeakPolarHBondContact O-CB 3.08Å; L346-L349 PolarHBondContact O-N 3.09Å; L346-G397 WeakPolarHBondContact O-CA 3.44Å
347R98.4Very high95.9Very high47 Ų4757.9 Ų57.918%0.17729%0.289CS..Hα-helixtrans-67.8-27.4-177.4-70.8171.766.385.66114.2N315 P318 I343 D344 C345 G397 S398 N399N315-R347 PolarHBondContact O-NH1 2.79Å; P318-R347 HydrophobicContact CB-CG 3.91Å; P318-R347 WeakPolarHBondContact O-CA 3.31Å; I343-R347 HydrophobicContact CG2-CG 4.34Å; I343-R347 WeakPolarHBondContact O-CG 3.11Å; I343-R347 PolarHBondContact O-N 3.09Å; D344-R347 PolarHBondContact O-N 3.27Å; C345-R347 VanDerWaalsContact C-N 3.32Å; C345-R347 PolarHBondContact O-N 3.37Å; R347-G397 CarbonylContact O-C 3.56Å; R347-G397 WeakPolarHBondContact O-CA 3.49Å; R347-S398 PolarHBondContact O-N 2.88Å; R347-N399 PolarHBondContact NH2-OD1 2.86Å; R347-N399 WeakPolarHBondContact O-CB 3.43Å; R347-N399 PolarHBondContact O-N 3.49Å
348D97.6Very high95.6Very high95 Ų9557.3 Ų57.351%0.50829%0.288SS..THydrogen-bonded Turntrans-105.74.4178.6-66.6-39.1000113.2D344 C345 L346 N399D344-D348 PolarHBondContact O-N 2.81Å; C345-D348 PolarHBondContact O-N 2.9Å; L346-D348 VanDerWaalsContact C-N 3.3Å; L346-D348 PolarHBondContact O-N 2.72Å; D348-N399 VanDerWaalsContact OD1-CB 3.23Å; D348-N399 WeakPolarHBondContact OD1-CB 3.46Å; D348-N399 PolarHBondContact OD1-ND2 3.39Å
349L97.6Very high95.3Very high13 Ų1362.5 Ų62.57%0.06831%0.314CS..  trans-67.4138.9-178-176.768.8000111.8L319 F337 C345 L346 I395 G397L319-L349 HydrophobicContact CD1-CD2 4.2Å; F337-L349 HydrophobicContact CE1-CD2 3.86Å; F337-L349 HydrophobicContact CZ-CD2 3.55Å; C345-L349 WeakPolarHBondContact O-CB 3.35Å; C345-L349 PolarHBondContact O-N 2.67Å; C345-L349 VanDerWaalsContact O-N 3.1Å; L346-L349 WeakPolarHBondContact O-CB 3.08Å; L346-L349 PolarHBondContact O-N 3.09Å; L349-I395 HydrophobicContact CD2-CG2 3.9Å; L349-G397 PolarHBondContact O-N 3.38Å
350T97.8Very high95Very high6 Ų657.4 Ų57.44%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-123.4136.3154.959.90000108.4L396 I400 F425 I430 R433T350-L396 HydrophobicContact CG2-CD2 4.13Å; T350-I400 HydrophobicContact CG2-CB 4.42Å; T350-I400 HydrophobicContact CG2-CD1 4.28Å; T350-I400 HydrophobicContact CG2-CG1 3.92Å; T350-I400 HydrophobicContact CG2-CG2 3.81Å; T350-F425 HydrophobicContact CG2-CE1 3.98Å; T350-F425 HydrophobicContact CG2-CZ 4.35Å; T350-I430 HydrophobicContact CG2-CG2 3.82Å; T350-R433 WeakPolarHBondContact O-CB 3.26Å
351G97.6Very high94.8Very high0 Ų055.3 Ų55.30%028%0.281CS..EExtended strand (participates in β ladder)trans-158.4136.9-177.600000113.5Y394 I395 R433 L435G351-Y394 CarbonylContact O-C 3.56Å; G351-Y394 VanDerWaalsContact O-CA 3.29Å; G351-Y394 WeakPolarHBondContact O-CA 3.41Å; G351-Y394 WeakPolarHBondContact O-CB 3.47Å; G351-I395 PolarHBondContact N-O 3.04Å; G351-I395 PolarHBondContact O-N 3.21Å; G351-R433 WeakPolarHBondContact CA-O 3.27Å; G351-L435 VanDerWaalsContact CA-CD1 3.48Å
352G97.6Very high94.4Very high0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans178.1-172.2-178.300000110.6R354 F389 R433 N434 L435G352-R354 PolarHBondContact O-N 3.43Å; G352-F389 VanDerWaalsContact CA-CD1 3.5Å; G352-R433 PolarHBondContact N-O 3.38Å; G352-N434 CarbonylContact O-C 3.34Å; G352-N434 VanDerWaalsContact O-CA 3.28Å; G352-N434 WeakPolarHBondContact O-CA 3.34Å; G352-N434 PolarHBondContact O-OD1 3.3Å; G352-L435 PolarHBondContact O-N 3.27Å
353I95.6Very high94.1Very high27 Ų2749.9 Ų49.914%0.13825%0.248CC..EExtended strand (participates in β ladder)trans-85.8111.1171.9-54.6172.9000107.9H355 F389 Y390 I438 S439 L440I353-H355 PolarHBondContact O-N 3.33Å; I353-F389 VanDerWaalsContact O-CA 3.29Å; I353-F389 WeakPolarHBondContact O-CA 3.41Å; I353-Y390 HydrophobicContact CB-CD2 3.77Å; I353-Y390 HydrophobicContact CG2-CD2 3.49Å; I353-Y390 VanDerWaalsContact CG2-CD2 3.49Å; I353-Y390 HydrophobicContact CG2-CE2 3.79Å; I353-Y390 WeakPolarHBondContact O-CD2 3.35Å; I353-Y390 PolarHBondContact O-N 3.46Å; I353-Y390 VanDerWaalsContact O-N 3.11Å; I353-I438 HydrophobicContact CD1-CG2 4Å; I353-I438 HydrophobicContact CG1-CB 4.09Å; I353-I438 HydrophobicContact CG1-CG2 3.7Å; I353-I438 WeakPolarHBondContact CG1-O 3.48Å; I353-S439 VanDerWaalsContact CD1-C 3.46Å; I353-S439 VanDerWaalsContact CD1-CA 3.46Å; I353-L440 HydrophobicContact CD1-CB 4.43Å; I353-L440 HydrophobicContact CD1-CD2 3.77Å; I353-L440 HydrophobicContact CD1-CG 3.64Å
354R93.6Very high93.4Very high67 Ų6747.8 Ų47.825%0.25324%0.24SC..EExtended strand (participates in β ladder)trans-82.8116.1-171.4-173.6-171.4179-177.2-6.8111.9G352 K356 P387 Y388 P432 N434G352-R354 PolarHBondContact O-N 3.43Å; R354-K356 HydrophobicContact CG-CG 4Å; R354-P387 HydrophobicContact CG-CB 4.44Å; R354-Y388 WeakPolarHBondContact CA-O 3.37Å; R354-P432 WeakPolarHBondContact CD-O 3.43Å; R354-P432 HydrophobicContact CG-CG 4.43Å; R354-P432 PolarHBondContact NE-O 3.41Å; R354-N434 HydrophobicContact CB-CB 4.23Å; R354-N434 PolarHBondContact N-OD1 2.96Å
355H90Very high92.4Very high50 Ų5048 Ų4823%0.23123%0.233CC..EExtended strand (participates in β ladder)trans-86.1119.5163.8-155.9-55.4000109.7I353 S358 P387 Y388 Y390I353-H355 PolarHBondContact O-N 3.33Å; H355-S358 PolarHBondContact CE1-OG 3.34Å; H355-S358 VanDerWaalsContact CG-OG 3.23Å; H355-S358 PolarHBondContact ND1-OG 2.94Å; H355-P387 WeakPolarHBondContact O-CA 3.3Å; H355-Y388 HydrophobicContact CB-CD2 4.13Å; H355-Y388 HydrophobicContact CB-CE1 4.39Å; H355-Y388 HydrophobicContact CB-CE2 3.82Å; H355-Y388 PolarHBondContact N-O 3.26Å; H355-Y388 PolarHBondContact O-N 3.38Å; H355-Y388 VanDerWaalsContact O-N 3.13Å; H355-Y390 HydrophobicContact CB-CE2 4.11Å; H355-Y390 AromaticContact CD2-CE2 3.9Å; H355-Y390 AromaticContact CD2-CZ 3.45Å; H355-Y390 VanDerWaalsContact CD2-CZ 3.45Å; H355-Y390 PolarHBondContact CD2-OH 2.85Å
356K86.3Confident91.6Very high133 Ų13350.4 Ų50.458%0.57824%0.242SC*.  trans-96.3-29.4-171.6-69.9-179-177.1173.70115.3R354R354-K356 HydrophobicContact CG-CG 4Å
357N83.1Confident90.6Very high95 Ų9553.1 Ų53.151%0.50827%0.27SS..  trans-144.269.2-169.7-171.122.1000111.3R384N357-R384 WeakPolarHBondContact OD1-CD 3.43Å; N357-R384 PolarHBondContact OD1-NE 3.26Å
358S90.6Very high90.2Very high8 Ų855.5 Ų55.56%0.05629%0.287CS..  trans-89.1124.2178.7-49.70000110.8H355 R384 Y385 Y388H355-S358 PolarHBondContact CE1-OG 3.34Å; H355-S358 VanDerWaalsContact CG-OG 3.23Å; H355-S358 PolarHBondContact ND1-OG 2.94Å; S358-R384 VanDerWaalsContact O-CA 3.28Å; S358-R384 WeakPolarHBondContact O-CA 3.41Å; S358-Y385 PolarHBondContact O-N 3.35Å; S358-Y388 WeakPolarHBondContact CB-OH 3.21Å; S358-Y388 WeakPolarHBondContact OG-CE1 3.14Å; S358-Y388 PolarHBondContact OG-OH 2.77Å
359M91.1Very high90Very high127 Ų12755.6 Ų55.663%0.62629%0.286SS*.BIsolated β-bridgetrans-73.3139.2166.8-170.5175.1-78.900109.9I361 S383M359-I361 PolarHBondContact O-N 3.43Å; M359-S383 WeakPolarHBondContact CA-O 3Å
360V91.6Very high89.9Confident7 Ų755.2 Ų55.24%0.04228%0.284CS..  trans-77116175.1-179.70000108.4R362 V375 F380 W382 S383 Y385V360-R362 PolarHBondContact O-N 3.5Å; V360-V375 HydrophobicContact CG1-CB 4.09Å; V360-F380 HydrophobicContact CG2-CD1 3.71Å; V360-F380 HydrophobicContact CG2-CE1 3.7Å; V360-W382 VanDerWaalsContact CG2-O 3.29Å; V360-W382 WeakPolarHBondContact CG2-O 3.42Å; V360-S383 PolarHBondContact N-O 3.09Å; V360-Y385 HydrophobicContact CB-CE2 4.23Å; V360-Y385 HydrophobicContact CG1-CE1 4.42Å; V360-Y385 HydrophobicContact CG1-CE2 4.37Å; V360-Y385 HydrophobicContact CG2-CD1 3.85Å; V360-Y385 HydrophobicContact CG2-CD2 3.84Å; V360-Y385 HydrophobicContact CG2-CE1 3.72Å; V360-Y385 HydrophobicContact CG2-CE2 3.72Å; V360-Y385 HydrophobicContact CG2-CG 3.91Å
361I93.2Very high89.7Confident71 Ų7157.3 Ų57.336%0.36430%0.299SS..PPolyproline II helixtrans-68.6129.9172.6-61.3171.2000107.9M359 W373 A374 V375M359-I361 PolarHBondContact O-N 3.43Å; I361-W373 HydrophobicContact CD1-CB 3.9Å; I361-W373 HydrophobicContact CD1-CE3 4.06Å; I361-A374 HydrophobicContact CG2-CB 3.9Å; I361-A374 CarbonylContact O-C 3.53Å; I361-A374 VanDerWaalsContact O-CA 3.26Å; I361-A374 WeakPolarHBondContact O-CA 3.32Å; I361-V375 PolarHBondContact O-N 3.11Å
362R90.9Very high89.6Confident41 Ų4158.7 Ų58.716%0.15531%0.306CS..PPolyproline II helixtrans-100150.8177-63-56.5-173.8-174.8-0.8111.1V360 V375 M376 F380 P381 W382V360-R362 PolarHBondContact O-N 3.5Å; R362-V375 WeakPolarHBondContact CD-O 3.27Å; R362-V375 PolarHBondContact NH1-O 2.81Å; R362-M376 PolarHBondContact NH1-O 2.92Å; R362-F380 VanDerWaalsContact CZ-O 3.29Å; R362-F380 PolarHBondContact NH1-O 2.58Å; R362-F380 PolarHBondContact NH2-O 3.38Å; R362-P381 PolarHBondContact NH2-O 2.66Å; R362-W382 PolarHBondContact NH2-O 3.32Å
363P91.1Very high89.5Confident6 Ų665.7 Ų65.74%0.03933%0.333CS..PPolyproline II helixtrans-59.3154.8175.4-24.735.1000112.3N250 F252 Y365 S370 A374 M376N250-P363 HydrophobicContact CB-CB 3.84Å; N250-P363 HydrophobicContact CB-CG 4.47Å; N250-P363 WeakPolarHBondContact OD1-CB 3.03Å; F252-P363 HydrophobicContact CZ-CG 4.27Å; P363-Y365 WeakPolarHBondContact O-CE2 3.5Å; P363-S370 WeakPolarHBondContact CA-OG 3.33Å; P363-S370 WeakPolarHBondContact CB-OG 3.24Å; P363-A374 HydrophobicContact CG-CB 4.21Å; P363-M376 HydrophobicContact CG-CG 4.09Å
364S82.7Confident89.5Confident38 Ų3864.4 Ų64.427%0.26633%0.326SS..PPolyproline II helixtrans-72.6127.6174.4-155.90000110.1N250 D366 S370N250-S364 PolarHBondContact OD1-O 3.36Å; S364-D366 VanDerWaalsContact CB-OD1 3.31Å; S364-D366 WeakPolarHBondContact CB-OD1 3.38Å; S364-D366 PolarHBondContact OG-OD1 2.77Å; S364-D366 PolarHBondContact OG-OD2 2.95Å; S364-S370 PolarHBondContact N-OG 2.88Å
365Y77Confident89.4Confident124 Ų12461.2 Ų61.249%0.48631%0.314SS..THydrogen-bonded Turntrans-87.8-10.2-177.3-62.4-78.7000113.7I128 P363 G367I128-Y365 HydrophobicContact CD1-CD1 3.95Å; I128-Y365 HydrophobicContact CD1-CE1 3.53Å; I128-Y365 HydrophobicContact CG1-CE1 4.12Å; I128-Y365 HydrophobicContact CG2-CE1 4.12Å; I128-Y365 HydrophobicContact CG2-CE2 4.13Å; P363-Y365 WeakPolarHBondContact O-CE2 3.5Å; Y365-G367 PolarHBondContact O-N 3.21Å
366D81.6Confident89.3Confident104 Ų10459.6 Ų59.656%0.55631%0.307SS*.THydrogen-bonded Turntrans-80.12.8177.761.43.5000113.8S364 N368S364-D366 VanDerWaalsContact CB-OD1 3.31Å; S364-D366 WeakPolarHBondContact CB-OD1 3.38Å; S364-D366 PolarHBondContact OG-OD1 2.77Å; S364-D366 PolarHBondContact OG-OD2 2.95Å; D366-N368 VanDerWaalsContact C-N 3.29Å; D366-N368 PolarHBondContact O-N 3.42Å; D366-N368 WeakPolarHBondContact OD1-CB 3.05Å; D366-N368 PolarHBondContact OD1-N 3.04Å; D366-N368 PolarHBondContact OD1-ND2 3.07Å; D366-N368 PolarHBondContact OD2-ND2 2.98Å
367G78.6Confident89.3Confident57 Ų5754.4 Ų54.459%0.58829%0.285SS*.SBendtrans82.10.3-176.400000114.7Y365Y365-G367 PolarHBondContact O-N 3.21Å
368N89.7Confident89.3Confident97 Ų9755.4 Ų55.452%0.51929%0.285SS..SBendtrans-68.7164.3174.5-73-35.8000112.2D366 S370D366-N368 VanDerWaalsContact C-N 3.29Å; D366-N368 PolarHBondContact O-N 3.42Å; D366-N368 WeakPolarHBondContact OD1-CB 3.05Å; D366-N368 PolarHBondContact OD1-N 3.04Å; D366-N368 PolarHBondContact OD1-ND2 3.07Å; D366-N368 PolarHBondContact OD2-ND2 2.98Å; N368-S370 PolarHBondContact O-N 3.09Å; N368-S370 VanDerWaalsContact O-N 3.11Å
369I92.5Very high89.2Confident96 Ų9655.7 Ų55.749%0.49229%0.286SS..PPolyproline II helixtrans-61.7117.2174.5-61.1175.5000108.4M244 K253M244-I369 HydrophobicContact CE-CD1 4.3Å; M244-I369 HydrophobicContact CE-CG1 4.39Å; K253-I369 HydrophobicContact CB-CD1 4.16Å; K253-I369 HydrophobicContact CB-CG2 3.63Å; K253-I369 HydrophobicContact CD-CD1 4.19Å
370S94.6Very high89Confident5 Ų549.9 Ų49.94%0.03526%0.257CS..BIsolated β-bridgetrans-74152.2177-65.10000111.3K251 P363 S364 N368 I372K251-S370 WeakPolarHBondContact O-CB 3.19Å; K251-S370 PolarHBondContact O-N 3.2Å; P363-S370 WeakPolarHBondContact CA-OG 3.33Å; P363-S370 WeakPolarHBondContact CB-OG 3.24Å; S364-S370 PolarHBondContact N-OG 2.88Å; N368-S370 PolarHBondContact O-N 3.09Å; N368-S370 VanDerWaalsContact O-N 3.11Å; S370-I372 PolarHBondContact O-N 3.49Å
371S94.6Very high88.5Confident50 Ų5050 Ų5035%0.3526%0.258SS..PPolyproline II helixtrans-53.3139.6169.9174.10000110.7F252 W373 A374F252-S371 VanDerWaalsContact CD1-O 3.24Å; F252-S371 WeakPolarHBondContact CD1-O 3.45Å; F252-S371 VanDerWaalsContact CE1-O 3.31Å; F252-S371 WeakPolarHBondContact CE1-O 3.42Å; S371-W373 PolarHBondContact O-N 3.19Å; S371-W373 VanDerWaalsContact O-N 3.1Å; S371-W373 PolarHBondContact OG-N 3.29Å; S371-A374 WeakPolarHBondContact O-CB 3.15Å; S371-A374 PolarHBondContact O-N 3.03Å
372I95.1Very high88.1Confident29 Ų2948 Ų4815%0.14925%0.246CC..THydrogen-bonded Turntrans-60.9-18.9173.661.4168.9000112.6K253 L254 Y295 F296 S370K253-I372 WeakPolarHBondContact O-CG2 3.41Å; L254-I372 HydrophobicContact CD2-CG2 4.12Å; Y295-I372 HydrophobicContact CD1-CB 4.46Å; Y295-I372 HydrophobicContact CD1-CD1 4.44Å; Y295-I372 HydrophobicContact CE1-CB 4.18Å; Y295-I372 HydrophobicContact CE1-CD1 3.99Å; Y295-I372 HydrophobicContact CE1-CG1 4.26Å; F296-I372 HydrophobicContact CE1-CB 4.37Å; F296-I372 HydrophobicContact CZ-CB 4.32Å; F296-I372 HydrophobicContact CZ-CG2 4.23Å; S370-I372 PolarHBondContact O-N 3.49Å
373W95.5Very high87.9Confident147 Ų14747.2 Ų47.256%0.55725%0.247SC*.THydrogen-bonded Turntrans-91.7-0176.2-55.1-33.8000113.3Y295 I361 S371Y295-W373 PolarHBondContact OH-NE1 2.86Å; Y295-W373 VanDerWaalsContact OH-NE1 3.07Å; I361-W373 HydrophobicContact CD1-CB 3.9Å; I361-W373 HydrophobicContact CD1-CE3 4.06Å; S371-W373 PolarHBondContact O-N 3.19Å; S371-W373 VanDerWaalsContact O-N 3.1Å; S371-W373 PolarHBondContact OG-N 3.29Å
374A95Very high87.8Confident0 Ų052 Ų520%026%0.264CS..  trans-76133.2-179.400000112.2F252 I361 P363 S371 R415F252-A374 HydrophobicContact CE1-CB 3.93Å; F252-A374 WeakPolarHBondContact CE1-O 3.28Å; I361-A374 HydrophobicContact CG2-CB 3.9Å; I361-A374 CarbonylContact O-C 3.53Å; I361-A374 VanDerWaalsContact O-CA 3.26Å; I361-A374 WeakPolarHBondContact O-CA 3.32Å; P363-A374 HydrophobicContact CG-CB 4.21Å; S371-A374 WeakPolarHBondContact O-CB 3.15Å; S371-A374 PolarHBondContact O-N 3.03Å; A374-R415 PolarHBondContact O-NH2 3.26Å; A374-R415 VanDerWaalsContact O-NH2 3.08Å
375V92.7Very high88.2Confident0 Ų050.6 Ų50.60%025%0.253CS..  trans-121130.6-176.9174.20000110.2V360 I361 R362 E379 F380 Y385 I416V360-V375 HydrophobicContact CG1-CB 4.09Å; I361-V375 PolarHBondContact O-N 3.11Å; R362-V375 WeakPolarHBondContact CD-O 3.27Å; R362-V375 PolarHBondContact NH1-O 2.81Å; V375-E379 HydrophobicContact CG1-CB 3.54Å; V375-E379 HydrophobicContact CG1-CG 4.46Å; V375-F380 HydrophobicContact CG1-CB 3.86Å; V375-Y385 WeakPolarHBondContact CB-OH 3.45Å; V375-Y385 WeakPolarHBondContact CG2-OH 3.32Å; V375-I416 HydrophobicContact CG2-CD1 4.49Å; V375-I416 HydrophobicContact CG2-CG1 3.56Å
376M88.4Confident88.9Confident16 Ų1644.8 Ų44.88%0.07923%0.23CC..  trans-71.8153.5-178.8-62.3174.9-71.800110.9F247 R362 P363 K378 E379 F380F247-M376 VanDerWaalsContact C-SD 3.58Å; F247-M376 HydrophobicContact CB-CE 3.58Å; F247-M376 HydrophobicContact CB-SD 3.83Å; F247-M376 HydrophobicContact CG-CE 4.46Å; F247-M376 VanDerWaalsContact O-SD 3.34Å; R362-M376 PolarHBondContact NH1-O 2.92Å; P363-M376 HydrophobicContact CG-CG 4.09Å; M376-K378 HydrophobicContact CB-CG 3.87Å; M376-K378 HydrophobicContact CE-CD 4.26Å; M376-K378 HydrophobicContact CE-CG 4.13Å; M376-K378 PolarHBondContact O-N 2.93Å; M376-K378 HydrophobicContact SD-CD 4.37Å; M376-K378 WeakPolarHBondContact SD-CE 3.4Å; M376-K378 HydrophobicContact SD-CG 4.3Å; M376-E379 HydrophobicContact CB-CG 4.3Å; M376-E379 VanDerWaalsContact CE-CD 3.47Å; M376-E379 HydrophobicContact CE-CG 3.78Å; M376-E379 WeakPolarHBondContact CE-OE2 3.41Å; M376-E379 PolarHBondContact N-OE2 2.81Å; M376-E379 WeakPolarHBondContact O-CB 3.31Å; M376-E379 PolarHBondContact O-N 3.14Å; M376-F380 PolarHBondContact O-N 2.82Å
377L85Confident89.5Confident24 Ų2441 Ų4113%0.12621%0.211CC..THydrogen-bonded Turntrans-55.3-34.8172.9-72.9167.9000112Y121 T125 I128 E379 F380Y121-L377 PolarHBondContact OH-O 2.71Å; Y121-L377 VanDerWaalsContact OH-O 3.06Å; T125-L377 HydrophobicContact CG2-CB 3.99Å; T125-L377 WeakPolarHBondContact CG2-O 3.31Å; I128-L377 HydrophobicContact CG1-CD1 4.46Å; L377-E379 VanDerWaalsContact C-N 3.25Å; L377-E379 PolarHBondContact O-N 3.02Å; L377-F380 CarbonylContact O-C 3.45Å; L377-F380 PolarHBondContact O-N 2.97Å
378K82.8Confident90.3Very high116 Ų11639.6 Ų39.650%0.50419%0.188SC..THydrogen-bonded Turntrans-67.4-20.8176.874.8169.1-178.3176.20115Y121 M376Y121-K378 WeakPolarHBondContact OH-CA 3.4Å; Y121-K378 PolarHBondContact OH-O 2.96Å; M376-K378 HydrophobicContact CB-CG 3.87Å; M376-K378 HydrophobicContact CE-CD 4.26Å; M376-K378 HydrophobicContact CE-CG 4.13Å; M376-K378 PolarHBondContact O-N 2.93Å; M376-K378 HydrophobicContact SD-CD 4.37Å; M376-K378 WeakPolarHBondContact SD-CE 3.4Å; M376-K378 HydrophobicContact SD-CG 4.3Å
379E88.6Confident90.7Very high14 Ų1435 Ų357%0.06516%0.164CC..THydrogen-bonded Turntrans-89.9-44.3175.8-68.8174.3106.200109.7F146 V375 M376 L377 Q412 I414 R415F146-E379 WeakPolarHBondContact CE1-O 3.29Å; V375-E379 HydrophobicContact CG1-CB 3.54Å; V375-E379 HydrophobicContact CG1-CG 4.46Å; M376-E379 HydrophobicContact CB-CG 4.3Å; M376-E379 VanDerWaalsContact CE-CD 3.47Å; M376-E379 HydrophobicContact CE-CG 3.78Å; M376-E379 WeakPolarHBondContact CE-OE2 3.41Å; M376-E379 PolarHBondContact N-OE2 2.81Å; M376-E379 WeakPolarHBondContact O-CB 3.31Å; M376-E379 PolarHBondContact O-N 3.14Å; L377-E379 VanDerWaalsContact C-N 3.25Å; L377-E379 PolarHBondContact O-N 3.02Å; E379-Q412 WeakPolarHBondContact O-CG 3.03Å; E379-I414 HydrophobicContact CB-CB 4.4Å; E379-I414 HydrophobicContact CB-CG2 4Å; E379-I414 VanDerWaalsContact O-CG2 3.23Å; E379-I414 WeakPolarHBondContact O-CG2 3.36Å; E379-R415 WeakPolarHBondContact OE1-CG 3.21Å; E379-R415 IonicContact OE1-CZ 2.82Å; E379-R415 IonicContact OE1-NE 3.92Å; E379-R415 PolarHBondContact OE1-NE 3.28Å; E379-R415 IonicContact OE1-NH2 3.58Å; E379-R415 PolarHBondContact OE1-NH2 3.42Å; E379-R415 IonicContact OE2-CZ 3.32Å; E379-R415 IonicContact OE2-NE 3.04Å; E379-R415 IonicContact OE2-NH2 3.55Å; E379-R415 PolarHBondContact OE2-NH2 2.92Å
380F88.3Confident90.8Very high5 Ų534.4 Ų34.42%0.02216%0.156CC..  trans-153.4115179.8-171.4-105.9000110.6F146 V360 R362 V375 M376 L377 W382 R384 Y385 I414 I423F146-F380 HydrophobicContact CD1-CD2 4.34Å; V360-F380 HydrophobicContact CG2-CD1 3.71Å; V360-F380 HydrophobicContact CG2-CE1 3.7Å; R362-F380 VanDerWaalsContact CZ-O 3.29Å; R362-F380 PolarHBondContact NH1-O 2.58Å; R362-F380 PolarHBondContact NH2-O 3.38Å; V375-F380 HydrophobicContact CG1-CB 3.86Å; M376-F380 PolarHBondContact O-N 2.82Å; L377-F380 CarbonylContact O-C 3.45Å; L377-F380 PolarHBondContact O-N 2.97Å; F380-W382 HydrophobicContact CD1-CB 4.28Å; F380-W382 WeakPolarHBondContact CD1-O 3.46Å; F380-W382 HydrophobicContact CE1-CB 3.62Å; F380-W382 HydrophobicContact CE1-CG 4.24Å; F380-W382 AromaticContact CE2-CD1 3.68Å; F380-W382 HydrophobicContact CZ-CB 3.88Å; F380-W382 AromaticContact CZ-CD1 3.5Å; F380-W382 HydrophobicContact CZ-CG 4.08Å; F380-R384 WeakPolarHBondContact CE1-O 3.45Å; F380-Y385 AromaticContact CD1-CD1 3.89Å; F380-Y385 HydrophobicContact CD1-CD1 3.89Å; F380-Y385 AromaticContact CD1-CE1 3.72Å; F380-Y385 HydrophobicContact CD1-CE1 3.72Å; F380-Y385 AromaticContact CE1-CD1 3.6Å; F380-Y385 HydrophobicContact CE1-CD1 3.6Å; F380-Y385 AromaticContact CE1-CE1 3.94Å; F380-Y385 HydrophobicContact CE1-CE1 3.94Å; F380-Y385 HydrophobicContact CE1-CG 4.47Å; F380-Y385 HydrophobicContact CG-CD1 4.46Å; F380-Y385 HydrophobicContact CG-CE1 4.15Å; F380-Y385 AromaticContact CZ-CD1 3.97Å; F380-Y385 HydrophobicContact CZ-CD1 3.97Å; F380-I414 HydrophobicContact CB-CG2 4.23Å; F380-I423 HydrophobicContact CD2-CD1 3.51Å; F380-I423 HydrophobicContact CD2-CG1 4.29Å; F380-I423 HydrophobicContact CE2-CD1 3.54Å; F380-I423 HydrophobicContact CE2-CG1 3.79Å; F380-I423 HydrophobicContact CG-CD1 4.39Å; F380-I423 HydrophobicContact CZ-CD1 4.41Å; F380-I423 HydrophobicContact CZ-CG1 4.48Å
381P81.3Confident90.8Very high10 Ų1034.6 Ų34.67%0.06516%0.159CC..  trans-78.9-24.1-171.526.1-31.8000114Y121 F146 R362Y121-P381 HydrophobicContact CD2-CB 3.98Å; Y121-P381 HydrophobicContact CD2-CG 3.81Å; Y121-P381 HydrophobicContact CE2-CB 3.67Å; Y121-P381 HydrophobicContact CE2-CG 3.58Å; F146-P381 HydrophobicContact CB-CG 4.27Å; F146-P381 HydrophobicContact CD1-CG 3.94Å; F146-P381 HydrophobicContact CD2-CG 3.57Å; F146-P381 HydrophobicContact CE1-CG 4.25Å; F146-P381 HydrophobicContact CE2-CG 4Å; F146-P381 HydrophobicContact CG-CG 3.57Å; F146-P381 HydrophobicContact CZ-CG 4.29Å; R362-P381 PolarHBondContact NH2-O 2.66Å
382W84.8Confident90.9Very high30 Ų3032.6 Ų32.611%0.11415%0.145CC..SBendtrans-78.5150.8-171-45.2130.6000112.1P136 G142 Y143 F146 V360 R362 F380 R384P136-W382 HydrophobicContact CG-CE3 4.28Å; P136-W382 HydrophobicContact CG-CH2 4.22Å; P136-W382 HydrophobicContact CG-CZ3 3.86Å; G142-W382 WeakPolarHBondContact O-CH2 3.26Å; G142-W382 WeakPolarHBondContact O-CZ2 3.47Å; Y143-W382 HydrophobicContact CD2-CB 4.29Å; Y143-W382 AromaticContact CD2-CD1 3.76Å; Y143-W382 HydrophobicContact CD2-CD2 4.27Å; Y143-W382 AromaticContact CD2-CG 3.87Å; Y143-W382 HydrophobicContact CD2-CG 3.87Å; Y143-W382 HydrophobicContact CE2-CB 3.75Å; Y143-W382 AromaticContact CE2-CD1 3.56Å; Y143-W382 AromaticContact CE2-CG 3.7Å; Y143-W382 HydrophobicContact CE2-CG 3.7Å; Y143-W382 AromaticContact CZ-CD1 3.97Å; Y143-W382 PolarHBondContact O-NE1 2.7Å; F146-W382 HydrophobicContact CB-CZ2 3.94Å; V360-W382 VanDerWaalsContact CG2-O 3.29Å; V360-W382 WeakPolarHBondContact CG2-O 3.42Å; R362-W382 PolarHBondContact NH2-O 3.32Å; F380-W382 HydrophobicContact CD1-CB 4.28Å; F380-W382 WeakPolarHBondContact CD1-O 3.46Å; F380-W382 HydrophobicContact CE1-CB 3.62Å; F380-W382 HydrophobicContact CE1-CG 4.24Å; F380-W382 AromaticContact CE2-CD1 3.68Å; F380-W382 HydrophobicContact CZ-CB 3.88Å; F380-W382 AromaticContact CZ-CD1 3.5Å; F380-W382 HydrophobicContact CZ-CG 4.08Å; W382-R384 VanDerWaalsContact C-N 3.26Å; W382-R384 PolarHBondContact O-N 3.16Å
383S85Confident91Very high24 Ų2431.3 Ų31.317%0.16814%0.138CC..SBendtrans-75.1-14.5178.164.90000113.9S135 M359 V360S135-S383 WeakPolarHBondContact CB-OG 3.41Å; S135-S383 VanDerWaalsContact OG-CB 3.3Å; S135-S383 WeakPolarHBondContact OG-CB 3.34Å; S135-S383 PolarHBondContact OG-N 3.22Å; S135-S383 PolarHBondContact OG-OG 3.44Å; S135-S383 VanDerWaalsContact OG-OG 3.07Å; M359-S383 WeakPolarHBondContact CA-O 3Å; V360-S383 PolarHBondContact N-O 3.09Å
384R89.5Confident91.2Very high105 Ų10525.2 Ų25.240%0.39612%0.116SC..BIsolated β-bridgetrans-133.8138-179.2-70.3-178.4168.3100.12.3111.4Y143 N357 S358 F380 W382Y143-R384 PolarHBondContact OH-O 2.82Å; N357-R384 WeakPolarHBondContact OD1-CD 3.43Å; N357-R384 PolarHBondContact OD1-NE 3.26Å; S358-R384 VanDerWaalsContact O-CA 3.28Å; S358-R384 WeakPolarHBondContact O-CA 3.41Å; F380-R384 WeakPolarHBondContact CE1-O 3.45Å; W382-R384 VanDerWaalsContact C-N 3.26Å; W382-R384 PolarHBondContact O-N 3.16Å
385Y91.2Very high91.3Very high10 Ų1025.2 Ų25.24%0.03912%0.116CC..PPolyproline II helixtrans-75.2151.4170.1-65.6-60.4000110.9S358 V360 V375 F380 Y388 I414 A419S358-Y385 PolarHBondContact O-N 3.35Å; V360-Y385 HydrophobicContact CB-CE2 4.23Å; V360-Y385 HydrophobicContact CG1-CE1 4.42Å; V360-Y385 HydrophobicContact CG1-CE2 4.37Å; V360-Y385 HydrophobicContact CG2-CD1 3.85Å; V360-Y385 HydrophobicContact CG2-CD2 3.84Å; V360-Y385 HydrophobicContact CG2-CE1 3.72Å; V360-Y385 HydrophobicContact CG2-CE2 3.72Å; V360-Y385 HydrophobicContact CG2-CG 3.91Å; V375-Y385 WeakPolarHBondContact CB-OH 3.45Å; V375-Y385 WeakPolarHBondContact CG2-OH 3.32Å; F380-Y385 AromaticContact CD1-CD1 3.89Å; F380-Y385 HydrophobicContact CD1-CD1 3.89Å; F380-Y385 AromaticContact CD1-CE1 3.72Å; F380-Y385 HydrophobicContact CD1-CE1 3.72Å; F380-Y385 AromaticContact CE1-CD1 3.6Å; F380-Y385 HydrophobicContact CE1-CD1 3.6Å; F380-Y385 AromaticContact CE1-CE1 3.94Å; F380-Y385 HydrophobicContact CE1-CE1 3.94Å; F380-Y385 HydrophobicContact CE1-CG 4.47Å; F380-Y385 HydrophobicContact CG-CD1 4.46Å; F380-Y385 HydrophobicContact CG-CE1 4.15Å; F380-Y385 AromaticContact CZ-CD1 3.97Å; F380-Y385 HydrophobicContact CZ-CD1 3.97Å; Y385-Y388 HydrophobicContact CD2-CE1 4.2Å; Y385-Y388 HydrophobicContact CG-CE1 4.38Å; Y385-I414 HydrophobicContact CE1-CD1 4.03Å; Y385-A419 HydrophobicContact CD1-CB 3.72Å; Y385-A419 HydrophobicContact CD2-CB 4Å; Y385-A419 HydrophobicContact CE1-CB 3.71Å; Y385-A419 HydrophobicContact CE2-CB 3.97Å; Y385-A419 HydrophobicContact CG-CB 3.87Å
386P92.1Very high91.6Very high2 Ų225.2 Ų25.21%0.01312%0.116CC..PPolyproline II helixtrans-67.6165.7166.730.6-31.1000109Y143 Y388 G422 I423 N426Y143-P386 HydrophobicContact CE1-CB 4.14Å; Y143-P386 HydrophobicContact CE1-CG 4.48Å; Y143-P386 WeakPolarHBondContact OH-CD 3.3Å; P386-Y388 WeakPolarHBondContact O-CD1 3.4Å; P386-Y388 PolarHBondContact O-N 3.02Å; P386-G422 VanDerWaalsContact CG-C 3.46Å; P386-G422 WeakPolarHBondContact CG-O 3.29Å; P386-I423 HydrophobicContact CG-CB 4.5Å; P386-I423 HydrophobicContact CG-CG1 3.99Å; P386-N426 HydrophobicContact CB-CB 3.69Å; P386-N426 HydrophobicContact CG-CB 3.91Å
387P93.9Very high92.1Very high24 Ų2424.5 Ų24.516%0.15611%0.112CC..PPolyproline II helixtrans-55.9139.4177.4-25.935.2000112.5R354 H355 G422 P432R354-P387 HydrophobicContact CG-CB 4.44Å; H355-P387 WeakPolarHBondContact O-CA 3.3Å; P387-G422 VanDerWaalsContact O-CA 3.3Å; P387-G422 WeakPolarHBondContact O-CA 3.24Å; P387-P432 HydrophobicContact CB-CG 3.72Å
388Y96Very high92.7Very high28 Ų2823.5 Ų23.511%0.1111%0.107CC..EExtended strand (participates in β ladder)trans-142.9174.3178.459.4-98.6000111.9R354 H355 S358 Y385 P386 D418 A419R354-Y388 WeakPolarHBondContact CA-O 3.37Å; H355-Y388 HydrophobicContact CB-CD2 4.13Å; H355-Y388 HydrophobicContact CB-CE1 4.39Å; H355-Y388 HydrophobicContact CB-CE2 3.82Å; H355-Y388 PolarHBondContact N-O 3.26Å; H355-Y388 PolarHBondContact O-N 3.38Å; H355-Y388 VanDerWaalsContact O-N 3.13Å; S358-Y388 WeakPolarHBondContact CB-OH 3.21Å; S358-Y388 WeakPolarHBondContact OG-CE1 3.14Å; S358-Y388 PolarHBondContact OG-OH 2.77Å; Y385-Y388 HydrophobicContact CD2-CE1 4.2Å; Y385-Y388 HydrophobicContact CG-CE1 4.38Å; P386-Y388 WeakPolarHBondContact O-CD1 3.4Å; P386-Y388 PolarHBondContact O-N 3.02Å; Y388-D418 WeakPolarHBondContact CB-O 3.12Å; Y388-D418 HydrophobicContact CD2-CB 3.74Å; Y388-D418 HydrophobicContact CE2-CB 3.88Å; Y388-A419 HydrophobicContact CD1-CB 4.47Å; Y388-A419 HydrophobicContact CE1-CB 4.42Å
389F97.8Very high93.5Very high1 Ų120.2 Ų20.20%0.00410%0.095CC..EExtended strand (participates in β ladder)trans-96.2140.3171.7-60.3-43.9000111.5G352 I353 G391 Y394 L396 L421 F425 P432 R433G352-F389 VanDerWaalsContact CA-CD1 3.5Å; I353-F389 VanDerWaalsContact O-CA 3.29Å; I353-F389 WeakPolarHBondContact O-CA 3.41Å; F389-G391 PolarHBondContact O-N 2.88Å; F389-Y394 HydrophobicContact CB-CG 4.48Å; F389-Y394 HydrophobicContact CD2-CD2 4.48Å; F389-Y394 HydrophobicContact CD2-CG 4.21Å; F389-L396 HydrophobicContact CE2-CD2 4.26Å; F389-L421 HydrophobicContact CD2-CD2 4.36Å; F389-F425 AromaticContact CD2-CE2 3.79Å; F389-F425 HydrophobicContact CD2-CE2 3.79Å; F389-F425 HydrophobicContact CD2-CZ 4.12Å; F389-F425 AromaticContact CE2-CE2 3.66Å; F389-F425 HydrophobicContact CE2-CE2 3.66Å; F389-F425 AromaticContact CE2-CZ 3.76Å; F389-F425 HydrophobicContact CE2-CZ 3.76Å; F389-F425 HydrophobicContact CZ-CE2 4.4Å; F389-P432 HydrophobicContact CD1-CB 4.08Å; F389-P432 HydrophobicContact CE1-CB 3.41Å; F389-P432 VanDerWaalsContact CE1-CB 3.41Å; F389-P432 HydrophobicContact CE2-CB 4.15Å; F389-P432 HydrophobicContact CZ-CB 3.45Å; F389-P432 VanDerWaalsContact CZ-CB 3.45Å; F389-R433 WeakPolarHBondContact CE1-O 3.41Å
390Y95.4Very high93.9Very high83 Ų8319.9 Ų19.933%0.3259%0.094SC..EExtended strand (participates in β ladder)trans-57.5139165.6-72.9-91.9000110.6I353 H355 A392 L440I353-Y390 HydrophobicContact CB-CD2 3.77Å; I353-Y390 HydrophobicContact CG2-CD2 3.49Å; I353-Y390 VanDerWaalsContact CG2-CD2 3.49Å; I353-Y390 HydrophobicContact CG2-CE2 3.79Å; I353-Y390 WeakPolarHBondContact O-CD2 3.35Å; I353-Y390 PolarHBondContact O-N 3.46Å; I353-Y390 VanDerWaalsContact O-N 3.11Å; H355-Y390 HydrophobicContact CB-CE2 4.11Å; H355-Y390 AromaticContact CD2-CE2 3.9Å; H355-Y390 AromaticContact CD2-CZ 3.45Å; H355-Y390 VanDerWaalsContact CD2-CZ 3.45Å; H355-Y390 PolarHBondContact CD2-OH 2.85Å; Y390-A392 PolarHBondContact O-N 3.17Å; Y390-L440 HydrophobicContact CD1-CD1 3.93Å; Y390-L440 HydrophobicContact CD1-CD2 4.48Å; Y390-L440 HydrophobicContact CD2-CD1 4.45Å; Y390-L440 HydrophobicContact CE1-CD1 3.98Å; Y390-L440 HydrophobicContact CE2-CD1 4.5Å; Y390-L440 HydrophobicContact CG-CD1 4.16Å; Y390-L440 HydrophobicContact CG-CD2 4.27Å
391G93.7Very high94.4Very high9 Ų919.6 Ų19.69%0.0939%0.093CC..EExtended strand (participates in β ladder)trans-72.13.5-173.600000116.3K201 F389 D418K201-G391 PolarHBondContact NZ-O 2.82Å; F389-G391 PolarHBondContact O-N 2.88Å; G391-D418 WeakPolarHBondContact CA-OD1 3.46Å; G391-D418 WeakPolarHBondContact CA-OD2 3.48Å; G391-D418 PolarHBondContact N-OD1 3.36Å; G391-D418 PolarHBondContact N-OD2 3.1Å
392A95.9Very high95.2Very high8 Ų821.4 Ų21.47%0.06610%0.099CC..EExtended strand (participates in β ladder)trans-70.7-51178.900000112.1I323 D324 Y327 Y390 L440I323-A392 WeakPolarHBondContact CA-O 3.41Å; D324-A392 PolarHBondContact N-O 3.15Å; Y327-A392 HydrophobicContact CD2-CB 4.04Å; Y327-A392 HydrophobicContact CE1-CB 4.16Å; Y327-A392 HydrophobicContact CE2-CB 3.54Å; Y390-A392 PolarHBondContact O-N 3.17Å; A392-L440 HydrophobicContact CB-CD2 3.57Å
393T98.3Very high95.9Very high1 Ų122.9 Ų22.91%0.00611%0.105CC..EExtended strand (participates in β ladder)trans-158134.5178.7-53.70000110.7L321 F322 I438 N453L321-T393 HydrophobicContact CD2-CG2 4.13Å; F322-T393 VanDerWaalsContact O-CA 3.29Å; F322-T393 WeakPolarHBondContact O-CA 3.19Å; T393-I438 HydrophobicContact CG2-CD1 4.48Å; T393-I438 HydrophobicContact CG2-CG2 4.21Å; T393-N453 HydrophobicContact CG2-CB 4.03Å; T393-N453 WeakPolarHBondContact OG1-CB 3.39Å; T393-N453 PolarHBondContact OG1-ND2 3.35Å
394Y98.6Very high96.5Very high19 Ų1921.7 Ų21.78%0.07510%0.097CC..EExtended strand (participates in β ladder)trans-154.8163.7171.159.7-89.9000111.1L302 F322 G351 F389 L396 L421L302-Y394 WeakPolarHBondContact CD1-OH 3.29Å; F322-Y394 HydrophobicContact CB-CD1 4.12Å; F322-Y394 HydrophobicContact CB-CD2 3.88Å; F322-Y394 HydrophobicContact CB-CE1 3.69Å; F322-Y394 HydrophobicContact CB-CE2 3.43Å; F322-Y394 VanDerWaalsContact CB-CE2 3.43Å; F322-Y394 HydrophobicContact CB-CG 4.19Å; F322-Y394 HydrophobicContact CD1-CE2 4.01Å; F322-Y394 AromaticContact CD1-CZ 3.99Å; F322-Y394 AromaticContact CD2-CD2 3.67Å; F322-Y394 HydrophobicContact CD2-CD2 3.67Å; F322-Y394 AromaticContact CD2-CE2 3.25Å; F322-Y394 HydrophobicContact CD2-CE2 3.25Å; F322-Y394 AromaticContact CD2-CZ 4Å; F322-Y394 AromaticContact CE2-CE2 3.99Å; F322-Y394 HydrophobicContact CE2-CE2 3.99Å; F322-Y394 AromaticContact CG-CD2 3.99Å; F322-Y394 HydrophobicContact CG-CD2 3.99Å; F322-Y394 HydrophobicContact CG-CE1 4.37Å; F322-Y394 AromaticContact CG-CE2 3.28Å; F322-Y394 HydrophobicContact CG-CE2 3.28Å; F322-Y394 AromaticContact CG-CZ 3.5Å; F322-Y394 PolarHBondContact N-O 2.8Å; F322-Y394 PolarHBondContact O-N 2.81Å; G351-Y394 CarbonylContact O-C 3.56Å; G351-Y394 VanDerWaalsContact O-CA 3.29Å; G351-Y394 WeakPolarHBondContact O-CA 3.41Å; G351-Y394 WeakPolarHBondContact O-CB 3.47Å; F389-Y394 HydrophobicContact CB-CG 4.48Å; F389-Y394 HydrophobicContact CD2-CD2 4.48Å; F389-Y394 HydrophobicContact CD2-CG 4.21Å; Y394-L396 HydrophobicContact CD2-CD1 4.04Å; Y394-L396 HydrophobicContact CD2-CD2 4.26Å; Y394-L396 HydrophobicContact CD2-CG 3.86Å; Y394-L396 HydrophobicContact CE2-CD1 3.71Å; Y394-L396 HydrophobicContact CE2-CG 4.05Å; Y394-L421 HydrophobicContact CD2-CD2 4.27Å; Y394-L421 HydrophobicContact CE1-CD2 4.44Å; Y394-L421 HydrophobicContact CE2-CD2 3.97Å
395I98.6Very high96.9Very high1 Ų116.7 Ų16.71%0.0058%0.078CC..EExtended strand (participates in β ladder)trans-126.8134-177.2-57.9175.6000108.5L319 F320 L321 F337 L349 G351 L435 I438 I452L319-I395 HydrophobicContact CD1-CG2 3.34Å; L319-I395 HydrophobicContact CD2-CG2 3.94Å; L319-I395 HydrophobicContact CG-CG2 3.68Å; F320-I395 WeakPolarHBondContact O-CA 3.34Å; L321-I395 HydrophobicContact CB-CG1 4.33Å; L321-I395 HydrophobicContact CD1-CD1 4.24Å; L321-I395 HydrophobicContact CD1-CG1 4.11Å; L321-I395 HydrophobicContact CG-CG1 3.92Å; F337-I395 HydrophobicContact CD1-CD1 4.23Å; F337-I395 HydrophobicContact CE1-CD1 3.84Å; F337-I395 HydrophobicContact CZ-CD1 4.43Å; L349-I395 HydrophobicContact CD2-CG2 3.9Å; G351-I395 PolarHBondContact N-O 3.04Å; G351-I395 PolarHBondContact O-N 3.21Å; I395-L435 HydrophobicContact CD1-CD1 4.26Å; I395-I438 HydrophobicContact CD1-CD1 4.44Å; I395-I438 HydrophobicContact CG1-CD1 4.41Å; I395-I452 HydrophobicContact CD1-CD1 3.71Å; I395-I452 HydrophobicContact CG1-CD1 4.45Å
396L98.7Very high97.2Very high0 Ų016.5 Ų16.50%08%0.077CC..EExtended strand (participates in β ladder)trans-131.5133.4175.3-53.2174.1000110.1F306 F320 F322 T350 F389 Y394 I400 V401 L404 F425F306-L396 HydrophobicContact CE1-CD1 3.76Å; F306-L396 HydrophobicContact CZ-CD1 3.79Å; F320-L396 PolarHBondContact N-O 3.11Å; F320-L396 PolarHBondContact O-N 3.24Å; F322-L396 HydrophobicContact CD2-CD1 4.31Å; F322-L396 HydrophobicContact CD2-CG 4.31Å; F322-L396 HydrophobicContact CE2-CB 3.99Å; F322-L396 HydrophobicContact CE2-CD1 3.8Å; F322-L396 HydrophobicContact CE2-CG 3.96Å; F322-L396 HydrophobicContact CZ-CD1 4.3Å; T350-L396 HydrophobicContact CG2-CD2 4.13Å; F389-L396 HydrophobicContact CE2-CD2 4.26Å; Y394-L396 HydrophobicContact CD2-CD1 4.04Å; Y394-L396 HydrophobicContact CD2-CD2 4.26Å; Y394-L396 HydrophobicContact CD2-CG 3.86Å; Y394-L396 HydrophobicContact CE2-CD1 3.71Å; Y394-L396 HydrophobicContact CE2-CG 4.05Å; L396-I400 HydrophobicContact CD2-CG2 4.33Å; L396-V401 HydrophobicContact CB-CG2 3.76Å; L396-V401 HydrophobicContact CD1-CG2 4.22Å; L396-L404 HydrophobicContact CD1-CD1 3.68Å; L396-F425 HydrophobicContact CD2-CE1 4.09Å; L396-F425 HydrophobicContact CD2-CZ 3.67Å
397G98.6Very high97.4Very high0 Ų016.4 Ų16.40%08%0.077CC..EExtended strand (participates in β ladder)trans-68.2156169.700000112.4L346 R347 L349 N399 I400 V401L346-G397 WeakPolarHBondContact O-CA 3.44Å; R347-G397 CarbonylContact O-C 3.56Å; R347-G397 WeakPolarHBondContact O-CA 3.49Å; L349-G397 PolarHBondContact O-N 3.38Å; G397-N399 VanDerWaalsContact C-N 3.31Å; G397-N399 PolarHBondContact O-N 3.32Å; G397-I400 WeakPolarHBondContact O-CB 3.47Å; G397-I400 PolarHBondContact O-N 2.91Å; G397-V401 PolarHBondContact O-N 2.96Å
398S98.3Very high97.6Very high4 Ų415.2 Ų15.23%0.0287%0.069CC..Hα-helixtrans-64.9-30.7-175.460.90000114.4V317 P318 R347 I400 K402V317-S398 WeakPolarHBondContact O-CB 3.44Å; V317-S398 PolarHBondContact O-OG 3.44Å; P318-S398 PolarHBondContact O-N 3.47Å; P318-S398 PolarHBondContact O-OG 2.88Å; R347-S398 PolarHBondContact O-N 2.88Å; S398-I400 VanDerWaalsContact C-N 3.33Å; S398-K402 WeakPolarHBondContact O-CG 3.32Å; S398-K402 PolarHBondContact O-N 2.71Å
399N98Very high97.5Very high46 Ų4613.9 Ų13.925%0.2466%0.064CC..Hα-helixtrans-67.7-37.1173.3-66.8-18.6000110.9R347 D348 G397 R403R347-N399 PolarHBondContact NH2-OD1 2.86Å; R347-N399 WeakPolarHBondContact O-CB 3.43Å; R347-N399 PolarHBondContact O-N 3.49Å; D348-N399 VanDerWaalsContact OD1-CB 3.23Å; D348-N399 WeakPolarHBondContact OD1-CB 3.46Å; D348-N399 PolarHBondContact OD1-ND2 3.39Å; G397-N399 VanDerWaalsContact C-N 3.31Å; G397-N399 PolarHBondContact O-N 3.32Å; N399-R403 WeakPolarHBondContact O-CG 3.49Å; N399-R403 PolarHBondContact O-N 3.41Å
400I98.5Very high97.4Very high7 Ų713.9 Ų13.94%0.0366%0.064CC..Hα-helixtrans-65.2-47.7176.9-52.4-54.9000110.7T350 L396 G397 S398 K402 R403 L404 F425 I430T350-I400 HydrophobicContact CG2-CB 4.42Å; T350-I400 HydrophobicContact CG2-CD1 4.28Å; T350-I400 HydrophobicContact CG2-CG1 3.92Å; T350-I400 HydrophobicContact CG2-CG2 3.81Å; L396-I400 HydrophobicContact CD2-CG2 4.33Å; G397-I400 WeakPolarHBondContact O-CB 3.47Å; G397-I400 PolarHBondContact O-N 2.91Å; S398-I400 VanDerWaalsContact C-N 3.33Å; I400-K402 VanDerWaalsContact C-N 3.3Å; I400-K402 PolarHBondContact O-N 3Å; I400-R403 PolarHBondContact O-N 2.84Å; I400-R403 VanDerWaalsContact O-N 3.15Å; I400-L404 HydrophobicContact CG2-CD1 3.81Å; I400-L404 HydrophobicContact CG2-CG 4.19Å; I400-L404 VanDerWaalsContact O-CG 3.32Å; I400-L404 WeakPolarHBondContact O-CG 3.46Å; I400-L404 PolarHBondContact O-N 3.04Å; I400-F425 HydrophobicContact CG2-CE1 4.1Å; I400-I430 HydrophobicContact CD1-CD1 4.14Å; I400-I430 HydrophobicContact CG2-CD1 4.21Å
401V98.7Very high97.2Very high0 Ų010 Ų100%05%0.049CC..Hα-helixtrans-58.8-40.9179.3171.70000111.9F306 L309 F320 F322 L396 G397 L404 A405F306-V401 HydrophobicContact CB-CG1 4.34Å; F306-V401 HydrophobicContact CD1-CG1 4.16Å; L309-V401 HydrophobicContact CB-CG1 3.77Å; L309-V401 HydrophobicContact CD1-CG1 4.05Å; F320-V401 HydrophobicContact CB-CG2 4.47Å; F320-V401 HydrophobicContact CD2-CB 4.05Å; F320-V401 HydrophobicContact CD2-CG1 4.44Å; F320-V401 HydrophobicContact CD2-CG2 3.57Å; F320-V401 HydrophobicContact CE2-CB 4.19Å; F320-V401 HydrophobicContact CE2-CG1 4.39Å; F320-V401 HydrophobicContact CE2-CG2 4.21Å; F320-V401 HydrophobicContact CG-CG2 4.33Å; F322-V401 HydrophobicContact CE2-CG2 4.41Å; F322-V401 HydrophobicContact CZ-CG2 4.2Å; L396-V401 HydrophobicContact CB-CG2 3.76Å; L396-V401 HydrophobicContact CD1-CG2 4.22Å; G397-V401 PolarHBondContact O-N 2.96Å; V401-L404 PolarHBondContact O-N 3.26Å; V401-A405 WeakPolarHBondContact O-CB 3.24Å; V401-A405 PolarHBondContact O-N 3.12Å
402K97.9Very high97.1Very high47 Ų4711.5 Ų11.520%0.2045%0.053CC..Hα-helixtrans-61.8-44175.8-69.7172.7-166.51760112.5N315 S398 I400 A405 I406N315-K402 WeakPolarHBondContact OD1-CE 3.35Å; N315-K402 PolarHBondContact OD1-NZ 2.87Å; S398-K402 WeakPolarHBondContact O-CG 3.32Å; S398-K402 PolarHBondContact O-N 2.71Å; I400-K402 VanDerWaalsContact C-N 3.3Å; I400-K402 PolarHBondContact O-N 3Å; K402-A405 PolarHBondContact O-N 3.1Å; K402-I406 PolarHBondContact O-N 3.21Å
403R98.3Very high97Very high61 Ų6113 Ų1323%0.236%0.059CC..Hα-helixtrans-63.1-44.3176.2-67.7176.676-158.30.6111.1D153 I156 N399 I400 A405 I406 A407 L428D153-R403 IonicContact OD1-CZ 2.71Å; D153-R403 IonicContact OD1-NH2 3Å; D153-R403 PolarHBondContact OD1-NH2 2.92Å; I156-R403 HydrophobicContact CD1-CB 4.32Å; I156-R403 WeakPolarHBondContact CD1-O 3.43Å; I156-R403 HydrophobicContact CG1-CB 4.39Å; I156-R403 HydrophobicContact CG1-CG 4.33Å; I156-R403 HydrophobicContact CG2-CG 4.06Å; N399-R403 WeakPolarHBondContact O-CG 3.49Å; N399-R403 PolarHBondContact O-N 3.41Å; I400-R403 PolarHBondContact O-N 2.84Å; I400-R403 VanDerWaalsContact O-N 3.15Å; R403-A405 PolarHBondContact O-N 2.99Å; R403-I406 PolarHBondContact O-N 2.88Å; R403-A407 VanDerWaalsContact O-CB 3.24Å; R403-A407 WeakPolarHBondContact O-CB 3.43Å; R403-A407 PolarHBondContact O-N 3.06Å; R403-L428 HydrophobicContact CB-CD1 3.88Å; R403-L428 HydrophobicContact CB-CD2 4.06Å; R403-L428 PolarHBondContact NH2-O 3.37Å; R403-L428 VanDerWaalsContact NH2-O 3.16Å
404L98.5Very high96.8Very high0 Ų013 Ų130%06%0.059CC..Hα-helixtrans-62.9-40.5177.6-68.6170000112.4F306 L396 I400 V401 I406 A407 S408 L421 L424 F425 L428F306-L404 HydrophobicContact CD2-CB 3.75Å; F306-L404 HydrophobicContact CD2-CD1 4.35Å; F306-L404 HydrophobicContact CE1-CD1 4.47Å; F306-L404 HydrophobicContact CE2-CB 3.97Å; F306-L404 HydrophobicContact CE2-CD1 3.81Å; F306-L404 HydrophobicContact CE2-CG 4.4Å; F306-L404 HydrophobicContact CG-CB 4.35Å; F306-L404 HydrophobicContact CZ-CD1 3.88Å; L396-L404 HydrophobicContact CD1-CD1 3.68Å; I400-L404 HydrophobicContact CG2-CD1 3.81Å; I400-L404 HydrophobicContact CG2-CG 4.19Å; I400-L404 VanDerWaalsContact O-CG 3.32Å; I400-L404 WeakPolarHBondContact O-CG 3.46Å; I400-L404 PolarHBondContact O-N 3.04Å; V401-L404 PolarHBondContact O-N 3.26Å; L404-I406 VanDerWaalsContact C-N 3.32Å; L404-I406 PolarHBondContact O-N 2.98Å; L404-A407 PolarHBondContact O-N 2.86Å; L404-S408 WeakPolarHBondContact O-CB 2.94Å; L404-S408 PolarHBondContact O-N 3.12Å; L404-L421 HydrophobicContact CD1-CD1 3.88Å; L404-L421 HydrophobicContact CD2-CD1 4.09Å; L404-L424 HydrophobicContact CD2-CB 3.48Å; L404-L424 VanDerWaalsContact CD2-CB 3.48Å; L404-L424 HydrophobicContact CD2-CD1 4.07Å; L404-L424 HydrophobicContact CD2-CG 4.4Å; L404-F425 HydrophobicContact CD1-CE1 4.13Å; L404-F425 HydrophobicContact CD2-CD1 4.18Å; L404-F425 HydrophobicContact CD2-CE1 4.23Å; L404-L428 HydrophobicContact CD2-CD1 3.79Å; L404-L428 HydrophobicContact CG-CD1 4.26Å
405A98.2Very high96.6Very high0 Ų012.5 Ų12.50%06%0.057CC..Hα-helixtrans-56.6-45.8177.500000111.7F306 R307 V401 K402 R403 S408F306-A405 HydrophobicContact CB-CB 4.26Å; R307-A405 HydrophobicContact CG-CB 4.08Å; V401-A405 WeakPolarHBondContact O-CB 3.24Å; V401-A405 PolarHBondContact O-N 3.12Å; K402-A405 PolarHBondContact O-N 3.1Å; R403-A405 PolarHBondContact O-N 2.99Å; A405-S408 PolarHBondContact O-OG 3.05Å
406I97.5Very high96.6Very high5 Ų513.3 Ų13.33%0.0266%0.061CC..Hα-helixtrans-72.7-49.8176.8-60.3162.5000111.1W81 L101 V155 I156 A159 K402 R403 L404 S408 A409 F410W81-I406 HydrophobicContact CB-CD1 4.46Å; W81-I406 HydrophobicContact CB-CG1 4.21Å; W81-I406 HydrophobicContact CG-CG1 3.96Å; L101-I406 HydrophobicContact CD2-CB 4.24Å; L101-I406 HydrophobicContact CD2-CG1 4.23Å; L101-I406 HydrophobicContact CD2-CG2 4.13Å; V155-I406 HydrophobicContact CG1-CG2 4.19Å; I156-I406 HydrophobicContact CD1-CB 3.5Å; I156-I406 HydrophobicContact CD1-CD1 4.1Å; I156-I406 HydrophobicContact CD1-CG1 4.39Å; I156-I406 HydrophobicContact CD1-CG2 3.59Å; I156-I406 HydrophobicContact CG2-CD1 4.39Å; A159-I406 HydrophobicContact CB-CD1 4Å; A159-I406 HydrophobicContact CB-CG1 4.28Å; A159-I406 HydrophobicContact CB-CG2 3.64Å; K402-I406 PolarHBondContact O-N 3.21Å; R403-I406 PolarHBondContact O-N 2.88Å; L404-I406 VanDerWaalsContact C-N 3.32Å; L404-I406 PolarHBondContact O-N 2.98Å; I406-S408 PolarHBondContact O-N 3.21Å; I406-S408 VanDerWaalsContact O-N 3.13Å; I406-A409 WeakPolarHBondContact O-CB 3.28Å; I406-A409 PolarHBondContact O-N 3.31Å; I406-F410 HydrophobicContact CG2-CE2 4.35Å
407A96.7Very high96.5Very high0 Ų014 Ų140%06%0.064CC..Hα-helixtrans-56.7-33.6-176.900000112.7F152 R403 L404 A409 F410 T411 L424 L428F152-A407 HydrophobicContact CD1-CB 3.75Å; F152-A407 HydrophobicContact CE1-CB 3.71Å; R403-A407 VanDerWaalsContact O-CB 3.24Å; R403-A407 WeakPolarHBondContact O-CB 3.43Å; R403-A407 PolarHBondContact O-N 3.06Å; L404-A407 PolarHBondContact O-N 2.86Å; A407-A409 PolarHBondContact O-N 3.14Å; A407-F410 CarbonylContact O-C 3.58Å; A407-F410 PolarHBondContact O-N 3.47Å; A407-T411 WeakPolarHBondContact O-CB 3.49Å; A407-T411 PolarHBondContact O-N 3.11Å; A407-T411 PolarHBondContact O-OG1 3.19Å; A407-L424 HydrophobicContact CB-CD2 4.18Å; A407-L428 HydrophobicContact CB-CD1 4.05Å; A407-L428 HydrophobicContact CB-CD2 4.11Å; A407-L428 HydrophobicContact CB-CG 4.09Å
408S97.1Very high96.4Very high0 Ų015.5 Ų15.50%07%0.073CC..G310 helixtrans-58.4-31.5176.772.80000114N171 V303 R307 L404 A405 I406 F410 Y420N171-S408 PolarHBondContact ND2-O 2.03Å; V303-S408 WeakPolarHBondContact CG1-OG 3.41Å; R307-S408 PolarHBondContact NE-OG 3.43Å; R307-S408 PolarHBondContact NH2-OG 2.92Å; L404-S408 WeakPolarHBondContact O-CB 2.94Å; L404-S408 PolarHBondContact O-N 3.12Å; A405-S408 PolarHBondContact O-OG 3.05Å; I406-S408 PolarHBondContact O-N 3.21Å; I406-S408 VanDerWaalsContact O-N 3.13Å; S408-F410 PolarHBondContact O-N 2.96Å; S408-Y420 PolarHBondContact O-OH 2.91Å; S408-Y420 VanDerWaalsContact O-OH 3.12Å
409A95.1Very high96.3Very high0 Ų015.3 Ų15.30%07%0.071CC..G310 helixtrans-69.2-26.9178.500000112.3L101 P169 I170 N171 N172 I406 A407L101-A409 HydrophobicContact CD1-CB 4.47Å; L101-A409 HydrophobicContact CD2-CB 3.95Å; P169-A409 CarbonylContact C-O 3.58Å; P169-A409 WeakPolarHBondContact CA-O 3.21Å; P169-A409 HydrophobicContact CB-CB 4.07Å; P169-A409 WeakPolarHBondContact CB-O 3.24Å; I170-A409 PolarHBondContact N-O 2.86Å; N171-A409 CarbonylContact C-O 3.55Å; N171-A409 PolarHBondContact N-O 3.11Å; N171-A409 WeakPolarHBondContact O-CA 3.14Å; N172-A409 HydrophobicContact CB-CB 4.16Å; I406-A409 WeakPolarHBondContact O-CB 3.28Å; I406-A409 PolarHBondContact O-N 3.31Å; A407-A409 PolarHBondContact O-N 3.14Å
410F93.9Very high96.2Very high1 Ų113.1 Ų13.10%0.0046%0.059CC..G310 helixtrans-108.916-175.8-63.9-86.8000113.1I103 Q148 L150 F152 V155 P169 I406 A407 S408I103-F410 HydrophobicContact CD1-CE2 3.7Å; I103-F410 HydrophobicContact CD1-CZ 3.5Å; Q148-F410 PolarHBondContact OE1-O 2.99Å; L150-F410 HydrophobicContact CD1-CB 4.05Å; L150-F410 HydrophobicContact CD1-CD1 3.67Å; L150-F410 HydrophobicContact CD1-CE1 4.49Å; L150-F410 HydrophobicContact CD1-CG 4.19Å; F152-F410 HydrophobicContact CE1-CB 4.14Å; F152-F410 HydrophobicContact CZ-CB 4.09Å; V155-F410 HydrophobicContact CG1-CD1 4.48Å; V155-F410 HydrophobicContact CG1-CD2 3.51Å; V155-F410 HydrophobicContact CG1-CE2 3.54Å; V155-F410 HydrophobicContact CG1-CG 3.99Å; V155-F410 HydrophobicContact CG1-CZ 4.04Å; P169-F410 HydrophobicContact CB-CD1 4.22Å; P169-F410 HydrophobicContact CB-CE1 4.09Å; P169-F410 HydrophobicContact CB-CZ 4.32Å; P169-F410 HydrophobicContact CG-CE1 4.06Å; P169-F410 HydrophobicContact CG-CZ 4.05Å; I406-F410 HydrophobicContact CG2-CE2 4.35Å; A407-F410 CarbonylContact O-C 3.58Å; A407-F410 PolarHBondContact O-N 3.47Å; S408-F410 PolarHBondContact O-N 2.96Å
411T93.1Very high96.2Very high1 Ų112.9 Ų12.91%0.0066%0.058CC..SBendtrans-126.6127.8-178.9-57.10000109.8N171 A407 H413 Y420 I423 L424N171-T411 VanDerWaalsContact CB-O 3.24Å; N171-T411 WeakPolarHBondContact CB-O 3.37Å; A407-T411 WeakPolarHBondContact O-CB 3.49Å; A407-T411 PolarHBondContact O-N 3.11Å; A407-T411 PolarHBondContact O-OG1 3.19Å; T411-H413 PolarHBondContact O-N 3.28Å; T411-Y420 HydrophobicContact CG2-CE2 3.86Å; T411-Y420 PolarHBondContact O-OH 3.32Å; T411-I423 HydrophobicContact CG2-CG2 3.61Å; T411-L424 HydrophobicContact CG2-CD2 3.89Å; T411-L424 WeakPolarHBondContact OG1-CD2 3.11Å
412Q90.9Very high96Very high40 Ų4012.9 Ų12.919%0.1876%0.058CC..  trans-51.8125.1177.8178.25853.600111.6F146 P147 E379 Y420F146-Q412 HydrophobicContact CE1-CB 4Å; F146-Q412 HydrophobicContact CE1-CG 3.96Å; F146-Q412 HydrophobicContact CZ-CB 4.29Å; F146-Q412 HydrophobicContact CZ-CG 3.99Å; P147-Q412 VanDerWaalsContact CD-CB 3.41Å; P147-Q412 HydrophobicContact CG-CB 3.63Å; P147-Q412 HydrophobicContact CG-CG 4.39Å; E379-Q412 WeakPolarHBondContact O-CG 3.03Å; Q412-Y420 VanDerWaalsContact O-CE2 3.24Å; Q412-Y420 WeakPolarHBondContact O-CE2 2.98Å
413H93.3Very high95.9Very high40 Ų4011.2 Ų11.219%0.1855%0.052CC..  trans-64.5137.4176.8-171.683.9000111.5S299 T300 T411S299-H413 VanDerWaalsContact CB-CE1 3.44Å; S299-H413 WeakPolarHBondContact CB-CE1 3.4Å; T300-H413 PolarHBondContact OG1-CE1 3.35Å; T411-H413 PolarHBondContact O-N 3.28Å
414I94.4Very high95.7Very high0 Ų08.3 Ų8.30%04%0.041CC..  trans-128.9158165.874.5167.9000108.6S299 E379 F380 Y385 I416 A419 Y420 I423S299-I414 WeakPolarHBondContact CB-O 3.36Å; S299-I414 PolarHBondContact OG-O 3.49Å; E379-I414 HydrophobicContact CB-CB 4.4Å; E379-I414 HydrophobicContact CB-CG2 4Å; E379-I414 VanDerWaalsContact O-CG2 3.23Å; E379-I414 WeakPolarHBondContact O-CG2 3.36Å; F380-I414 HydrophobicContact CB-CG2 4.23Å; Y385-I414 HydrophobicContact CE1-CD1 4.03Å; I414-I416 HydrophobicContact CD1-CB 4.43Å; I414-A419 HydrophobicContact CD1-CB 3.89Å; I414-Y420 HydrophobicContact CG1-CD2 3.95Å; I414-Y420 HydrophobicContact CG1-CG 4.23Å; I414-I423 HydrophobicContact CD1-CD1 3.7Å; I414-I423 HydrophobicContact CG1-CD1 4.41Å; I414-I423 HydrophobicContact CG2-CD1 4.43Å
415R95Very high95.6Very high10 Ų108.4 Ų8.44%0.0384%0.041CC..SBendtrans-77.3-22.4-175.7-67.9170.7-72.91387.9114.6F247 F296 S299 A374 E379F247-R415 VanDerWaalsContact CE1-CD 3.47Å; F247-R415 VanDerWaalsContact CZ-CD 3.43Å; F296-R415 HydrophobicContact CB-CG 4.45Å; F296-R415 HydrophobicContact CD1-CB 4.38Å; F296-R415 WeakPolarHBondContact O-CG 3.32Å; S299-R415 PolarHBondContact OG-O 2.81Å; A374-R415 PolarHBondContact O-NH2 3.26Å; A374-R415 VanDerWaalsContact O-NH2 3.08Å; E379-R415 WeakPolarHBondContact OE1-CG 3.21Å; E379-R415 IonicContact OE1-CZ 2.82Å; E379-R415 IonicContact OE1-NE 3.92Å; E379-R415 PolarHBondContact OE1-NE 3.28Å; E379-R415 IonicContact OE1-NH2 3.58Å; E379-R415 PolarHBondContact OE1-NH2 3.42Å; E379-R415 IonicContact OE2-CZ 3.32Å; E379-R415 IonicContact OE2-NE 3.04Å; E379-R415 IonicContact OE2-NH2 3.55Å; E379-R415 PolarHBondContact OE2-NH2 2.92Å
416I96.9Very high95.3Very high18 Ų1810.1 Ų10.19%0.0925%0.05CC..  trans-89.1106.5-176.4-49.2-56.2000109.8V375 I414 A419 Y420V375-I416 HydrophobicContact CG2-CD1 4.49Å; V375-I416 HydrophobicContact CG2-CG1 3.56Å; I414-I416 HydrophobicContact CD1-CB 4.43Å; I416-A419 HydrophobicContact CB-CB 4.14Å; I416-A419 HydrophobicContact CG2-CB 3.9Å; I416-A419 PolarHBondContact O-N 2.72Å; I416-Y420 WeakPolarHBondContact O-CB 3.43Å; I416-Y420 PolarHBondContact O-N 2.77Å
417D97.3Very high95Very high13 Ų1310.8 Ų10.87%0.075%0.053CC..Hα-helixtrans-64.3-44.1-171.956.2-35.2000114K201 L298 S299 L302 A419 Y420 L421K201-D417 IonicContact NZ-OD2 3.61Å; L298-D417 HydrophobicContact CB-CB 3.88Å; S299-D417 WeakPolarHBondContact OG-CA 3.12Å; S299-D417 PolarHBondContact OG-N 3.42Å; L302-D417 HydrophobicContact CD2-CB 4.46Å; D417-A419 PolarHBondContact O-N 3.08Å; D417-Y420 PolarHBondContact O-N 2.88Å; D417-L421 PolarHBondContact O-N 3.12Å
418D96.9Very high94.9Very high32 Ų3210.9 Ų10.917%0.1715%0.054CC..Hα-helixtrans-57.5-50.8176.6-63.45000111Y388 G391 Y420 L421 G422Y388-D418 WeakPolarHBondContact CB-O 3.12Å; Y388-D418 HydrophobicContact CD2-CB 3.74Å; Y388-D418 HydrophobicContact CE2-CB 3.88Å; G391-D418 WeakPolarHBondContact CA-OD1 3.46Å; G391-D418 WeakPolarHBondContact CA-OD2 3.48Å; G391-D418 PolarHBondContact N-OD1 3.36Å; G391-D418 PolarHBondContact N-OD2 3.1Å; D418-Y420 VanDerWaalsContact C-N 3.33Å; D418-Y420 PolarHBondContact O-N 2.7Å; D418-L421 WeakPolarHBondContact O-CB 3.25Å; D418-L421 PolarHBondContact O-N 3.21Å; D418-G422 PolarHBondContact O-N 2.97Å; D418-G422 VanDerWaalsContact O-N 3.13Å
419A95.9Very high94.7Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-66.5-36.7178.700000111.7Y385 Y388 I414 I416 D417 L421 G422 I423Y385-A419 HydrophobicContact CD1-CB 3.72Å; Y385-A419 HydrophobicContact CD2-CB 4Å; Y385-A419 HydrophobicContact CE1-CB 3.71Å; Y385-A419 HydrophobicContact CE2-CB 3.97Å; Y385-A419 HydrophobicContact CG-CB 3.87Å; Y388-A419 HydrophobicContact CD1-CB 4.47Å; Y388-A419 HydrophobicContact CE1-CB 4.42Å; I414-A419 HydrophobicContact CD1-CB 3.89Å; I416-A419 HydrophobicContact CB-CB 4.14Å; I416-A419 HydrophobicContact CG2-CB 3.9Å; I416-A419 PolarHBondContact O-N 2.72Å; D417-A419 PolarHBondContact O-N 3.08Å; A419-L421 VanDerWaalsContact C-N 3.34Å; A419-G422 PolarHBondContact O-N 2.95Å; A419-I423 WeakPolarHBondContact O-CG1 3.48Å; A419-I423 PolarHBondContact O-N 2.88Å
420Y97Very high94.6Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-62.8-42.4175.7-172.4-119.8000111.2N171 L302 V303 S408 T411 Q412 I414 I416 D417 D418 G422 I423 L424N171-Y420 PolarHBondContact ND2-OH 2.73Å; N171-Y420 VanDerWaalsContact ND2-OH 3.13Å; L302-Y420 HydrophobicContact CD2-CD1 4.23Å; V303-Y420 HydrophobicContact CG2-CD1 4.5Å; V303-Y420 HydrophobicContact CG2-CE1 3.63Å; S408-Y420 PolarHBondContact O-OH 2.91Å; S408-Y420 VanDerWaalsContact O-OH 3.12Å; T411-Y420 HydrophobicContact CG2-CE2 3.86Å; T411-Y420 PolarHBondContact O-OH 3.32Å; Q412-Y420 VanDerWaalsContact O-CE2 3.24Å; Q412-Y420 WeakPolarHBondContact O-CE2 2.98Å; I414-Y420 HydrophobicContact CG1-CD2 3.95Å; I414-Y420 HydrophobicContact CG1-CG 4.23Å; I416-Y420 WeakPolarHBondContact O-CB 3.43Å; I416-Y420 PolarHBondContact O-N 2.77Å; D417-Y420 PolarHBondContact O-N 2.88Å; D418-Y420 VanDerWaalsContact C-N 3.33Å; D418-Y420 PolarHBondContact O-N 2.7Å; Y420-G422 VanDerWaalsContact C-N 3.31Å; Y420-G422 PolarHBondContact O-N 2.81Å; Y420-I423 WeakPolarHBondContact O-CB 3.21Å; Y420-I423 PolarHBondContact O-N 3.18Å; Y420-I423 VanDerWaalsContact O-N 3.12Å; Y420-L424 HydrophobicContact CD1-CD1 4.1Å; Y420-L424 HydrophobicContact CE1-CD1 3.84Å; Y420-L424 HydrophobicContact CE1-CD2 4.47Å; Y420-L424 HydrophobicContact CE1-CG 4.3Å; Y420-L424 WeakPolarHBondContact O-CG 3.4Å; Y420-L424 PolarHBondContact O-N 3.05Å
421L97.5Very high94.5Very high2 Ų222.6 Ų22.61%0.0112%0.115CC..Hα-helixtrans-58.8-42.1173.5-17957.9000111.8L302 F306 F389 Y394 L404 D417 D418 A419 I423 L424 F425L302-L421 HydrophobicContact CD2-CB 4.11Å; F306-L421 HydrophobicContact CE2-CD1 3.94Å; F306-L421 HydrophobicContact CZ-CD1 3.89Å; F389-L421 HydrophobicContact CD2-CD2 4.36Å; Y394-L421 HydrophobicContact CD2-CD2 4.27Å; Y394-L421 HydrophobicContact CE1-CD2 4.44Å; Y394-L421 HydrophobicContact CE2-CD2 3.97Å; L404-L421 HydrophobicContact CD1-CD1 3.88Å; L404-L421 HydrophobicContact CD2-CD1 4.09Å; D417-L421 PolarHBondContact O-N 3.12Å; D418-L421 WeakPolarHBondContact O-CB 3.25Å; D418-L421 PolarHBondContact O-N 3.21Å; A419-L421 VanDerWaalsContact C-N 3.34Å; L421-I423 VanDerWaalsContact C-N 3.35Å; L421-I423 PolarHBondContact O-N 3.34Å; L421-L424 PolarHBondContact O-N 3.29Å; L421-F425 HydrophobicContact CD1-CE1 4.08Å; L421-F425 HydrophobicContact CD1-CE2 3.94Å; L421-F425 HydrophobicContact CD1-CZ 3.69Å; L421-F425 HydrophobicContact CD2-CE2 4Å; L421-F425 HydrophobicContact CD2-CZ 4.12Å; L421-F425 HydrophobicContact CG-CD2 4.16Å; L421-F425 HydrophobicContact CG-CE2 3.56Å; L421-F425 HydrophobicContact CG-CZ 3.81Å; L421-F425 WeakPolarHBondContact O-CD2 3.23Å; L421-F425 WeakPolarHBondContact O-CG 2.93Å; L421-F425 PolarHBondContact O-N 3.06Å
422G95.5Very high94.6Very high0 Ų022.8 Ų22.80%012%0.116CC..Hα-helixtrans-59.7-42.1172.800000113.8P386 P387 D418 A419 Y420 L424 F425 N426P386-G422 VanDerWaalsContact CG-C 3.46Å; P386-G422 WeakPolarHBondContact CG-O 3.29Å; P387-G422 VanDerWaalsContact O-CA 3.3Å; P387-G422 WeakPolarHBondContact O-CA 3.24Å; D418-G422 PolarHBondContact O-N 2.97Å; D418-G422 VanDerWaalsContact O-N 3.13Å; A419-G422 PolarHBondContact O-N 2.95Å; Y420-G422 VanDerWaalsContact C-N 3.31Å; Y420-G422 PolarHBondContact O-N 2.81Å; G422-L424 VanDerWaalsContact C-N 3.31Å; G422-L424 PolarHBondContact O-N 2.88Å; G422-F425 PolarHBondContact O-N 3.34Å; G422-N426 WeakPolarHBondContact O-CB 3.35Å; G422-N426 PolarHBondContact O-N 3.48Å
423I93.9Very high94.8Very high13 Ų1328.8 Ų28.87%0.06714%0.137CC..Hα-helixtrans-61.8-43.4176.6-65165.1000110F380 P386 T411 I414 A419 Y420 L421 N426 K427F380-I423 HydrophobicContact CD2-CD1 3.51Å; F380-I423 HydrophobicContact CD2-CG1 4.29Å; F380-I423 HydrophobicContact CE2-CD1 3.54Å; F380-I423 HydrophobicContact CE2-CG1 3.79Å; F380-I423 HydrophobicContact CG-CD1 4.39Å; F380-I423 HydrophobicContact CZ-CD1 4.41Å; F380-I423 HydrophobicContact CZ-CG1 4.48Å; P386-I423 HydrophobicContact CG-CB 4.5Å; P386-I423 HydrophobicContact CG-CG1 3.99Å; T411-I423 HydrophobicContact CG2-CG2 3.61Å; I414-I423 HydrophobicContact CD1-CD1 3.7Å; I414-I423 HydrophobicContact CG1-CD1 4.41Å; I414-I423 HydrophobicContact CG2-CD1 4.43Å; A419-I423 WeakPolarHBondContact O-CG1 3.48Å; A419-I423 PolarHBondContact O-N 2.88Å; Y420-I423 WeakPolarHBondContact O-CB 3.21Å; Y420-I423 PolarHBondContact O-N 3.18Å; Y420-I423 VanDerWaalsContact O-N 3.12Å; L421-I423 VanDerWaalsContact C-N 3.35Å; L421-I423 PolarHBondContact O-N 3.34Å; I423-N426 PolarHBondContact O-N 3.37Å; I423-K427 HydrophobicContact CG2-CG 4.49Å; I423-K427 WeakPolarHBondContact O-CG 3.35Å; I423-K427 PolarHBondContact O-N 3.35Å
424L95.7Very high94.9Very high0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-63.1-43.5176.5-63.6174.2000112.2L404 A407 T411 Y420 L421 G422 N426 K427 L428L404-L424 HydrophobicContact CD2-CB 3.48Å; L404-L424 VanDerWaalsContact CD2-CB 3.48Å; L404-L424 HydrophobicContact CD2-CD1 4.07Å; L404-L424 HydrophobicContact CD2-CG 4.4Å; A407-L424 HydrophobicContact CB-CD2 4.18Å; T411-L424 HydrophobicContact CG2-CD2 3.89Å; T411-L424 WeakPolarHBondContact OG1-CD2 3.11Å; Y420-L424 HydrophobicContact CD1-CD1 4.1Å; Y420-L424 HydrophobicContact CE1-CD1 3.84Å; Y420-L424 HydrophobicContact CE1-CD2 4.47Å; Y420-L424 HydrophobicContact CE1-CG 4.3Å; Y420-L424 WeakPolarHBondContact O-CG 3.4Å; Y420-L424 PolarHBondContact O-N 3.05Å; L421-L424 PolarHBondContact O-N 3.29Å; G422-L424 VanDerWaalsContact C-N 3.31Å; G422-L424 PolarHBondContact O-N 2.88Å; L424-N426 VanDerWaalsContact C-N 3.33Å; L424-N426 PolarHBondContact O-N 3Å; L424-K427 PolarHBondContact O-N 3.45Å; L424-L428 WeakPolarHBondContact O-CB 3.45Å; L424-L428 WeakPolarHBondContact O-CG 3.48Å; L424-L428 PolarHBondContact O-N 3.35Å
425F95.4Very high95Very high1 Ų131.7 Ų31.70%0.00415%0.154CC..Hα-helixtrans-58.3-46.4173.6-71.2-38000111.8T350 F389 L396 I400 L404 L421 G422 K427 L428 N429 I430 P432T350-F425 HydrophobicContact CG2-CE1 3.98Å; T350-F425 HydrophobicContact CG2-CZ 4.35Å; F389-F425 AromaticContact CD2-CE2 3.79Å; F389-F425 HydrophobicContact CD2-CE2 3.79Å; F389-F425 HydrophobicContact CD2-CZ 4.12Å; F389-F425 AromaticContact CE2-CE2 3.66Å; F389-F425 HydrophobicContact CE2-CE2 3.66Å; F389-F425 AromaticContact CE2-CZ 3.76Å; F389-F425 HydrophobicContact CE2-CZ 3.76Å; F389-F425 HydrophobicContact CZ-CE2 4.4Å; L396-F425 HydrophobicContact CD2-CE1 4.09Å; L396-F425 HydrophobicContact CD2-CZ 3.67Å; I400-F425 HydrophobicContact CG2-CE1 4.1Å; L404-F425 HydrophobicContact CD1-CE1 4.13Å; L404-F425 HydrophobicContact CD2-CD1 4.18Å; L404-F425 HydrophobicContact CD2-CE1 4.23Å; L421-F425 HydrophobicContact CD1-CE1 4.08Å; L421-F425 HydrophobicContact CD1-CE2 3.94Å; L421-F425 HydrophobicContact CD1-CZ 3.69Å; L421-F425 HydrophobicContact CD2-CE2 4Å; L421-F425 HydrophobicContact CD2-CZ 4.12Å; L421-F425 HydrophobicContact CG-CD2 4.16Å; L421-F425 HydrophobicContact CG-CE2 3.56Å; L421-F425 HydrophobicContact CG-CZ 3.81Å; L421-F425 WeakPolarHBondContact O-CD2 3.23Å; L421-F425 WeakPolarHBondContact O-CG 2.93Å; L421-F425 PolarHBondContact O-N 3.06Å; G422-F425 PolarHBondContact O-N 3.34Å; F425-K427 PolarHBondContact O-N 3.06Å; F425-L428 CarbonylContact O-C 3.52Å; F425-L428 PolarHBondContact O-N 2.9Å; F425-L428 VanDerWaalsContact O-N 3.13Å; F425-N429 PolarHBondContact O-N 2.78Å; F425-N429 VanDerWaalsContact O-N 3.11Å; F425-I430 HydrophobicContact CB-CB 4.16Å; F425-I430 HydrophobicContact CB-CG2 4.42Å; F425-I430 HydrophobicContact CD1-CB 4Å; F425-I430 HydrophobicContact CD1-CD1 4.23Å; F425-I430 HydrophobicContact CD1-CG2 3.72Å; F425-I430 HydrophobicContact CE1-CG2 4.29Å; F425-I430 HydrophobicContact CG-CB 4.43Å; F425-I430 HydrophobicContact CG-CG2 4.24Å; F425-I430 PolarHBondContact O-N 2.89Å; F425-P432 HydrophobicContact CD2-CB 3.91Å; F425-P432 HydrophobicContact CD2-CG 4.21Å; F425-P432 HydrophobicContact CE2-CB 4.04Å
426N92.2Very high94.9Very high37 Ų3738.1 Ų38.120%0.19819%0.189CC..Hα-helixtrans-62.3-42.2179-171.981.6000112.1N144 P386 G422 I423 L424 L428 N429N144-N426 PolarHBondContact OD1-ND2 2.75Å; P386-N426 HydrophobicContact CB-CB 3.69Å; P386-N426 HydrophobicContact CG-CB 3.91Å; G422-N426 WeakPolarHBondContact O-CB 3.35Å; G422-N426 PolarHBondContact O-N 3.48Å; I423-N426 PolarHBondContact O-N 3.37Å; L424-N426 VanDerWaalsContact C-N 3.33Å; L424-N426 PolarHBondContact O-N 3Å; N426-L428 VanDerWaalsContact C-N 3.26Å; N426-L428 PolarHBondContact O-N 3.43Å; N426-N429 PolarHBondContact O-N 3.35Å; N426-N429 VanDerWaalsContact O-N 3.17Å
427K91.6Very high94.9Very high19 Ų1939.2 Ų39.28%0.08320%0.195CC..Hα-helixtrans-60.6-35.1174.2-73.4-59.7-164.4171.50112.8N144 F146 Q148 F152 I423 L424 F425 N429N144-K427 PolarHBondContact O-NZ 2.72Å; F146-K427 WeakPolarHBondContact O-CE 3.39Å; F146-K427 PolarHBondContact O-NZ 2.81Å; Q148-K427 PolarHBondContact O-NZ 3.41Å; F152-K427 WeakPolarHBondContact CB-O 2.95Å; F152-K427 HydrophobicContact CD1-CB 4.04Å; F152-K427 HydrophobicContact CD2-CB 3.94Å; F152-K427 HydrophobicContact CD2-CD 4.14Å; F152-K427 HydrophobicContact CD2-CG 4.46Å; F152-K427 HydrophobicContact CE1-CB 3.91Å; F152-K427 HydrophobicContact CE1-CG 4.35Å; F152-K427 HydrophobicContact CE2-CB 3.86Å; F152-K427 HydrophobicContact CE2-CD 3.54Å; F152-K427 HydrophobicContact CE2-CG 3.92Å; F152-K427 HydrophobicContact CG-CB 4.05Å; F152-K427 HydrophobicContact CZ-CB 3.83Å; F152-K427 HydrophobicContact CZ-CD 3.92Å; F152-K427 HydrophobicContact CZ-CG 3.84Å; I423-K427 HydrophobicContact CG2-CG 4.49Å; I423-K427 WeakPolarHBondContact O-CG 3.35Å; I423-K427 PolarHBondContact O-N 3.35Å; L424-K427 PolarHBondContact O-N 3.45Å; F425-K427 PolarHBondContact O-N 3.06Å; K427-N429 VanDerWaalsContact C-N 3.32Å
428L94.2Very high94.9Very high2 Ų239 Ų391%0.0119%0.193CC..THydrogen-bonded Turntrans-87.25.5179-69.4168.7000114F152 I156 R403 L404 A407 L424 F425 N426 I430F152-L428 HydrophobicContact CB-CD2 4.19Å; F152-L428 HydrophobicContact CD1-CD2 4.31Å; I156-L428 HydrophobicContact CD1-CD2 4.17Å; I156-L428 HydrophobicContact CG1-CD2 3.88Å; R403-L428 HydrophobicContact CB-CD1 3.88Å; R403-L428 HydrophobicContact CB-CD2 4.06Å; R403-L428 PolarHBondContact NH2-O 3.37Å; R403-L428 VanDerWaalsContact NH2-O 3.16Å; L404-L428 HydrophobicContact CD2-CD1 3.79Å; L404-L428 HydrophobicContact CG-CD1 4.26Å; A407-L428 HydrophobicContact CB-CD1 4.05Å; A407-L428 HydrophobicContact CB-CD2 4.11Å; A407-L428 HydrophobicContact CB-CG 4.09Å; L424-L428 WeakPolarHBondContact O-CB 3.45Å; L424-L428 WeakPolarHBondContact O-CG 3.48Å; L424-L428 PolarHBondContact O-N 3.35Å; F425-L428 CarbonylContact O-C 3.52Å; F425-L428 PolarHBondContact O-N 2.9Å; F425-L428 VanDerWaalsContact O-N 3.13Å; N426-L428 VanDerWaalsContact C-N 3.26Å; N426-L428 PolarHBondContact O-N 3.43Å; L428-I430 HydrophobicContact CB-CD1 3.66Å; L428-I430 HydrophobicContact CB-CG1 3.85Å; L428-I430 HydrophobicContact CD1-CD1 3.9Å; L428-I430 HydrophobicContact CG-CD1 4.43Å; L428-I430 PolarHBondContact O-N 3.41Å
429N92.5Very high94.7Very high116 Ų11639.3 Ų39.362%0.6220%0.198SC*.THydrogen-bonded Turntrans52.931.5-171.8-60.1-53.2000113.5F425 N426 K427F425-N429 PolarHBondContact O-N 2.78Å; F425-N429 VanDerWaalsContact O-N 3.11Å; N426-N429 PolarHBondContact O-N 3.35Å; N426-N429 VanDerWaalsContact O-N 3.17Å; K427-N429 VanDerWaalsContact C-N 3.32Å
430I94.1Very high94.5Very high22 Ų2242.4 Ų42.411%0.11321%0.214CC..  trans-91.7128.1176.8-65.2169.1000108.8T350 I400 F425 L428 P432T350-I430 HydrophobicContact CG2-CG2 3.82Å; I400-I430 HydrophobicContact CD1-CD1 4.14Å; I400-I430 HydrophobicContact CG2-CD1 4.21Å; F425-I430 HydrophobicContact CB-CB 4.16Å; F425-I430 HydrophobicContact CB-CG2 4.42Å; F425-I430 HydrophobicContact CD1-CB 4Å; F425-I430 HydrophobicContact CD1-CD1 4.23Å; F425-I430 HydrophobicContact CD1-CG2 3.72Å; F425-I430 HydrophobicContact CE1-CG2 4.29Å; F425-I430 HydrophobicContact CG-CB 4.43Å; F425-I430 HydrophobicContact CG-CG2 4.24Å; F425-I430 PolarHBondContact O-N 2.89Å; L428-I430 HydrophobicContact CB-CD1 3.66Å; L428-I430 HydrophobicContact CB-CG1 3.85Å; L428-I430 HydrophobicContact CD1-CD1 3.9Å; L428-I430 HydrophobicContact CG-CD1 4.43Å; L428-I430 PolarHBondContact O-N 3.41Å; I430-P432 WeakPolarHBondContact O-CD 3.36Å
431I91.6Very high94.1Very high109 Ų10945.4 Ų45.456%0.55924%0.239SC*.  trans-90.5112.2171.1-58.3174.9000108.1R433I431-R433 PolarHBondContact O-N 2.86Å
432P93.7Very high93.6Very high4 Ų445.3 Ų45.33%0.02624%0.238CC..PPolyproline II helixtrans-61.8125.4175.223.7-32000109.9R354 P387 F389 F425 I430R354-P432 WeakPolarHBondContact CD-O 3.43Å; R354-P432 HydrophobicContact CG-CG 4.43Å; R354-P432 PolarHBondContact NE-O 3.41Å; P387-P432 HydrophobicContact CB-CG 3.72Å; F389-P432 HydrophobicContact CD1-CB 4.08Å; F389-P432 HydrophobicContact CE1-CB 3.41Å; F389-P432 VanDerWaalsContact CE1-CB 3.41Å; F389-P432 HydrophobicContact CE2-CB 4.15Å; F389-P432 HydrophobicContact CZ-CB 3.45Å; F389-P432 VanDerWaalsContact CZ-CB 3.45Å; F425-P432 HydrophobicContact CD2-CB 3.91Å; F425-P432 HydrophobicContact CD2-CG 4.21Å; F425-P432 HydrophobicContact CE2-CB 4.04Å; I430-P432 WeakPolarHBondContact O-CD 3.36Å
433R95.4Very high93.3Very high166 Ų16646 Ų4663%0.62625%0.246SC*.PPolyproline II helixtrans-92.8135.6-178.3-58-174.9176-179.8-0.6111.5T350 G351 G352 F389 I431T350-R433 WeakPolarHBondContact O-CB 3.26Å; G351-R433 WeakPolarHBondContact CA-O 3.27Å; G352-R433 PolarHBondContact N-O 3.38Å; F389-R433 WeakPolarHBondContact CE1-O 3.41Å; I431-R433 PolarHBondContact O-N 2.86Å
434N96.1Very high93Very high75 Ų7546.3 Ų46.340%0.40125%0.252SS..BIsolated β-bridgetrans-67.2136.4170.1-16069000109.1G352 R354 D436G352-N434 CarbonylContact O-C 3.34Å; G352-N434 VanDerWaalsContact O-CA 3.28Å; G352-N434 WeakPolarHBondContact O-CA 3.34Å; G352-N434 PolarHBondContact O-OD1 3.3Å; R354-N434 HydrophobicContact CB-CB 4.23Å; R354-N434 PolarHBondContact N-OD1 2.96Å; N434-D436 PolarHBondContact ND2-OD1 3.32Å
435L95.6Very high92.8Very high27 Ų2750.6 Ų50.614%0.14128%0.28CS..  trans-116.5113.7167-73-173.4000108.9F337 G351 G352 I395 I437 I438F337-L435 HydrophobicContact CE2-CD1 4.29Å; F337-L435 HydrophobicContact CZ-CD1 4.07Å; G351-L435 VanDerWaalsContact CA-CD1 3.48Å; G352-L435 PolarHBondContact O-N 3.27Å; I395-L435 HydrophobicContact CD1-CD1 4.26Å; L435-I437 HydrophobicContact CB-CG1 4.23Å; L435-I437 PolarHBondContact O-N 3.22Å; L435-I437 VanDerWaalsContact O-N 3.13Å; L435-I438 HydrophobicContact CB-CD1 4.09Å; L435-I438 HydrophobicContact CB-CG1 4.2Å; L435-I438 HydrophobicContact CD1-CD1 4.14Å; L435-I438 PolarHBondContact O-N 3.43Å
436D94.2Very high92.7Very high145 Ų14553.9 Ų53.978%0.77530%0.298SS*.THydrogen-bonded Turntrans-67.8-15.1-174.3-56.9-26.4000113N434 I438N434-D436 PolarHBondContact ND2-OD1 3.32Å; D436-I438 PolarHBondContact O-N 3Å
437I96.7Very high92.8Very high41 Ų4152.2 Ų52.221%0.2129%0.288CS..THydrogen-bonded Turntrans-77-0.7171.767.4-179.9000113.2F337 L435 G450 A451 I452F337-I437 HydrophobicContact CB-CD1 3.98Å; F337-I437 HydrophobicContact CD1-CD1 4.47Å; F337-I437 HydrophobicContact CD2-CD1 3.19Å; F337-I437 HydrophobicContact CE2-CD1 3.72Å; F337-I437 HydrophobicContact CG-CD1 3.62Å; L435-I437 HydrophobicContact CB-CG1 4.23Å; L435-I437 PolarHBondContact O-N 3.22Å; L435-I437 VanDerWaalsContact O-N 3.13Å; I437-G450 WeakPolarHBondContact CB-O 3.48Å; I437-A451 CarbonylContact O-C 3.47Å; I437-A451 VanDerWaalsContact O-CA 3.22Å; I437-A451 WeakPolarHBondContact O-CA 3.44Å; I437-I452 HydrophobicContact CB-CG2 4.2Å; I437-I452 HydrophobicContact CD1-CD1 4.43Å; I437-I452 HydrophobicContact CD1-CG2 3.76Å; I437-I452 HydrophobicContact CG1-CD1 4.49Å; I437-I452 HydrophobicContact CG1-CG1 4.43Å; I437-I452 HydrophobicContact CG1-CG2 4.08Å; I437-I452 WeakPolarHBondContact O-CG1 3.14Å; I437-I452 PolarHBondContact O-N 3.2Å
438I97Very high92.9Very high8 Ų856.1 Ų56.14%0.04131%0.307CS..  trans-115.4127.9177.2-54.9178.4000108.2I353 T393 I395 L435 D436 I452 N453I353-I438 HydrophobicContact CD1-CG2 4Å; I353-I438 HydrophobicContact CG1-CB 4.09Å; I353-I438 HydrophobicContact CG1-CG2 3.7Å; I353-I438 WeakPolarHBondContact CG1-O 3.48Å; T393-I438 HydrophobicContact CG2-CD1 4.48Å; T393-I438 HydrophobicContact CG2-CG2 4.21Å; I395-I438 HydrophobicContact CD1-CD1 4.44Å; I395-I438 HydrophobicContact CG1-CD1 4.41Å; L435-I438 HydrophobicContact CB-CD1 4.09Å; L435-I438 HydrophobicContact CB-CG1 4.2Å; L435-I438 HydrophobicContact CD1-CD1 4.14Å; L435-I438 PolarHBondContact O-N 3.43Å; D436-I438 PolarHBondContact O-N 3Å; I438-I452 HydrophobicContact CD1-CD1 3.97Å; I438-I452 HydrophobicContact CG1-CD1 3.7Å; I438-I452 HydrophobicContact CG1-CG1 3.79Å; I438-N453 WeakPolarHBondContact CA-OD1 3.42Å; I438-N453 WeakPolarHBondContact CG2-OD1 3.19Å
439S93.5Very high92.9Very high39 Ų3961.1 Ų61.127%0.27334%0.342SS..  trans-142.5150.4178.8170.60000111.9I353 A441 S442 N453I353-S439 VanDerWaalsContact CD1-C 3.46Å; I353-S439 VanDerWaalsContact CD1-CA 3.46Å; S439-A441 PolarHBondContact O-N 3.48Å; S439-A441 PolarHBondContact OG-N 2.83Å; S439-S442 WeakPolarHBondContact CB-OG 3.28Å; S439-N453 PolarHBondContact N-OD1 3.35Å; S439-N453 PolarHBondContact O-ND2 3.02Å; S439-N453 PolarHBondContact O-OD1 3.48Å
440L90.6Very high93.1Very high64 Ų6456.1 Ų56.134%0.33532%0.318SS..SBendtrans-74.4-17.3177.2-65.5179.3000112.6Y327 I353 Y390 A392 P455Y327-L440 PolarHBondContact OH-O 3.32Å; Y327-L440 VanDerWaalsContact OH-O 3.1Å; I353-L440 HydrophobicContact CD1-CB 4.43Å; I353-L440 HydrophobicContact CD1-CD2 3.77Å; I353-L440 HydrophobicContact CD1-CG 3.64Å; Y390-L440 HydrophobicContact CD1-CD1 3.93Å; Y390-L440 HydrophobicContact CD1-CD2 4.48Å; Y390-L440 HydrophobicContact CD2-CD1 4.45Å; Y390-L440 HydrophobicContact CE1-CD1 3.98Å; Y390-L440 HydrophobicContact CE2-CD1 4.5Å; Y390-L440 HydrophobicContact CG-CD1 4.16Å; Y390-L440 HydrophobicContact CG-CD2 4.27Å; A392-L440 HydrophobicContact CB-CD2 3.57Å; L440-P455 WeakPolarHBondContact O-CG 3.41Å
441A90.2Very high93.3Very high63 Ų6355.3 Ų55.352%0.52132%0.315SS..SBendtrans-140.331.2-169.900000112.8S439 G443S439-A441 PolarHBondContact O-N 3.48Å; S439-A441 PolarHBondContact OG-N 2.83Å; A441-G443 PolarHBondContact O-N 3.37Å
442S85Confident93.6Very high0 Ų050.2 Ų50.20%029%0.288CS..  trans-52.8126.6179.8-45.50000111.7S439 D446 N453 V454S439-S442 WeakPolarHBondContact CB-OG 3.28Å; S442-D446 WeakPolarHBondContact CA-OD2 3.33Å; S442-N453 WeakPolarHBondContact CB-O 3.46Å; S442-N453 PolarHBondContact OG-O 3.08Å; S442-V454 WeakPolarHBondContact O-CG2 3.35Å
443G89.3Confident93.8Very high16 Ų1650 Ų5017%0.16529%0.287CS..  trans-109.1-166.9168.900000112.2A441 D446 I447A441-G443 PolarHBondContact O-N 3.37Å; G443-D446 PolarHBondContact N-OD2 3.37Å; G443-D446 PolarHBondContact O-N 3.47Å; G443-I447 VanDerWaalsContact O-CG1 3.3Å; G443-I447 WeakPolarHBondContact O-CG1 3.45Å; G443-I447 PolarHBondContact O-N 3.09Å
444G88Confident93.9Very high18 Ų1842.1 Ų42.119%0.18626%0.257CS..Hα-helixtrans-51.7-52.5176.800000113.6D446 I447 E448G444-D446 VanDerWaalsContact C-N 3.32Å; G444-D446 PolarHBondContact O-N 3.13Å; G444-I447 WeakPolarHBondContact O-CB 3.44Å; G444-I447 PolarHBondContact O-N 2.88Å; G444-I447 VanDerWaalsContact O-N 3.12Å; G444-E448 WeakPolarHBondContact O-CG 3.47Å; G444-E448 PolarHBondContact O-N 3.5Å
445P91.7Very high93.9Very high91 Ų9138.7 Ų38.759%0.59124%0.239SC*.Hα-helixtrans-60.4-36.8179.6-26.736000114.1E448 S449P445-E448 PolarHBondContact O-N 2.93Å; P445-S449 WeakPolarHBondContact O-CB 3.46Å; P445-S449 PolarHBondContact O-N 3.29Å; P445-S449 PolarHBondContact O-OG 2.94Å
446D94.1Very high93.9Very high70 Ų7038.8 Ų38.837%0.37424%0.239SC..Hα-helixtrans-67.6-40.9176.7-54.2-73.2000110.8S442 G443 G444 S449 G450 A451S442-D446 WeakPolarHBondContact CA-OD2 3.33Å; G443-D446 PolarHBondContact N-OD2 3.37Å; G443-D446 PolarHBondContact O-N 3.47Å; G444-D446 VanDerWaalsContact C-N 3.32Å; G444-D446 PolarHBondContact O-N 3.13Å; D446-S449 CarbonylContact O-C 3.59Å; D446-S449 WeakPolarHBondContact O-CA 3.05Å; D446-S449 WeakPolarHBondContact O-CB 3.26Å; D446-S449 PolarHBondContact O-N 3.01Å; D446-S449 VanDerWaalsContact O-N 3.15Å; D446-G450 PolarHBondContact O-N 3.08Å; D446-G450 VanDerWaalsContact O-N 3.08Å; D446-A451 VanDerWaalsContact C-CB 3.5Å; D446-A451 HydrophobicContact CB-CB 3.9Å; D446-A451 WeakPolarHBondContact O-CB 3.17Å; D446-A451 PolarHBondContact O-N 3.19Å
447I94.6Very high93.9Very high1 Ų139 Ų391%0.00523%0.23CC..Hα-helixtrans-63-43.5176.3-68.6174.5000111V330 W332 N333 G443 G444 S449 G450 V454 I462 I463 L470V330-I447 HydrophobicContact CG1-CG2 3.95Å; V330-I447 HydrophobicContact CG2-CD1 4.08Å; V330-I447 HydrophobicContact CG2-CG1 4.01Å; V330-I447 HydrophobicContact CG2-CG2 4.42Å; W332-I447 HydrophobicContact CZ2-CG2 3.71Å; N333-I447 PolarHBondContact ND2-O 3.4Å; G443-I447 VanDerWaalsContact O-CG1 3.3Å; G443-I447 WeakPolarHBondContact O-CG1 3.45Å; G443-I447 PolarHBondContact O-N 3.09Å; G444-I447 WeakPolarHBondContact O-CB 3.44Å; G444-I447 PolarHBondContact O-N 2.88Å; G444-I447 VanDerWaalsContact O-N 3.12Å; I447-S449 PolarHBondContact O-N 3.45Å; I447-G450 PolarHBondContact O-N 3.02Å; I447-V454 HydrophobicContact CD1-CB 4.22Å; I447-V454 HydrophobicContact CD1-CG1 4.37Å; I447-V454 HydrophobicContact CD1-CG2 4.31Å; I447-I462 HydrophobicContact CD1-CD1 3.69Å; I447-I462 HydrophobicContact CD1-CG1 4.5Å; I447-I463 HydrophobicContact CD1-CD1 4.15Å; I447-I463 HydrophobicContact CD1-CG1 4.5Å; I447-L470 HydrophobicContact CD1-CD2 4.14Å; I447-L470 HydrophobicContact CG2-CD1 4.13Å; I447-L470 HydrophobicContact CG2-CD2 4.09Å; I447-L470 HydrophobicContact CG2-CG 4.32Å
448E93.8Very high93.8Very high102 Ų10238 Ų3848%0.47723%0.225SC..Hα-helixtrans-61.6-33.9174.5-70.3174.8163.600111.5G444 P445 G450 L470G444-E448 WeakPolarHBondContact O-CG 3.47Å; G444-E448 PolarHBondContact O-N 3.5Å; P445-E448 PolarHBondContact O-N 2.93Å; E448-G450 VanDerWaalsContact C-N 3.27Å; E448-G450 PolarHBondContact O-N 2.96Å; E448-L470 HydrophobicContact CG-CD1 3.6Å
449S94.2Very high93.7Very high107 Ų10737.6 Ų37.675%0.74822%0.223SC*.THydrogen-bonded Turntrans-78.4-5.7175.7-56.40000114.2P445 D446 I447P445-S449 WeakPolarHBondContact O-CB 3.46Å; P445-S449 PolarHBondContact O-N 3.29Å; P445-S449 PolarHBondContact O-OG 2.94Å; D446-S449 CarbonylContact O-C 3.59Å; D446-S449 WeakPolarHBondContact O-CA 3.05Å; D446-S449 WeakPolarHBondContact O-CB 3.26Å; D446-S449 PolarHBondContact O-N 3.01Å; D446-S449 VanDerWaalsContact O-N 3.15Å; I447-S449 PolarHBondContact O-N 3.45Å
450G95.7Very high93.7Very high10 Ų1041.2 Ų41.210%0.10323%0.233CC..THydrogen-bonded Turntrans112.49.3174.900000115.9N333 I437 D446 I447 E448 I452N333-G450 WeakPolarHBondContact ND2-CA 3.49Å; I437-G450 WeakPolarHBondContact CB-O 3.48Å; D446-G450 PolarHBondContact O-N 3.08Å; D446-G450 VanDerWaalsContact O-N 3.08Å; I447-G450 PolarHBondContact O-N 3.02Å; E448-G450 VanDerWaalsContact C-N 3.27Å; E448-G450 PolarHBondContact O-N 2.96Å; G450-I452 PolarHBondContact O-N 3.4Å
451A97.6Very high93.8Very high6 Ų645.3 Ų45.35%0.0525%0.245CC..  trans-58.7132.8178.600000112.1V330 N333 I437 D446V330-A451 WeakPolarHBondContact CB-O 3.4Å; N333-A451 PolarHBondContact ND2-O 2.6Å; I437-A451 CarbonylContact O-C 3.47Å; I437-A451 VanDerWaalsContact O-CA 3.22Å; I437-A451 WeakPolarHBondContact O-CA 3.44Å; D446-A451 VanDerWaalsContact C-CB 3.5Å; D446-A451 HydrophobicContact CB-CB 3.9Å; D446-A451 WeakPolarHBondContact O-CB 3.17Å; D446-A451 PolarHBondContact O-N 3.19Å
452I97.9Very high94Very high1 Ų143.8 Ų43.81%0.00523%0.227CC..  trans-95-17.3-175.267.3169.5000113.7L321 L329 V330 N333 V334 I395 I437 I438 G450L321-I452 HydrophobicContact CD1-CD1 4.11Å; L329-I452 CarbonylContact C-O 3.48Å; L329-I452 WeakPolarHBondContact CA-O 3.4Å; L329-I452 WeakPolarHBondContact CD2-O 3.24Å; V330-I452 PolarHBondContact N-O 3.38Å; N333-I452 HydrophobicContact CB-CG2 3.99Å; V334-I452 HydrophobicContact CG2-CB 3.77Å; V334-I452 HydrophobicContact CG2-CG2 4.06Å; I395-I452 HydrophobicContact CD1-CD1 3.71Å; I395-I452 HydrophobicContact CG1-CD1 4.45Å; I437-I452 HydrophobicContact CB-CG2 4.2Å; I437-I452 HydrophobicContact CD1-CD1 4.43Å; I437-I452 HydrophobicContact CD1-CG2 3.76Å; I437-I452 HydrophobicContact CG1-CD1 4.49Å; I437-I452 HydrophobicContact CG1-CG1 4.43Å; I437-I452 HydrophobicContact CG1-CG2 4.08Å; I437-I452 WeakPolarHBondContact O-CG1 3.14Å; I437-I452 PolarHBondContact O-N 3.2Å; I438-I452 HydrophobicContact CD1-CD1 3.97Å; I438-I452 HydrophobicContact CG1-CD1 3.7Å; I438-I452 HydrophobicContact CG1-CG1 3.79Å; G450-I452 PolarHBondContact O-N 3.4Å
453N97.9Very high94.5Very high0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-128.3149.3-178.375.8-53.6000110.4Y327 D328 T393 I438 S439 S442Y327-N453 WeakPolarHBondContact CD1-ND2 3.49Å; D328-N453 CarbonylContact O-C 3.47Å; D328-N453 WeakPolarHBondContact O-CA 3.45Å; T393-N453 HydrophobicContact CG2-CB 4.03Å; T393-N453 WeakPolarHBondContact OG1-CB 3.39Å; T393-N453 PolarHBondContact OG1-ND2 3.35Å; I438-N453 WeakPolarHBondContact CA-OD1 3.42Å; I438-N453 WeakPolarHBondContact CG2-OD1 3.19Å; S439-N453 PolarHBondContact N-OD1 3.35Å; S439-N453 PolarHBondContact O-ND2 3.02Å; S439-N453 PolarHBondContact O-OD1 3.48Å; S442-N453 WeakPolarHBondContact CB-O 3.46Å; S442-N453 PolarHBondContact OG-O 3.08Å
454V97.5Very high94.8Very high0 Ų045.3 Ų45.30%023%0.232CC..EExtended strand (participates in β ladder)trans-148135.2-179.349.30000109.2Y327 D328 V330 S442 I447 H456 I458 I463Y327-V454 WeakPolarHBondContact CA-O 3.48Å; D328-V454 HydrophobicContact CB-CG1 4.16Å; D328-V454 PolarHBondContact N-O 2.75Å; D328-V454 PolarHBondContact O-N 2.85Å; V330-V454 HydrophobicContact CG2-CG1 4Å; S442-V454 WeakPolarHBondContact O-CG2 3.35Å; I447-V454 HydrophobicContact CD1-CB 4.22Å; I447-V454 HydrophobicContact CD1-CG1 4.37Å; I447-V454 HydrophobicContact CD1-CG2 4.31Å; V454-H456 PolarHBondContact O-N 2.89Å; V454-I458 HydrophobicContact CG2-CB 3.85Å; V454-I458 HydrophobicContact CG2-CG2 3.88Å; V454-I463 HydrophobicContact CG1-CD1 4.14Å
455P97.2Very high95.2Very high4 Ų445.5 Ų45.53%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-54.7135173.3-25.832.8000111.6Y327 L440 Y457 I458 S459Y327-P455 HydrophobicContact CD1-CG 4.16Å; Y327-P455 HydrophobicContact CE1-CB 4.35Å; Y327-P455 HydrophobicContact CE1-CG 3.68Å; L440-P455 WeakPolarHBondContact O-CG 3.41Å; P455-Y457 VanDerWaalsContact C-N 3.26Å; P455-Y457 HydrophobicContact CB-CD1 3.72Å; P455-Y457 HydrophobicContact CB-CE1 3.35Å; P455-Y457 HydrophobicContact CG-CE1 4.23Å; P455-Y457 PolarHBondContact O-N 3.45Å; P455-Y457 VanDerWaalsContact O-N 3.14Å; P455-I458 HydrophobicContact CB-CD1 4.18Å; P455-I458 HydrophobicContact CB-CG1 4.19Å; P455-I458 HydrophobicContact CG-CD1 3.98Å; P455-I458 WeakPolarHBondContact O-CA 3.44Å; P455-I458 WeakPolarHBondContact O-CB 3.3Å; P455-I458 PolarHBondContact O-N 3.33Å; P455-S459 PolarHBondContact O-N 3.05Å; P455-S459 VanDerWaalsContact O-N 3.07Å
456H94.5Very high95.3Very high29 Ų2949.8 Ų49.813%0.13424%0.236CC..Hα-helixtrans-53.7-39.5-173.7168.348000113.8H212 D326 D328 V454 I458 S459 K460H212-H456 AromaticContact CD2-CE1 3.27Å; H212-H456 PolarHBondContact CD2-CE1 2.89Å; H212-H456 AromaticContact CD2-CG 3.97Å; H212-H456 AromaticContact CD2-ND1 3.19Å; H212-H456 PolarHBondContact CD2-ND1 3.43Å; H212-H456 AromaticContact CE1-CE1 2.99Å; H212-H456 PolarHBondContact CE1-CE1 3.44Å; H212-H456 AromaticContact CE1-ND1 3.11Å; H212-H456 PolarHBondContact CE1-ND1 3.48Å; H212-H456 AromaticContact CG-CE1 3.19Å; H212-H456 AromaticContact CG-ND1 3.64Å; H212-H456 AromaticContact CG-NE2 3.9Å; H212-H456 AromaticContact ND1-CE1 3.03Å; H212-H456 PolarHBondContact ND1-CE1 3.12Å; H212-H456 AromaticContact ND1-ND1 3.62Å; H212-H456 AromaticContact NE2-CE1 3.16Å; H212-H456 PolarHBondContact NE2-CE1 3.28Å; H212-H456 AromaticContact NE2-CG 3.91Å; H212-H456 AromaticContact NE2-ND1 2.85Å; H212-H456 PolarHBondContact NE2-ND1 3.03Å; D326-H456 WeakPolarHBondContact O-CB 3.21Å; D326-H456 PolarHBondContact O-N 2.81Å; D328-H456 IonicContact OD2-ND1 3.66Å; D328-H456 PolarHBondContact OD2-ND1 3.34Å; V454-H456 PolarHBondContact O-N 2.89Å; H456-I458 PolarHBondContact O-N 2.87Å; H456-S459 PolarHBondContact O-N 2.85Å; H456-S459 PolarHBondContact O-OG 3.35Å; H456-K460 WeakPolarHBondContact CE1-CD 3.46Å; H456-K460 WeakPolarHBondContact CE1-CE 3.17Å; H456-K460 PolarHBondContact CE1-NZ 3.07Å; H456-K460 VanDerWaalsContact CE1-NZ 3.31Å; H456-K460 WeakPolarHBondContact NE2-CD 3.34Å; H456-K460 WeakPolarHBondContact NE2-CE 3.41Å; H456-K460 PolarHBondContact NE2-NZ 3.09Å; H456-K460 PolarHBondContact O-N 3.35Å
457Y93.9Very high95.2Very high149 Ų14950.3 Ų50.358%0.58424%0.242SC*.Hα-helixtrans-68.9-20.9178.373.6-88.7000113.5P455 R461P455-Y457 VanDerWaalsContact C-N 3.26Å; P455-Y457 HydrophobicContact CB-CD1 3.72Å; P455-Y457 HydrophobicContact CB-CE1 3.35Å; P455-Y457 HydrophobicContact CG-CE1 4.23Å; P455-Y457 PolarHBondContact O-N 3.45Å; P455-Y457 VanDerWaalsContact O-N 3.14Å; Y457-R461 PolarHBondContact O-NE 3.36Å; Y457-R461 VanDerWaalsContact O-NE 3.1Å
458I95.2Very high95Very high20 Ų2051 Ų5110%0.10325%0.249CC..Hα-helixtrans-83.4-50.7174.2-59.6-177.1000109.3V454 P455 H456 K460 R461 I462V454-I458 HydrophobicContact CG2-CB 3.85Å; V454-I458 HydrophobicContact CG2-CG2 3.88Å; P455-I458 HydrophobicContact CB-CD1 4.18Å; P455-I458 HydrophobicContact CB-CG1 4.19Å; P455-I458 HydrophobicContact CG-CD1 3.98Å; P455-I458 WeakPolarHBondContact O-CA 3.44Å; P455-I458 WeakPolarHBondContact O-CB 3.3Å; P455-I458 PolarHBondContact O-N 3.33Å; H456-I458 PolarHBondContact O-N 2.87Å; I458-K460 VanDerWaalsContact C-N 3.26Å; I458-K460 PolarHBondContact O-N 2.92Å; I458-R461 WeakPolarHBondContact O-CB 3.44Å; I458-R461 PolarHBondContact O-N 3.36Å; I458-I462 HydrophobicContact CG2-CD1 3.64Å; I458-I462 HydrophobicContact CG2-CG1 4.18Å; I458-I462 HydrophobicContact CG2-CG2 4.5Å; I458-I462 PolarHBondContact O-N 3.33Å
459S95.3Very high94.9Very high0 Ų052.9 Ų52.90%026%0.256CS..Hα-helixtrans-55.9-40-176.276.70000112.4D328 P455 H456 R461 I462 I463D328-S459 WeakPolarHBondContact OD2-CB 3.44Å; D328-S459 PolarHBondContact OD2-OG 2.96Å; P455-S459 PolarHBondContact O-N 3.05Å; P455-S459 VanDerWaalsContact O-N 3.07Å; H456-S459 PolarHBondContact O-N 2.85Å; H456-S459 PolarHBondContact O-OG 3.35Å; S459-R461 PolarHBondContact O-N 3.48Å; S459-I462 PolarHBondContact O-N 3.35Å; S459-I462 VanDerWaalsContact O-N 3.16Å; S459-I463 PolarHBondContact O-N 2.87Å
460K93Very high94.7Very high114 Ų11449.2 Ų49.250%0.49623%0.228SC..Hα-helixtrans-52.1-30.5175.1-88.4177.4153.61570113.4H456 I458H456-K460 WeakPolarHBondContact CE1-CD 3.46Å; H456-K460 WeakPolarHBondContact CE1-CE 3.17Å; H456-K460 PolarHBondContact CE1-NZ 3.07Å; H456-K460 VanDerWaalsContact CE1-NZ 3.31Å; H456-K460 WeakPolarHBondContact NE2-CD 3.34Å; H456-K460 WeakPolarHBondContact NE2-CE 3.41Å; H456-K460 PolarHBondContact NE2-NZ 3.09Å; H456-K460 PolarHBondContact O-N 3.35Å; I458-K460 VanDerWaalsContact C-N 3.26Å; I458-K460 PolarHBondContact O-N 2.92Å
461R93.4Very high94.4Very high151 Ų15155.5 Ų55.557%0.5725%0.248SC*.Hα-helixtrans-94.9-30-176.5-62.6-178.4-70.11685.1112.9Y457 I458 S459 R471Y457-R461 PolarHBondContact O-NE 3.36Å; Y457-R461 VanDerWaalsContact O-NE 3.1Å; I458-R461 WeakPolarHBondContact O-CB 3.44Å; I458-R461 PolarHBondContact O-N 3.36Å; S459-R461 PolarHBondContact O-N 3.48Å; R461-R471 WeakPolarHBondContact O-CD 3.28Å
462I94.8Very high93.7Very high31 Ų3162.5 Ų62.516%0.15928%0.278CS..Hα-helixtrans-112.6-18.9-168.671.8173.5000114.3I447 I458 S459 L470 R471I447-I462 HydrophobicContact CD1-CD1 3.69Å; I447-I462 HydrophobicContact CD1-CG1 4.5Å; I458-I462 HydrophobicContact CG2-CD1 3.64Å; I458-I462 HydrophobicContact CG2-CG1 4.18Å; I458-I462 HydrophobicContact CG2-CG2 4.5Å; I458-I462 PolarHBondContact O-N 3.33Å; S459-I462 PolarHBondContact O-N 3.35Å; S459-I462 VanDerWaalsContact O-N 3.16Å; I462-L470 HydrophobicContact CB-CD2 4.45Å; I462-L470 HydrophobicContact CD1-CD2 4.31Å; I462-L470 HydrophobicContact CG1-CD2 4.23Å; I462-L470 CarbonylContact O-C 3.42Å; I462-L470 VanDerWaalsContact O-CA 3.25Å; I462-L470 WeakPolarHBondContact O-CA 3.35Å; I462-L470 WeakPolarHBondContact O-CD2 3.46Å; I462-R471 PolarHBondContact O-N 3.23Å
463I95.9Very high91.9Very high0 Ų065.8 Ų65.80%030%0.301CS..EExtended strand (participates in β ladder)trans-106135.3178-56.7-179.9000109.8V330 W332 I447 V454 S459 W465 L470 R471V330-I463 HydrophobicContact CG2-CD1 4.43Å; W332-I463 HydrophobicContact CH2-CD1 4.33Å; W332-I463 HydrophobicContact CH2-CG2 4.27Å; I447-I463 HydrophobicContact CD1-CD1 4.15Å; I447-I463 HydrophobicContact CD1-CG1 4.5Å; V454-I463 HydrophobicContact CG1-CD1 4.14Å; S459-I463 PolarHBondContact O-N 2.87Å; I463-W465 HydrophobicContact CB-CD2 4.31Å; I463-W465 HydrophobicContact CB-CZ2 4.12Å; I463-W465 HydrophobicContact CD1-CH2 3.65Å; I463-W465 HydrophobicContact CD1-CZ2 3.8Å; I463-W465 HydrophobicContact CD1-CZ3 4.29Å; I463-W465 HydrophobicContact CG1-CZ2 4.49Å; I463-W465 HydrophobicContact CG2-CD2 3.64Å; I463-W465 HydrophobicContact CG2-CE3 3.74Å; I463-W465 HydrophobicContact CG2-CG 4.23Å; I463-W465 HydrophobicContact CG2-CH2 4.16Å; I463-W465 HydrophobicContact CG2-CZ2 4.1Å; I463-W465 HydrophobicContact CG2-CZ3 3.98Å; I463-L470 HydrophobicContact CG1-CD2 4.1Å; I463-R471 PolarHBondContact O-NE 3.42Å
464D95.6Very high89.9Confident47 Ų4774 Ų7425%0.25134%0.339SS..EExtended strand (participates in β ladder)trans-95.3104160.6174.912.2000109.1K466 T467 G468 K469 R471D464-K466 PolarHBondContact O-N 3.21Å; D464-K466 WeakPolarHBondContact OD1-CB 3.37Å; D464-K466 PolarHBondContact OD1-N 3.3Å; D464-T467 WeakPolarHBondContact CB-OG1 3.3Å; D464-T467 PolarHBondContact O-N 2.99Å; D464-T467 PolarHBondContact O-OG1 3.04Å; D464-T467 WeakPolarHBondContact OD2-CB 3.42Å; D464-T467 WeakPolarHBondContact OD2-CG2 3.15Å; D464-T467 PolarHBondContact OD2-OG1 3.29Å; D464-G468 WeakPolarHBondContact O-CA 3.47Å; D464-G468 PolarHBondContact O-N 2.94Å; D464-K469 PolarHBondContact N-O 3.47Å; D464-K469 PolarHBondContact O-N 3.44Å; D464-R471 HydrophobicContact CB-CG 4.08Å
465W95.4Very high87.1Confident23 Ų2388.4 Ų88.49%0.08739%0.393CS..THydrogen-bonded Turntrans-70.9-16.4-178.2-61.1110.4000114T216 F217 H221 L222 D328 L329 I463T216-W465 HydrophobicContact CG2-CB 4.29Å; T216-W465 HydrophobicContact CG2-CD2 4.05Å; T216-W465 HydrophobicContact CG2-CG 3.63Å; F217-W465 HydrophobicContact CB-CE3 4.41Å; F217-W465 HydrophobicContact CB-CH2 3.8Å; F217-W465 HydrophobicContact CB-CZ3 3.62Å; H221-W465 PolarHBondContact NE2-O 2.83Å; L222-W465 HydrophobicContact CD1-CE3 3.86Å; L222-W465 HydrophobicContact CD1-CZ3 4.4Å; D328-W465 HydrophobicContact CB-CH2 3.93Å; D328-W465 HydrophobicContact CB-CZ2 3.9Å; L329-W465 VanDerWaalsContact O-CH2 3.3Å; L329-W465 WeakPolarHBondContact O-CH2 3.31Å; I463-W465 HydrophobicContact CB-CD2 4.31Å; I463-W465 HydrophobicContact CB-CZ2 4.12Å; I463-W465 HydrophobicContact CD1-CH2 3.65Å; I463-W465 HydrophobicContact CD1-CZ2 3.8Å; I463-W465 HydrophobicContact CD1-CZ3 4.29Å; I463-W465 HydrophobicContact CG1-CZ2 4.49Å; I463-W465 HydrophobicContact CG2-CD2 3.64Å; I463-W465 HydrophobicContact CG2-CE3 3.74Å; I463-W465 HydrophobicContact CG2-CG 4.23Å; I463-W465 HydrophobicContact CG2-CH2 4.16Å; I463-W465 HydrophobicContact CG2-CZ2 4.1Å; I463-W465 HydrophobicContact CG2-CZ3 3.98Å
466K93.9Very high86.6Confident180 Ų18092.7 Ų92.778%0.78341%0.412SS*.THydrogen-bonded Turntrans-71.7-44.7172.9-65.8-177.1177.1-178.80110.4H221 D464H221-K466 PolarHBondContact NE2-O 3.09Å; D464-K466 PolarHBondContact O-N 3.21Å; D464-K466 WeakPolarHBondContact OD1-CB 3.37Å; D464-K466 PolarHBondContact OD1-N 3.3Å
467T92.1Very high86.2Confident81 Ų8196 Ų9650%0.49743%0.426SS..THydrogen-bonded Turntrans-92.9-17.6-178.159.30000113.8D464D464-T467 WeakPolarHBondContact CB-OG1 3.3Å; D464-T467 PolarHBondContact O-N 2.99Å; D464-T467 PolarHBondContact O-OG1 3.04Å; D464-T467 WeakPolarHBondContact OD2-CB 3.42Å; D464-T467 WeakPolarHBondContact OD2-CG2 3.15Å; D464-T467 PolarHBondContact OD2-OG1 3.29Å
468G90.3Very high85.8Confident15 Ų1593.1 Ų93.116%0.15542%0.417CS..THydrogen-bonded Turntrans68.733.1-173.900000112.9W332 D464W332-G468 WeakPolarHBondContact CZ3-O 3.38Å; D464-G468 WeakPolarHBondContact O-CA 3.47Å; D464-G468 PolarHBondContact O-N 2.94Å
469K91Very high85.2Confident143 Ų14397.4 Ų97.462%0.62244%0.436SS*.EExtended strand (participates in β ladder)trans-127.8158.6-176.6-65.3-178-178.7179.10111.8D464D464-K469 PolarHBondContact N-O 3.47Å; D464-K469 PolarHBondContact O-N 3.44Å
470L91Very high84.6Confident30 Ų30103.4 Ų103.416%0.15746%0.463CS..EExtended strand (participates in β ladder)trans-68.3136.4167.3-68.2174.3000110I447 E448 I462 I463 F472I447-L470 HydrophobicContact CD1-CD2 4.14Å; I447-L470 HydrophobicContact CG2-CD1 4.13Å; I447-L470 HydrophobicContact CG2-CD2 4.09Å; I447-L470 HydrophobicContact CG2-CG 4.32Å; E448-L470 HydrophobicContact CG-CD1 3.6Å; I462-L470 HydrophobicContact CB-CD2 4.45Å; I462-L470 HydrophobicContact CD1-CD2 4.31Å; I462-L470 HydrophobicContact CG1-CD2 4.23Å; I462-L470 CarbonylContact O-C 3.42Å; I462-L470 VanDerWaalsContact O-CA 3.25Å; I462-L470 WeakPolarHBondContact O-CA 3.35Å; I462-L470 WeakPolarHBondContact O-CD2 3.46Å; I463-L470 HydrophobicContact CG1-CD2 4.1Å; L470-F472 VanDerWaalsContact C-N 3.32Å
471R89.6Confident84Confident141 Ų141102.7 Ų102.753%0.53246%0.461SS..THydrogen-bonded Turntrans-68.9-31.8179.2-64.8-172.6-173.9-1600112.7R461 I462 I463 D464R461-R471 WeakPolarHBondContact O-CD 3.28Å; I462-R471 PolarHBondContact O-N 3.23Å; I463-R471 PolarHBondContact O-NE 3.42Å; D464-R471 HydrophobicContact CB-CG 4.08Å
472F81.2Confident83.3Confident154 Ų15499.3 Ų99.368%0.67545%0.453SS*.THydrogen-bonded Turntrans-124.873.6179.6-49.5-79.5000107.6L470 H474L470-F472 VanDerWaalsContact C-N 3.32Å; F472-H474 PolarHBondContact O-N 3.47Å
473S60.4Low82.5Confident69 Ų69104.5 Ų104.548%0.48348%0.476SS..  trans-71.3116.3165.369.90000106.9R475S473-R475 PolarHBondContact O-N 3.16Å
474H56.6Low81.4Confident172 Ų172113.3 Ų113.380%0.79652%0.515SS*.  trans-64.1106.5163.7-77.4-43.2000106.4F472F472-H474 PolarHBondContact O-N 3.47Å
475R39.1Very low80.1Confident304 Ų304119.3 Ų119.3100%1.14754%0.539SS*.  trans-74.10167.2-87-171.2-179.3-176.90.5109.7S473S473-R475 PolarHBondContact O-N 3.16Å

Retrieved 475 of 475 residues in 441.8 ms (Link to these results)

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