A0A096MNX0_PAPAN Loading...

Arylacetamide deacetylase like 4

AlphaFold DB , UniProt , Accession A0A096MNX0, Species PAPAN (Papio anubis, Olive baboon), Gene AADACL4, Length 407 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
1M57.8Low70.3Confident215 Ų215113.9 Ų113.9100%1.05962%0.617SS**  0-15.30-82.2-168.1-80.500114.9W5M1-W5 VanDerWaalsContact O-CD1 3.32Å
2A59.8Low71.5Confident74 Ų74112.3 Ų112.361%0.61261%0.607SS**Hα-helixtrans-82.1-26.2-178.500000115.4W5 L6A2-W5 PolarHBondContact O-N 3.41Å; A2-L6 PolarHBondContact O-N 2.84Å; A2-L6 VanDerWaalsContact O-N 3.07Å
3L65.8Low72.7Confident134 Ų134109.4 Ų109.470%0.70260%0.597SS**Hα-helixtrans-63.5-42.1-175.1-164.569.3000114.4W5 L6 V7L3-W5 PolarHBondContact O-N 3.47Å; L3-L6 PolarHBondContact O-N 3.03Å; L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 3.1Å
4P67.4Low73.9Confident78 Ų78110 Ų11051%0.50660%0.598SS.*Hα-helixtrans-65.4-37.3177.7-19.332.2000112.8V7 L8P4-V7 PolarHBondContact O-N 2.66Å; P4-L8 WeakPolarHBondContact O-CB 3.42Å; P4-L8 PolarHBondContact O-N 3.3Å
5W69.9Low74.8Confident177 Ų177108.9 Ų108.967%0.6759%0.585SS**Hα-helixtrans-68-39176.6-70.2113.1000112M1 A2 L3 L8 L9M1-W5 VanDerWaalsContact O-CD1 3.32Å; A2-W5 PolarHBondContact O-N 3.41Å; L3-W5 PolarHBondContact O-N 3.47Å; W5-L8 HydrophobicContact CE3-CD1 4.41Å; W5-L8 PolarHBondContact O-N 3.43Å; W5-L9 WeakPolarHBondContact O-CB 3.43Å; W5-L9 WeakPolarHBondContact O-CD1 3.35Å; W5-L9 WeakPolarHBondContact O-CG 3.37Å; W5-L9 PolarHBondContact O-N 2.76Å
6L70.8Confident75.7Confident102 Ų102105.7 Ų105.753%0.53456%0.564SS.*Hα-helixtrans-65.1-40175.7-146.489.7000111.8A2 L3 L9 L10A2-L6 PolarHBondContact O-N 2.84Å; A2-L6 VanDerWaalsContact O-N 3.07Å; L3-L6 PolarHBondContact O-N 3.03Å; L6-L9 PolarHBondContact O-N 2.75Å; L6-L10 WeakPolarHBondContact O-CG 3.38Å; L6-L10 PolarHBondContact O-N 3.37Å; L6-L10 VanDerWaalsContact O-N 3.13Å
7V73.4Confident76.5Confident89 Ų89105.9 Ų105.954%0.53957%0.565SS.*Hα-helixtrans-65.5-43.4175.3172.40000111L3 P4 L10 A11L3-V7 WeakPolarHBondContact O-CG2 3.41Å; L3-V7 PolarHBondContact O-N 3.1Å; P4-V7 PolarHBondContact O-N 2.66Å; V7-L10 PolarHBondContact O-N 3.43Å; V7-A11 WeakPolarHBondContact O-CB 3.18Å; V7-A11 PolarHBondContact O-N 2.99Å
8L70.4Confident77.2Confident102 Ų102102.2 Ų102.253%0.53456%0.556SS.*Hα-helixtrans-62.7-42.4174.3-87.4156.3000112.5P4 W5 L10 L12P4-L8 WeakPolarHBondContact O-CB 3.42Å; P4-L8 PolarHBondContact O-N 3.3Å; W5-L8 HydrophobicContact CE3-CD1 4.41Å; W5-L8 PolarHBondContact O-N 3.43Å; L8-L10 VanDerWaalsContact C-N 3.25Å; L8-L10 PolarHBondContact O-N 2.95Å; L8-L12 VanDerWaalsContact O-CB 3.25Å; L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 2.71Å; L8-L12 VanDerWaalsContact O-N 3.09Å
9L77.1Confident77.8Confident123 Ų12397.5 Ų97.564%0.64453%0.531SS*.Hα-helixtrans-63.7-28.4178.3-77.7167.2000113.1W5 L6 P13W5-L9 WeakPolarHBondContact O-CB 3.43Å; W5-L9 WeakPolarHBondContact O-CD1 3.35Å; W5-L9 WeakPolarHBondContact O-CG 3.37Å; W5-L9 PolarHBondContact O-N 2.76Å; L6-L9 PolarHBondContact O-N 2.75Å; L9-P13 WeakPolarHBondContact O-CD 3.46Å; L9-P13 VanDerWaalsContact O-CG 3.28Å; L9-P13 WeakPolarHBondContact O-CG 3.35Å
10L78.4Confident78.3Confident109 Ų10996.3 Ų96.357%0.57152%0.52SS*.Hα-helixtrans-92.8-38.2177-68.5172.5000112.8L6 V7 L8 P13 I14L6-L10 WeakPolarHBondContact O-CG 3.38Å; L6-L10 PolarHBondContact O-N 3.37Å; L6-L10 VanDerWaalsContact O-N 3.13Å; V7-L10 PolarHBondContact O-N 3.43Å; L8-L10 VanDerWaalsContact C-N 3.25Å; L8-L10 PolarHBondContact O-N 2.95Å; L10-P13 WeakPolarHBondContact O-CD 3.45Å; L10-I14 VanDerWaalsContact O-CD1 3.31Å; L10-I14 WeakPolarHBondContact O-CD1 3.4Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.28Å; L10-I14 PolarHBondContact O-N 3.14Å
11A82.6Confident78.8Confident50 Ų5094.7 Ų94.741%0.41351%0.514SS..Hα-helixtrans-68.2-36.5-178.600000112.1V7 I14 F15V7-A11 WeakPolarHBondContact O-CB 3.18Å; V7-A11 PolarHBondContact O-N 2.99Å; A11-I14 PolarHBondContact O-N 3.47Å; A11-F15 WeakPolarHBondContact O-CB 3.31Å; A11-F15 PolarHBondContact O-N 3.25Å
12L85.2Confident80.1Confident95 Ų9591.5 Ų91.550%0.49749%0.49SS..Hα-helixtrans-67.2-48.5-175.7-173.471.3000112.6L8 I14 F15 F16L8-L12 VanDerWaalsContact O-CB 3.25Å; L8-L12 WeakPolarHBondContact O-CB 3.3Å; L8-L12 PolarHBondContact O-N 2.71Å; L8-L12 VanDerWaalsContact O-N 3.09Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 2.78Å; L12-F15 WeakPolarHBondContact O-CB 3.42Å; L12-F15 PolarHBondContact O-N 3.36Å; L12-F16 HydrophobicContact CD1-CD2 4.09Å; L12-F16 HydrophobicContact CD1-CE2 3.47Å; L12-F16 VanDerWaalsContact CD1-CE2 3.47Å; L12-F16 HydrophobicContact CD1-CZ 4.18Å; L12-F16 HydrophobicContact CD2-CE2 4.05Å; L12-F16 HydrophobicContact CG-CD2 3.89Å; L12-F16 HydrophobicContact CG-CE2 3.49Å; L12-F16 VanDerWaalsContact CG-CE2 3.49Å; L12-F16 WeakPolarHBondContact O-CD2 3.31Å; L12-F16 PolarHBondContact O-N 3.16Å
13P86.4Confident81.2Confident74 Ų7488 Ų8848%0.48146%0.461SS..Hα-helixtrans-60.3-39.1172.5-24.734.5000113.7L9 L10 F15 F16 L17L9-P13 WeakPolarHBondContact O-CD 3.46Å; L9-P13 VanDerWaalsContact O-CG 3.28Å; L9-P13 WeakPolarHBondContact O-CG 3.35Å; L10-P13 WeakPolarHBondContact O-CD 3.45Å; P13-F15 VanDerWaalsContact C-N 3.34Å; P13-F16 PolarHBondContact O-N 3.13Å; P13-L17 WeakPolarHBondContact O-CB 3.29Å; P13-L17 PolarHBondContact O-N 3.3Å
14I89.3Confident81.9Confident118 Ų11882.9 Ų82.961%0.60544%0.435SS*.Hα-helixtrans-63.8-42.4177.6-67168.8000110.4L10 A11 L12 L17 G18L10-I14 VanDerWaalsContact O-CD1 3.31Å; L10-I14 WeakPolarHBondContact O-CD1 3.4Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.28Å; L10-I14 PolarHBondContact O-N 3.14Å; A11-I14 PolarHBondContact O-N 3.47Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 2.78Å; I14-L17 PolarHBondContact O-N 3.05Å; I14-G18 PolarHBondContact O-N 3.35Å
15F87.9Confident82.7Confident94 Ų9486.3 Ų86.341%0.41244%0.443SS..Hα-helixtrans-59.8-51.3175.5175-98.7000111.6A11 L12 P13 L17 G18 V19 I59A11-F15 WeakPolarHBondContact O-CB 3.31Å; A11-F15 PolarHBondContact O-N 3.25Å; L12-F15 WeakPolarHBondContact O-CB 3.42Å; L12-F15 PolarHBondContact O-N 3.36Å; P13-F15 VanDerWaalsContact C-N 3.34Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 3.09Å; F15-G18 PolarHBondContact O-N 3.39Å; F15-V19 HydrophobicContact CD1-CG2 4.22Å; F15-V19 HydrophobicContact CD2-CG2 4.39Å; F15-V19 HydrophobicContact CE1-CG2 3.85Å; F15-V19 HydrophobicContact CE2-CG2 4.04Å; F15-V19 HydrophobicContact CG-CG2 4.48Å; F15-V19 HydrophobicContact CZ-CG2 3.76Å; F15-V19 WeakPolarHBondContact O-CG2 3.5Å; F15-V19 PolarHBondContact O-N 3.35Å; F15-I59 HydrophobicContact CZ-CD1 4.37Å; F15-I59 HydrophobicContact CZ-CG2 4.09Å
16F89.8Confident82.9Confident57 Ų5782.9 Ų82.925%0.2543%0.434CS..Hα-helixtrans-61.2-40.6178.5-76.5-64.7000112.5L12 P13 V19 F20 Y52 L56 F60L12-F16 HydrophobicContact CD1-CD2 4.09Å; L12-F16 HydrophobicContact CD1-CE2 3.47Å; L12-F16 VanDerWaalsContact CD1-CE2 3.47Å; L12-F16 HydrophobicContact CD1-CZ 4.18Å; L12-F16 HydrophobicContact CD2-CE2 4.05Å; L12-F16 HydrophobicContact CG-CD2 3.89Å; L12-F16 HydrophobicContact CG-CE2 3.49Å; L12-F16 VanDerWaalsContact CG-CE2 3.49Å; L12-F16 WeakPolarHBondContact O-CD2 3.31Å; L12-F16 PolarHBondContact O-N 3.16Å; P13-F16 PolarHBondContact O-N 3.13Å; F16-V19 PolarHBondContact O-N 3.21Å; F16-F20 WeakPolarHBondContact O-CB 3.37Å; F16-F20 PolarHBondContact O-N 3.43Å; F16-Y52 VanDerWaalsContact CD1-OH 3.31Å; F16-Y52 WeakPolarHBondContact CD1-OH 3.47Å; F16-L56 HydrophobicContact CD1-CD1 4Å; F16-L56 HydrophobicContact CD1-CD2 4.17Å; F16-L56 HydrophobicContact CE1-CD1 3.55Å; F16-L56 HydrophobicContact CE1-CD2 3.76Å; F16-L56 HydrophobicContact CE1-CG 4.3Å; F16-F60 HydrophobicContact CE1-CZ 4.3Å; F16-F60 HydrophobicContact CZ-CZ 4.44Å
17L88.8Confident83Confident109 Ų10980.2 Ų80.257%0.57142%0.419SS*.Hα-helixtrans-64.9-43174.7-178.662.1000111.6P13 I14 F15 V19 F20 V21P13-L17 WeakPolarHBondContact O-CB 3.29Å; P13-L17 PolarHBondContact O-N 3.3Å; I14-L17 PolarHBondContact O-N 3.05Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 3.09Å; L17-V19 PolarHBondContact O-N 2.66Å; L17-F20 WeakPolarHBondContact O-CB 3.34Å; L17-F20 PolarHBondContact O-N 2.57Å; L17-V21 HydrophobicContact CD1-CG2 4.32Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.92Å
18G89.1Confident83.1Confident40 Ų4081.7 Ų81.741%0.41242%0.418SS..Hα-helixtrans-60.3-43.7176.100000112.2I14 F15 V21 W22I14-G18 PolarHBondContact O-N 3.35Å; F15-G18 PolarHBondContact O-N 3.39Å; G18-V21 PolarHBondContact O-N 3.26Å; G18-W22 VanDerWaalsContact O-CB 3.29Å; G18-W22 WeakPolarHBondContact O-CB 3.08Å; G18-W22 PolarHBondContact O-N 3.36Å
19V88.2Confident83.3Confident12 Ų1284 Ų847%0.07343%0.43CS..Hα-helixtrans-62.3-43.4174.7175.30000111.1F15 F16 L17 W22 A23 Y52 T55 I59F15-V19 HydrophobicContact CD1-CG2 4.22Å; F15-V19 HydrophobicContact CD2-CG2 4.39Å; F15-V19 HydrophobicContact CE1-CG2 3.85Å; F15-V19 HydrophobicContact CE2-CG2 4.04Å; F15-V19 HydrophobicContact CG-CG2 4.48Å; F15-V19 HydrophobicContact CZ-CG2 3.76Å; F15-V19 WeakPolarHBondContact O-CG2 3.5Å; F15-V19 PolarHBondContact O-N 3.35Å; F16-V19 PolarHBondContact O-N 3.21Å; L17-V19 PolarHBondContact O-N 2.66Å; V19-W22 PolarHBondContact O-N 2.78Å; V19-A23 VanDerWaalsContact O-CB 3.27Å; V19-A23 WeakPolarHBondContact O-CB 3.36Å; V19-A23 PolarHBondContact O-N 3.13Å; V19-Y52 HydrophobicContact CB-CE2 4.25Å; V19-Y52 HydrophobicContact CG1-CD2 4.15Å; V19-Y52 HydrophobicContact CG1-CE2 3.98Å; V19-T55 HydrophobicContact CG1-CG2 3.68Å; V19-I59 HydrophobicContact CG1-CD1 3.79Å; V19-I59 HydrophobicContact CG2-CD1 3.87Å
20F88.1Confident83.4Confident73 Ų7381.7 Ų81.732%0.3242%0.421SS..Hα-helixtrans-60.2-51.6176.3178.5-99000111.6F16 L17 W22 A23 V24 Y52F16-F20 WeakPolarHBondContact O-CB 3.37Å; F16-F20 PolarHBondContact O-N 3.43Å; L17-F20 WeakPolarHBondContact O-CB 3.34Å; L17-F20 PolarHBondContact O-N 2.57Å; F20-W22 PolarHBondContact O-N 3.05Å; F20-A23 PolarHBondContact O-N 2.81Å; F20-V24 HydrophobicContact CD1-CG2 4.44Å; F20-V24 HydrophobicContact CD2-CG2 4.34Å; F20-V24 HydrophobicContact CE1-CG2 4.09Å; F20-V24 HydrophobicContact CE2-CG2 3.98Å; F20-V24 HydrophobicContact CZ-CG2 3.85Å; F20-V24 WeakPolarHBondContact O-CB 3.33Å; F20-V24 VanDerWaalsContact O-CG2 3.26Å; F20-V24 WeakPolarHBondContact O-CG2 3.49Å; F20-V24 PolarHBondContact O-N 2.74Å; F20-Y52 VanDerWaalsContact CA-CD2 3.48Å; F20-Y52 HydrophobicContact CB-CD2 3.71Å; F20-Y52 HydrophobicContact CB-CE2 3.74Å; F20-Y52 HydrophobicContact CB-CG 4.41Å; F20-Y52 HydrophobicContact CD2-CD1 4.21Å; F20-Y52 AromaticContact CD2-CD2 3.87Å; F20-Y52 HydrophobicContact CD2-CD2 3.87Å; F20-Y52 HydrophobicContact CD2-CE2 4.47Å; F20-Y52 AromaticContact CD2-CG 3.71Å; F20-Y52 HydrophobicContact CD2-CG 3.71Å; F20-Y52 HydrophobicContact CG-CD2 4.3Å
21V88.1Confident83.7Confident63 Ų6377.2 Ų77.238%0.38240%0.399SS..Hα-helixtrans-59.5-47.5179.1172.50000110.4L17 G18 V24 F25L17-V21 HydrophobicContact CD1-CG2 4.32Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 2.92Å; G18-V21 PolarHBondContact O-N 3.26Å; V21-V24 PolarHBondContact O-N 3.48Å; V21-F25 HydrophobicContact CG1-CD2 3.62Å; V21-F25 HydrophobicContact CG1-CE2 3.81Å; V21-F25 WeakPolarHBondContact O-CB 3.42Å; V21-F25 WeakPolarHBondContact O-CD2 3.2Å; V21-F25 PolarHBondContact O-N 3.06Å
22W86.3Confident83.9Confident149 Ų14978.7 Ų78.756%0.56440%0.399SS*.Hα-helixtrans-59.9-50.2178.9176.775.1000112.6G18 V19 F20 V24 F25 E26 T55G18-W22 VanDerWaalsContact O-CB 3.29Å; G18-W22 WeakPolarHBondContact O-CB 3.08Å; G18-W22 PolarHBondContact O-N 3.36Å; V19-W22 PolarHBondContact O-N 2.78Å; F20-W22 PolarHBondContact O-N 3.05Å; W22-V24 VanDerWaalsContact C-N 3.31Å; W22-V24 PolarHBondContact O-N 3.19Å; W22-F25 PolarHBondContact O-N 2.87Å; W22-E26 PolarHBondContact O-N 3.17Å; W22-T55 HydrophobicContact CE3-CG2 4.04Å; W22-T55 HydrophobicContact CZ3-CG2 3.64Å
23A82.3Confident83.9Confident0 Ų075.3 Ų75.30%038%0.382CS..Hα-helixtrans-60.7-41.3179.900000111.8V19 F20 H27 T55V19-A23 VanDerWaalsContact O-CB 3.27Å; V19-A23 WeakPolarHBondContact O-CB 3.36Å; V19-A23 PolarHBondContact O-N 3.13Å; F20-A23 PolarHBondContact O-N 2.81Å; A23-H27 PolarHBondContact O-N 3.49Å; A23-H27 PolarHBondContact O-ND1 3.48Å; A23-T55 HydrophobicContact CB-CG2 4.37Å
24V80.5Confident83.8Confident27 Ų2772.7 Ų72.716%0.16437%0.365CS..Hα-helixtrans-65.1-48.6176.2171.90000110.8F20 V21 W22 E26 H27 F28 C48F20-V24 HydrophobicContact CD1-CG2 4.44Å; F20-V24 HydrophobicContact CD2-CG2 4.34Å; F20-V24 HydrophobicContact CE1-CG2 4.09Å; F20-V24 HydrophobicContact CE2-CG2 3.98Å; F20-V24 HydrophobicContact CZ-CG2 3.85Å; F20-V24 WeakPolarHBondContact O-CB 3.33Å; F20-V24 VanDerWaalsContact O-CG2 3.26Å; F20-V24 WeakPolarHBondContact O-CG2 3.49Å; F20-V24 PolarHBondContact O-N 2.74Å; V21-V24 PolarHBondContact O-N 3.48Å; W22-V24 VanDerWaalsContact C-N 3.31Å; W22-V24 PolarHBondContact O-N 3.19Å; V24-E26 PolarHBondContact O-N 2.83Å; V24-H27 PolarHBondContact O-N 2.97Å; V24-F28 WeakPolarHBondContact O-CA 3.37Å; V24-F28 WeakPolarHBondContact O-CB 3.39Å; V24-F28 PolarHBondContact O-N 2.89Å; V24-C48 HydrophobicContact CG2-CB 3.76Å
25F84.1Confident83.3Confident150 Ų15072.1 Ų72.166%0.65838%0.379SS*.Hα-helixtrans-62.4-43.2-178.1-96.8-81.7000113.1V21 W22 H27V21-F25 HydrophobicContact CG1-CD2 3.62Å; V21-F25 HydrophobicContact CG1-CE2 3.81Å; V21-F25 WeakPolarHBondContact O-CB 3.42Å; V21-F25 WeakPolarHBondContact O-CD2 3.2Å; V21-F25 PolarHBondContact O-N 3.06Å; W22-F25 PolarHBondContact O-N 2.87Å; F25-H27 PolarHBondContact O-N 3.31Å
26E75.4Confident83Confident104 Ų10470.8 Ų70.849%0.48638%0.378SS..Hα-helixtrans-58.6-39.7178.7-168.6-158178.200111.5W22 V24W22-E26 PolarHBondContact O-N 3.17Å; V24-E26 PolarHBondContact O-N 2.83Å
27H71.3Confident82.7Confident46 Ų4668.7 Ų68.721%0.21337%0.369CS..Hα-helixtrans-97-18.5-173-67.675.3000113.9A23 V24 F25 L29 T30 T31 L51A23-H27 PolarHBondContact O-N 3.49Å; A23-H27 PolarHBondContact O-ND1 3.48Å; V24-H27 PolarHBondContact O-N 2.97Å; F25-H27 PolarHBondContact O-N 3.31Å; H27-L29 PolarHBondContact O-N 3.38Å; H27-T30 WeakPolarHBondContact CA-OG1 3.2Å; H27-T30 PolarHBondContact O-N 3.11Å; H27-T30 VanDerWaalsContact O-N 3.16Å; H27-T30 PolarHBondContact O-OG1 2.98Å; H27-T31 WeakPolarHBondContact O-CB 3.34Å; H27-T31 PolarHBondContact O-N 3.45Å; H27-T31 PolarHBondContact O-OG1 2.63Å; H27-L51 HydrophobicContact CB-CD1 3.22Å; H27-L51 HydrophobicContact CB-CG 4.49Å; H27-L51 WeakPolarHBondContact CD2-CD2 3.37Å
28F75.6Confident82.4Confident120 Ų12069.1 Ų69.153%0.52637%0.369SS..Hα-helixtrans-59.1-36-179.3-172.8-92.7000111.8V24V24-F28 WeakPolarHBondContact O-CA 3.37Å; V24-F28 WeakPolarHBondContact O-CB 3.39Å; V24-F28 PolarHBondContact O-N 2.89Å
29L74.9Confident82.4Confident152 Ų15270.6 Ų70.680%0.79637%0.365SS*.THydrogen-bonded Turntrans-83.8-17-178.9-62178.4000114H27H27-L29 PolarHBondContact O-N 3.38Å
30T79.6Confident82.5Confident74 Ų7472.8 Ų72.845%0.45438%0.379SS..THydrogen-bonded Turntrans-107.5-14.9-175.556.60000113.2H27 N240H27-T30 WeakPolarHBondContact CA-OG1 3.2Å; H27-T30 PolarHBondContact O-N 3.11Å; H27-T30 VanDerWaalsContact O-N 3.16Å; H27-T30 PolarHBondContact O-OG1 2.98Å; T30-N240 WeakPolarHBondContact O-CB 3.48Å
31T84.8Confident82.5Confident15 Ų1573 Ų739%0.09239%0.394CS..  trans-79.3120.5-178.7-57.30000112H27 V33 H47 P242H27-T31 WeakPolarHBondContact O-CB 3.34Å; H27-T31 PolarHBondContact O-N 3.45Å; H27-T31 PolarHBondContact O-OG1 2.63Å; T31-V33 HydrophobicContact CG2-CG2 3.89Å; T31-H47 PolarHBondContact OG1-CD2 2.94Å; T31-P242 HydrophobicContact CG2-CG 3.64Å
32D86.8Confident82.7Confident81 Ų8172.6 Ų72.643%0.43339%0.387SS..  trans-91.7104.3175-66.2-41.1000109.3P34 N240 V241 P242D32-P34 VanDerWaalsContact O-CD 3.29Å; D32-P34 WeakPolarHBondContact O-CD 3.31Å; D32-N240 HydrophobicContact CB-CB 4.29Å; D32-N240 PolarHBondContact N-O 2.77Å; D32-N240 VanDerWaalsContact N-O 3.09Å; D32-N240 WeakPolarHBondContact OD2-CB 3.48Å; D32-N240 PolarHBondContact OD2-ND2 3.34Å; D32-V241 WeakPolarHBondContact O-CA 3.18Å; D32-P242 VanDerWaalsContact O-CD 3.3Å; D32-P242 WeakPolarHBondContact O-CD 3.37Å
33V85.8Confident83Confident23 Ų2365.5 Ų65.514%0.13936%0.36CS..  trans-95110173.4179.10000109.4T31 L37 P40 L43 R44 P242T31-V33 HydrophobicContact CG2-CG2 3.89Å; V33-L37 HydrophobicContact CG1-CD1 4.1Å; V33-P40 HydrophobicContact CG1-CB 3.56Å; V33-L43 HydrophobicContact CG1-CD2 4.43Å; V33-R44 HydrophobicContact CB-CG 4.32Å; V33-R44 HydrophobicContact CG2-CG 3.42Å; V33-R44 VanDerWaalsContact CG2-CG 3.42Å; V33-P242 HydrophobicContact CG2-CG 3.96Å
34P82.9Confident83.3Confident19 Ų1969.7 Ų69.712%0.12338%0.376CS..  trans-64141.8-173.1-26.538.1000113.1D32 T36 L37 V241 N346D32-P34 VanDerWaalsContact O-CD 3.29Å; D32-P34 WeakPolarHBondContact O-CD 3.31Å; P34-T36 PolarHBondContact O-N 2.59Å; P34-L37 HydrophobicContact CB-CG 4.39Å; P34-L37 HydrophobicContact CG-CD1 4.47Å; P34-L37 PolarHBondContact O-N 3.5Å; P34-V241 HydrophobicContact CG-CG1 4.28Å; P34-V241 HydrophobicContact CG-CG2 3.85Å; P34-N346 HydrophobicContact CB-CB 4.41Å; P34-N346 WeakPolarHBondContact CB-OD1 3.42Å; P34-N346 HydrophobicContact CG-CB 3.86Å; P34-N346 WeakPolarHBondContact CG-OD1 3.24Å
35A80.1Confident83.8Confident107 Ų10774.3 Ų74.388%0.88439%0.394SS*.THydrogen-bonded Turntrans-66.6-18.8178.300000113.6L37A35-L37 PolarHBondContact O-N 3.28Å
36T80.8Confident84.2Confident66 Ų6667.9 Ų67.941%0.40537%0.367SS..THydrogen-bonded Turntrans-70.3-14.3177480000113.2P34 N346P34-T36 PolarHBondContact O-N 2.59Å; T36-N346 PolarHBondContact OG1-ND2 3.2Å; T36-N346 PolarHBondContact OG1-OD1 3.09Å
37L83.5Confident84.9Confident12 Ų1263.7 Ų63.76%0.06335%0.347CS..  trans-81.4132-178.9-63.6175.2000112V33 P34 A35 H39 P40 L43 D374 F376V33-L37 HydrophobicContact CG1-CD1 4.1Å; P34-L37 HydrophobicContact CB-CG 4.39Å; P34-L37 HydrophobicContact CG-CD1 4.47Å; P34-L37 PolarHBondContact O-N 3.5Å; A35-L37 PolarHBondContact O-N 3.28Å; L37-H39 VanDerWaalsContact C-N 3.31Å; L37-H39 PolarHBondContact O-N 2.91Å; L37-P40 WeakPolarHBondContact O-CD 3.46Å; L37-L43 HydrophobicContact CD1-CD2 3.16Å; L37-L43 HydrophobicContact CD1-CG 4.45Å; L37-D374 VanDerWaalsContact CD2-O 3.26Å; L37-D374 WeakPolarHBondContact CD2-O 3.33Å; L37-F376 HydrophobicContact CD2-CD1 3.85Å
38Q82.1Confident85.9Confident118 Ų11862.7 Ų62.755%0.55135%0.345SS*.SBendtrans-69.3-25.5179.2-63.5-172.3-21.500113.9
39H88.3Confident86.6Confident72 Ų7259.8 Ų59.833%0.33333%0.334SS..  trans-130.463.3-174.9-58.6-52.9000112.6L37 A41 K42 L43 F390L37-H39 VanDerWaalsContact C-N 3.31Å; L37-H39 PolarHBondContact O-N 2.91Å; H39-A41 PolarHBondContact O-N 2.71Å; H39-K42 HydrophobicContact CB-CB 3.99Å; H39-K42 PolarHBondContact O-N 3.26Å; H39-L43 PolarHBondContact O-N 2.94Å; H39-L43 VanDerWaalsContact O-N 3.1Å; H39-F390 HydrophobicContact CB-CD1 4.34Å; H39-F390 HydrophobicContact CB-CE1 4.04Å
40P90.3Very high87.4Confident58 Ų5854.3 Ų54.338%0.37730%0.304SS..Hα-helixtrans-65-38.4-171.925.9-34000112.8V33 L37 K42 L43 R44V33-P40 HydrophobicContact CG1-CB 3.56Å; L37-P40 WeakPolarHBondContact O-CD 3.46Å; P40-K42 VanDerWaalsContact C-N 3.35Å; P40-K42 PolarHBondContact O-N 2.98Å; P40-L43 PolarHBondContact O-N 3.35Å; P40-R44 WeakPolarHBondContact O-CG 3.48Å; P40-R44 PolarHBondContact O-N 3.34Å
41A89.6Confident88Confident76 Ų7651.5 Ų51.563%0.62829%0.286SS*.Hα-helixtrans-63.7-39.217700000112.4H39 R44 F45H39-A41 PolarHBondContact O-N 2.71Å; A41-R44 PolarHBondContact O-N 2.92Å; A41-F45 WeakPolarHBondContact O-CB 3.48Å; A41-F45 PolarHBondContact O-N 2.73Å
42K91.9Very high88.3Confident55 Ų5552.9 Ų52.924%0.23929%0.29CS..Hα-helixtrans-64.6-44.1175.9-171.8-172.6-57.5-164.30111H39 P40 F45 L46 A387 F389 F390H39-K42 HydrophobicContact CB-CB 3.99Å; H39-K42 PolarHBondContact O-N 3.26Å; P40-K42 VanDerWaalsContact C-N 3.35Å; P40-K42 PolarHBondContact O-N 2.98Å; K42-F45 PolarHBondContact O-N 3.11Å; K42-L46 HydrophobicContact CG-CD1 4.39Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 3.45Å; K42-A387 WeakPolarHBondContact CE-O 3.33Å; K42-A387 PolarHBondContact NZ-O 3.47Å; K42-F389 PolarHBondContact NZ-O 2.93Å; K42-F390 HydrophobicContact CB-CE1 4.42Å; K42-F390 HydrophobicContact CB-CZ 4.21Å; K42-F390 HydrophobicContact CD-CE1 4.12Å; K42-F390 HydrophobicContact CD-CE2 3.99Å; K42-F390 HydrophobicContact CD-CZ 3.72Å; K42-F390 HydrophobicContact CG-CE1 4.45Å; K42-F390 HydrophobicContact CG-CE2 4.42Å; K42-F390 HydrophobicContact CG-CZ 3.87Å
43L91.8Very high88.7Confident0 Ų051.5 Ų51.50%028%0.282CS..Hα-helixtrans-62.3-44.6176.7-174.365.6000111.2V33 L37 H39 P40 F45 L46 H47 P242 F243 F376 F390V33-L43 HydrophobicContact CG1-CD2 4.43Å; L37-L43 HydrophobicContact CD1-CD2 3.16Å; L37-L43 HydrophobicContact CD1-CG 4.45Å; H39-L43 PolarHBondContact O-N 2.94Å; H39-L43 VanDerWaalsContact O-N 3.1Å; P40-L43 PolarHBondContact O-N 3.35Å; L43-F45 PolarHBondContact O-N 3.29Å; L43-L46 PolarHBondContact O-N 2.92Å; L43-H47 WeakPolarHBondContact O-CB 3.49Å; L43-H47 PolarHBondContact O-N 3.04Å; L43-P242 HydrophobicContact CD1-CB 4.09Å; L43-P242 HydrophobicContact CD2-CB 3.95Å; L43-P242 HydrophobicContact CD2-CG 3.75Å; L43-P242 HydrophobicContact CG-CB 3.89Å; L43-P242 HydrophobicContact CG-CG 3.9Å; L43-F243 HydrophobicContact CD1-CD2 3.95Å; L43-F243 HydrophobicContact CD1-CE2 3.22Å; L43-F243 HydrophobicContact CD1-CZ 3.89Å; L43-F376 HydrophobicContact CD1-CD2 4.14Å; L43-F376 HydrophobicContact CD1-CE1 4.24Å; L43-F376 HydrophobicContact CD1-CE2 3.85Å; L43-F376 HydrophobicContact CD1-CG 4.49Å; L43-F376 HydrophobicContact CD1-CZ 3.88Å; L43-F390 HydrophobicContact CB-CE1 4.29Å; L43-F390 HydrophobicContact CB-CZ 4.24Å; L43-F390 HydrophobicContact CD1-CZ 4.29Å
44R90.1Very high89Confident89 Ų8951.3 Ų51.334%0.33628%0.28SS..Hα-helixtrans-56.8-49.1174.4-74.1-172.7-174.3-94.4-0.4111.7V33 P40 A41 L46 H47 C48V33-R44 HydrophobicContact CB-CG 4.32Å; V33-R44 HydrophobicContact CG2-CG 3.42Å; V33-R44 VanDerWaalsContact CG2-CG 3.42Å; P40-R44 WeakPolarHBondContact O-CG 3.48Å; P40-R44 PolarHBondContact O-N 3.34Å; A41-R44 PolarHBondContact O-N 2.92Å; R44-L46 VanDerWaalsContact C-N 3.35Å; R44-L46 PolarHBondContact O-N 3.48Å; R44-H47 PolarHBondContact O-N 3.27Å; R44-H47 VanDerWaalsContact O-N 3.17Å; R44-C48 PolarHBondContact O-N 3.29Å; R44-C48 PolarHBondContact O-SG 2.93Å
45F90.1Very high89.4Confident123 Ų12351.1 Ų51.154%0.53928%0.279SS..Hα-helixtrans-57.3-47179174.3-102000112.3A41 K42 L43 H47 C48 I49A41-F45 WeakPolarHBondContact O-CB 3.48Å; A41-F45 PolarHBondContact O-N 2.73Å; K42-F45 PolarHBondContact O-N 3.11Å; L43-F45 PolarHBondContact O-N 3.29Å; F45-H47 VanDerWaalsContact C-N 3.34Å; F45-H47 PolarHBondContact O-N 2.98Å; F45-C48 WeakPolarHBondContact O-CB 3.44Å; F45-C48 PolarHBondContact O-N 3.23Å; F45-I49 HydrophobicContact CD1-CD1 3.93Å; F45-I49 HydrophobicContact CE1-CD1 3.36Å; F45-I49 HydrophobicContact CE2-CD1 4.26Å; F45-I49 HydrophobicContact CZ-CD1 3.56Å; F45-I49 HydrophobicContact CZ-CG1 4.45Å; F45-I49 PolarHBondContact O-N 2.96Å; F45-I49 VanDerWaalsContact O-N 3.14Å
46L91.9Very high90.1Very high15 Ų1546.5 Ų46.58%0.07924%0.239CC..Hα-helixtrans-66.1-36.7177.2-72.8171.9000112.7K42 L43 R44 I49 F50 F243 F382 L388 F390K42-L46 HydrophobicContact CG-CD1 4.39Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 3.45Å; L43-L46 PolarHBondContact O-N 2.92Å; R44-L46 VanDerWaalsContact C-N 3.35Å; R44-L46 PolarHBondContact O-N 3.48Å; L46-I49 PolarHBondContact O-N 3.42Å; L46-F50 WeakPolarHBondContact O-CB 3.42Å; L46-F50 PolarHBondContact O-N 3.39Å; L46-F243 HydrophobicContact CB-CE1 4.2Å; L46-F243 HydrophobicContact CB-CZ 3.7Å; L46-F382 HydrophobicContact CD1-CD1 4.19Å; L46-F382 HydrophobicContact CD1-CE1 3.67Å; L46-F382 HydrophobicContact CD1-CZ 4.1Å; L46-F382 HydrophobicContact CD2-CE1 4.39Å; L46-L388 HydrophobicContact CD1-CB 4.47Å; L46-L388 HydrophobicContact CD2-CD1 3.94Å; L46-L388 HydrophobicContact CD2-CD2 3.8Å; L46-L388 HydrophobicContact CD2-CG 4.31Å; L46-L388 HydrophobicContact CG-CD2 4.43Å; L46-F390 HydrophobicContact CD1-CE2 3.55Å; L46-F390 HydrophobicContact CD1-CZ 3.89Å
47H91.8Very high90.7Very high17 Ų1743.3 Ų43.38%0.07922%0.22CC..Hα-helixtrans-65-41.3175.7-167.647.8000111.8T31 L43 R44 F45 I49 F50 L51 P242 F243T31-H47 PolarHBondContact OG1-CD2 2.94Å; L43-H47 WeakPolarHBondContact O-CB 3.49Å; L43-H47 PolarHBondContact O-N 3.04Å; R44-H47 PolarHBondContact O-N 3.27Å; R44-H47 VanDerWaalsContact O-N 3.17Å; F45-H47 VanDerWaalsContact C-N 3.34Å; F45-H47 PolarHBondContact O-N 2.98Å; H47-I49 VanDerWaalsContact C-N 3.31Å; H47-I49 PolarHBondContact O-N 3.35Å; H47-F50 AromaticContact ND1-CD1 3.99Å; H47-F50 WeakPolarHBondContact O-CB 3.15Å; H47-F50 PolarHBondContact O-N 3.29Å; H47-F50 VanDerWaalsContact O-N 3.15Å; H47-L51 WeakPolarHBondContact NE2-CD1 3.41Å; H47-L51 VanDerWaalsContact O-CG 3.29Å; H47-L51 WeakPolarHBondContact O-CG 3.23Å; H47-L51 PolarHBondContact O-N 3.24Å; H47-P242 HydrophobicContact CB-CB 3.92Å; H47-P242 HydrophobicContact CB-CG 4.26Å; H47-F243 PolarHBondContact ND1-N 2.93Å
48C91.1Very high91.2Very high24 Ų2445.9 Ų45.916%0.16223%0.233CC..Hα-helixtrans-58.4-42.8173.3-69.80000112V24 R44 F45 Y52V24-C48 HydrophobicContact CG2-CB 3.76Å; R44-C48 PolarHBondContact O-N 3.29Å; R44-C48 PolarHBondContact O-SG 2.93Å; F45-C48 WeakPolarHBondContact O-CB 3.44Å; F45-C48 PolarHBondContact O-N 3.23Å; C48-Y52 VanDerWaalsContact O-CB 3.31Å; C48-Y52 WeakPolarHBondContact O-CB 3.32Å; C48-Y52 PolarHBondContact O-N 3.01Å
49I91.3Very high91.8Very high60 Ų6042 Ų4231%0.30822%0.216SC..Hα-helixtrans-62.2-47.3174.3-67.6166.7000110.4F45 L46 H47 L51 Y52 L53F45-I49 HydrophobicContact CD1-CD1 3.93Å; F45-I49 HydrophobicContact CE1-CD1 3.36Å; F45-I49 HydrophobicContact CE2-CD1 4.26Å; F45-I49 HydrophobicContact CZ-CD1 3.56Å; F45-I49 HydrophobicContact CZ-CG1 4.45Å; F45-I49 PolarHBondContact O-N 2.96Å; F45-I49 VanDerWaalsContact O-N 3.14Å; L46-I49 PolarHBondContact O-N 3.42Å; H47-I49 VanDerWaalsContact C-N 3.31Å; H47-I49 PolarHBondContact O-N 3.35Å; I49-L51 PolarHBondContact O-N 2.95Å; I49-Y52 PolarHBondContact O-N 3.35Å; I49-L53 HydrophobicContact CG2-CD1 4.03Å; I49-L53 HydrophobicContact CG2-CG 4.32Å; I49-L53 WeakPolarHBondContact O-CG 3.47Å; I49-L53 PolarHBondContact O-N 3.07Å
50F91.7Very high92.1Very high37 Ų3740.4 Ų40.416%0.16221%0.208CC..Hα-helixtrans-55.7-50.6178.5171.5-93.9000111.6L46 H47 Y52 L53 I54 F125 F243 F248L46-F50 WeakPolarHBondContact O-CB 3.42Å; L46-F50 PolarHBondContact O-N 3.39Å; H47-F50 AromaticContact ND1-CD1 3.99Å; H47-F50 WeakPolarHBondContact O-CB 3.15Å; H47-F50 PolarHBondContact O-N 3.29Å; H47-F50 VanDerWaalsContact O-N 3.15Å; F50-Y52 PolarHBondContact O-N 3.41Å; F50-L53 PolarHBondContact O-N 3.48Å; F50-I54 HydrophobicContact CD1-CG1 4.48Å; F50-I54 HydrophobicContact CE1-CG1 4.13Å; F50-I54 HydrophobicContact CE2-CG1 4.27Å; F50-I54 HydrophobicContact CZ-CD1 4.43Å; F50-I54 HydrophobicContact CZ-CG1 4.01Å; F50-I54 WeakPolarHBondContact O-CG1 3.45Å; F50-I54 PolarHBondContact O-N 3.4Å; F50-F125 HydrophobicContact CD2-CE1 4.48Å; F50-F125 AromaticContact CE2-CE1 3.72Å; F50-F125 HydrophobicContact CE2-CE1 3.72Å; F50-F125 HydrophobicContact CE2-CE2 4.26Å; F50-F125 AromaticContact CE2-CZ 3.47Å; F50-F125 HydrophobicContact CE2-CZ 3.47Å; F50-F125 VanDerWaalsContact CE2-CZ 3.47Å; F50-F125 HydrophobicContact CZ-CE2 4.5Å; F50-F125 AromaticContact CZ-CZ 3.86Å; F50-F125 HydrophobicContact CZ-CZ 3.86Å; F50-F243 HydrophobicContact CB-CD1 4.11Å; F50-F243 HydrophobicContact CB-CE1 4.08Å; F50-F243 HydrophobicContact CD2-CD1 4.24Å; F50-F243 HydrophobicContact CG-CD1 4.04Å; F50-F243 HydrophobicContact CG-CE1 4.49Å; F50-F248 HydrophobicContact CZ-CD1 4.29Å; F50-F248 AromaticContact CZ-CE1 3.74Å; F50-F248 HydrophobicContact CZ-CE1 3.74Å; F50-F248 HydrophobicContact CZ-CE2 4.38Å; F50-F248 AromaticContact CZ-CZ 3.81Å; F50-F248 HydrophobicContact CZ-CZ 3.81Å
51L91.1Very high92.3Very high15 Ų1541.8 Ų41.88%0.07921%0.21CC..Hα-helixtrans-62.8-42.4179.1-68.3169.5000112.2H27 H47 I49 L53 I54 T55H27-L51 HydrophobicContact CB-CD1 3.22Å; H27-L51 HydrophobicContact CB-CG 4.49Å; H27-L51 WeakPolarHBondContact CD2-CD2 3.37Å; H47-L51 WeakPolarHBondContact NE2-CD1 3.41Å; H47-L51 VanDerWaalsContact O-CG 3.29Å; H47-L51 WeakPolarHBondContact O-CG 3.23Å; H47-L51 PolarHBondContact O-N 3.24Å; I49-L51 PolarHBondContact O-N 2.95Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.4Å; L51-I54 PolarHBondContact O-N 2.95Å; L51-T55 WeakPolarHBondContact O-CB 3.43Å; L51-T55 PolarHBondContact O-N 2.96Å; L51-T55 PolarHBondContact O-OG1 3.32Å; L51-T55 VanDerWaalsContact O-OG1 3.09Å
52Y92.2Very high92.6Very high43 Ų4347.2 Ų47.217%0.16922%0.219CC..Hα-helixtrans-58.3-45.7175.1171.7-113.1000112F16 V19 F20 C48 I49 F50 T55 L56F16-Y52 VanDerWaalsContact CD1-OH 3.31Å; F16-Y52 WeakPolarHBondContact CD1-OH 3.47Å; V19-Y52 HydrophobicContact CB-CE2 4.25Å; V19-Y52 HydrophobicContact CG1-CD2 4.15Å; V19-Y52 HydrophobicContact CG1-CE2 3.98Å; F20-Y52 VanDerWaalsContact CA-CD2 3.48Å; F20-Y52 HydrophobicContact CB-CD2 3.71Å; F20-Y52 HydrophobicContact CB-CE2 3.74Å; F20-Y52 HydrophobicContact CB-CG 4.41Å; F20-Y52 HydrophobicContact CD2-CD1 4.21Å; F20-Y52 AromaticContact CD2-CD2 3.87Å; F20-Y52 HydrophobicContact CD2-CD2 3.87Å; F20-Y52 HydrophobicContact CD2-CE2 4.47Å; F20-Y52 AromaticContact CD2-CG 3.71Å; F20-Y52 HydrophobicContact CD2-CG 3.71Å; F20-Y52 HydrophobicContact CG-CD2 4.3Å; C48-Y52 VanDerWaalsContact O-CB 3.31Å; C48-Y52 WeakPolarHBondContact O-CB 3.32Å; C48-Y52 PolarHBondContact O-N 3.01Å; I49-Y52 PolarHBondContact O-N 3.35Å; F50-Y52 PolarHBondContact O-N 3.41Å; Y52-T55 PolarHBondContact O-N 3.1Å; Y52-L56 VanDerWaalsContact O-CB 3.29Å; Y52-L56 WeakPolarHBondContact O-CB 3.42Å; Y52-L56 PolarHBondContact O-N 3.25Å
53L93.6Very high92.7Very high52 Ų5250.1 Ų50.127%0.27224%0.237SC..Hα-helixtrans-65.2-39.4178.8-67.4178.2000112.2I49 F50 L51 L56 G57 F71 I72 L75I49-L53 HydrophobicContact CG2-CD1 4.03Å; I49-L53 HydrophobicContact CG2-CG 4.32Å; I49-L53 WeakPolarHBondContact O-CG 3.47Å; I49-L53 PolarHBondContact O-N 3.07Å; F50-L53 PolarHBondContact O-N 3.48Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.4Å; L53-L56 PolarHBondContact O-N 3.42Å; L53-G57 PolarHBondContact O-N 3.09Å; L53-F71 WeakPolarHBondContact O-CE1 3.14Å; L53-I72 HydrophobicContact CB-CD1 4.09Å; L53-L75 HydrophobicContact CD1-CD1 4.13Å; L53-L75 HydrophobicContact CD2-CD1 3.76Å; L53-L75 HydrophobicContact CG-CD1 4.41Å
54I92.3Very high92.9Very high19 Ų1953.3 Ų53.310%0.09727%0.27CS..Hα-helixtrans-66.1-47.6176.1-66.1-66.8000111F50 L51 L56 G57 N58 M68 I72 F125 F248F50-I54 HydrophobicContact CD1-CG1 4.48Å; F50-I54 HydrophobicContact CE1-CG1 4.13Å; F50-I54 HydrophobicContact CE2-CG1 4.27Å; F50-I54 HydrophobicContact CZ-CD1 4.43Å; F50-I54 HydrophobicContact CZ-CG1 4.01Å; F50-I54 WeakPolarHBondContact O-CG1 3.45Å; F50-I54 PolarHBondContact O-N 3.4Å; L51-I54 PolarHBondContact O-N 2.95Å; I54-L56 VanDerWaalsContact C-N 3.3Å; I54-L56 PolarHBondContact O-N 3.17Å; I54-G57 PolarHBondContact O-N 3.09Å; I54-N58 VanDerWaalsContact O-CG 3.26Å; I54-N58 PolarHBondContact O-N 3.48Å; I54-N58 PolarHBondContact O-ND2 3.12Å; I54-M68 HydrophobicContact CD1-SD 3.84Å; I54-I72 HydrophobicContact CD1-CD1 4.18Å; I54-I72 HydrophobicContact CD1-CG1 4.27Å; I54-F125 HydrophobicContact CD1-CE1 3.88Å; I54-F125 HydrophobicContact CD1-CZ 3.55Å; I54-F125 HydrophobicContact CG1-CZ 4.5Å; I54-F248 HydrophobicContact CD1-CZ 4.47Å
55T92.6Very high93.1Very high16 Ų1654.3 Ų54.310%0.09828%0.281CS..Hα-helixtrans-57.8-45.2175.6-68.30000111.2V19 W22 A23 L51 Y52 N58 I59V19-T55 HydrophobicContact CG1-CG2 3.68Å; W22-T55 HydrophobicContact CE3-CG2 4.04Å; W22-T55 HydrophobicContact CZ3-CG2 3.64Å; A23-T55 HydrophobicContact CB-CG2 4.37Å; L51-T55 WeakPolarHBondContact O-CB 3.43Å; L51-T55 PolarHBondContact O-N 2.96Å; L51-T55 PolarHBondContact O-OG1 3.32Å; L51-T55 VanDerWaalsContact O-OG1 3.09Å; Y52-T55 PolarHBondContact O-N 3.1Å; T55-N58 PolarHBondContact O-N 2.92Å; T55-I59 HydrophobicContact CG2-CD1 4.01Å; T55-I59 WeakPolarHBondContact O-CG1 3.27Å; T55-I59 PolarHBondContact O-N 2.82Å
56L93.8Very high93.3Very high9 Ų950.4 Ų50.45%0.04727%0.268CS..Hα-helixtrans-64.8-43179.3-177.659000112F16 Y52 L53 I54 N58 I59 F60 F71F16-L56 HydrophobicContact CD1-CD1 4Å; F16-L56 HydrophobicContact CD1-CD2 4.17Å; F16-L56 HydrophobicContact CE1-CD1 3.55Å; F16-L56 HydrophobicContact CE1-CD2 3.76Å; F16-L56 HydrophobicContact CE1-CG 4.3Å; Y52-L56 VanDerWaalsContact O-CB 3.29Å; Y52-L56 WeakPolarHBondContact O-CB 3.42Å; Y52-L56 PolarHBondContact O-N 3.25Å; L53-L56 PolarHBondContact O-N 3.42Å; I54-L56 VanDerWaalsContact C-N 3.3Å; I54-L56 PolarHBondContact O-N 3.17Å; L56-N58 VanDerWaalsContact C-N 3.33Å; L56-N58 PolarHBondContact O-N 3.12Å; L56-I59 WeakPolarHBondContact O-CB 3.23Å; L56-I59 PolarHBondContact O-N 3.46Å; L56-F60 HydrophobicContact CD1-CD1 4.18Å; L56-F60 HydrophobicContact CD1-CE1 3.64Å; L56-F60 HydrophobicContact CD1-CE2 4.19Å; L56-F60 HydrophobicContact CD1-CZ 3.65Å; L56-F60 HydrophobicContact CD2-CE2 4.15Å; L56-F60 HydrophobicContact CD2-CZ 4.06Å; L56-F60 HydrophobicContact CG-CD2 4.35Å; L56-F60 HydrophobicContact CG-CE1 4.23Å; L56-F60 HydrophobicContact CG-CE2 3.86Å; L56-F60 HydrophobicContact CG-CZ 3.8Å; L56-F60 WeakPolarHBondContact O-CG 3.43Å; L56-F60 PolarHBondContact O-N 3.08Å; L56-F71 HydrophobicContact CB-CE1 4.37Å; L56-F71 HydrophobicContact CD2-CE1 4.34Å; L56-F71 HydrophobicContact CD2-CZ 3.87Å; L56-F71 HydrophobicContact CG-CE1 4.33Å; L56-F71 HydrophobicContact CG-CZ 4.24Å
57G94.8Very high93.5Very high0 Ų050.7 Ų50.70%027%0.271CS..Hα-helixtrans-60.4-41.7174.500000112.5L53 I54 I59 F60 E61 F71L53-G57 PolarHBondContact O-N 3.09Å; I54-G57 PolarHBondContact O-N 3.09Å; G57-I59 VanDerWaalsContact C-N 3.32Å; G57-I59 PolarHBondContact O-N 3.26Å; G57-F60 PolarHBondContact O-N 2.87Å; G57-E61 WeakPolarHBondContact O-CB 3.4Å; G57-E61 PolarHBondContact O-N 3.43Å; G57-F71 VanDerWaalsContact CA-CD1 3.49Å
58N93.3Very high93.6Very high65 Ų6550.4 Ų50.435%0.34827%0.27SS..Hα-helixtrans-64.3-36.2175.2-70-30.3000112.4I54 T55 L56 E61 K62 M68I54-N58 VanDerWaalsContact O-CG 3.26Å; I54-N58 PolarHBondContact O-N 3.48Å; I54-N58 PolarHBondContact O-ND2 3.12Å; T55-N58 PolarHBondContact O-N 2.92Å; L56-N58 VanDerWaalsContact C-N 3.33Å; L56-N58 PolarHBondContact O-N 3.12Å; N58-E61 PolarHBondContact O-N 2.84Å; N58-K62 WeakPolarHBondContact O-CG 3.34Å; N58-K62 PolarHBondContact O-N 3.13Å; N58-M68 WeakPolarHBondContact OD1-CG 3.33Å
59I93.7Very high93.8Very high37 Ų3749.6 Ų49.619%0.1927%0.265CS..Hα-helixtrans-65.1-47.4173.8-71.4167.9000110F15 V19 T55 L56 G57 E61 K62 L63F15-I59 HydrophobicContact CZ-CD1 4.37Å; F15-I59 HydrophobicContact CZ-CG2 4.09Å; V19-I59 HydrophobicContact CG1-CD1 3.79Å; V19-I59 HydrophobicContact CG2-CD1 3.87Å; T55-I59 HydrophobicContact CG2-CD1 4.01Å; T55-I59 WeakPolarHBondContact O-CG1 3.27Å; T55-I59 PolarHBondContact O-N 2.82Å; L56-I59 WeakPolarHBondContact O-CB 3.23Å; L56-I59 PolarHBondContact O-N 3.46Å; G57-I59 VanDerWaalsContact C-N 3.32Å; G57-I59 PolarHBondContact O-N 3.26Å; I59-E61 PolarHBondContact O-N 2.79Å; I59-K62 PolarHBondContact O-N 2.81Å; I59-L63 HydrophobicContact CG2-CD1 3.77Å; I59-L63 HydrophobicContact CG2-CG 4.31Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 VanDerWaalsContact O-CG 3.28Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 2.88Å
60F95.3Very high93.9Very high38 Ų3850.9 Ų50.917%0.16727%0.268CS..Hα-helixtrans-59.5-36.8177-69.9-15.4000112.7F16 L56 G57 L63 G64 I65 C66 F71F16-F60 HydrophobicContact CE1-CZ 4.3Å; F16-F60 HydrophobicContact CZ-CZ 4.44Å; L56-F60 HydrophobicContact CD1-CD1 4.18Å; L56-F60 HydrophobicContact CD1-CE1 3.64Å; L56-F60 HydrophobicContact CD1-CE2 4.19Å; L56-F60 HydrophobicContact CD1-CZ 3.65Å; L56-F60 HydrophobicContact CD2-CE2 4.15Å; L56-F60 HydrophobicContact CD2-CZ 4.06Å; L56-F60 HydrophobicContact CG-CD2 4.35Å; L56-F60 HydrophobicContact CG-CE1 4.23Å; L56-F60 HydrophobicContact CG-CE2 3.86Å; L56-F60 HydrophobicContact CG-CZ 3.8Å; L56-F60 WeakPolarHBondContact O-CG 3.43Å; L56-F60 PolarHBondContact O-N 3.08Å; G57-F60 PolarHBondContact O-N 2.87Å; F60-L63 PolarHBondContact O-N 2.96Å; F60-G64 PolarHBondContact O-N 3.15Å; F60-I65 HydrophobicContact CB-CB 4.24Å; F60-I65 HydrophobicContact CD1-CD1 3.87Å; F60-I65 HydrophobicContact CE1-CD1 4.4Å; F60-I65 HydrophobicContact CG-CD1 4.49Å; F60-I65 PolarHBondContact O-N 3.28Å; F60-C66 CarbonylContact C-O 3.55Å; F60-C66 VanDerWaalsContact C-O 3.31Å; F60-F71 AromaticContact CD2-CD2 3.76Å; F60-F71 HydrophobicContact CD2-CD2 3.76Å; F60-F71 AromaticContact CD2-CE2 3.99Å; F60-F71 HydrophobicContact CD2-CE2 3.99Å; F60-F71 HydrophobicContact CD2-CG 4.03Å; F60-F71 HydrophobicContact CD2-CZ 4.44Å; F60-F71 AromaticContact CE2-CD2 3.81Å; F60-F71 HydrophobicContact CE2-CD2 3.81Å; F60-F71 AromaticContact CE2-CE2 3.57Å; F60-F71 HydrophobicContact CE2-CE2 3.57Å; F60-F71 HydrophobicContact CE2-CG 4.45Å; F60-F71 HydrophobicContact CE2-CZ 4.01Å
61E95.3Very high94.1Very high88 Ų8850.2 Ų50.241%0.41127%0.265SS..Hα-helixtrans-65.6-47.6175.3-177.6154.4-14900111.9G57 N58 I59 L63 G64 C66 M68G57-E61 WeakPolarHBondContact O-CB 3.4Å; G57-E61 PolarHBondContact O-N 3.43Å; N58-E61 PolarHBondContact O-N 2.84Å; I59-E61 PolarHBondContact O-N 2.79Å; E61-L63 VanDerWaalsContact C-N 3.25Å; E61-L63 PolarHBondContact O-N 3.13Å; E61-G64 PolarHBondContact O-N 2.83Å; E61-C66 WeakPolarHBondContact CA-O 3.09Å; E61-C66 PolarHBondContact N-O 3.46Å; E61-C66 VanDerWaalsContact N-O 3.09Å; E61-M68 WeakPolarHBondContact OE2-CB 3.33Å; E61-M68 PolarHBondContact OE2-N 3.12Å
62K94.7Very high94.2Very high189 Ų18949.7 Ų49.782%0.82226%0.263SS*.Hα-helixtrans-62.9-30.8176.1-73.3177.9179.7-177.60113.4N58 I59 G64N58-K62 WeakPolarHBondContact O-CG 3.34Å; N58-K62 PolarHBondContact O-N 3.13Å; I59-K62 PolarHBondContact O-N 2.81Å; K62-G64 VanDerWaalsContact C-N 3.26Å
63L95.3Very high94.2Very high116 Ų11650.3 Ų50.361%0.60727%0.265SS*.THydrogen-bonded Turntrans-81.8-2.6175.7-66.1176.4000113.1I59 F60 E61 I65I59-L63 HydrophobicContact CG2-CD1 3.77Å; I59-L63 HydrophobicContact CG2-CG 4.31Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 VanDerWaalsContact O-CG 3.28Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 2.88Å; F60-L63 PolarHBondContact O-N 2.96Å; E61-L63 VanDerWaalsContact C-N 3.25Å; E61-L63 PolarHBondContact O-N 3.13Å; L63-I65 VanDerWaalsContact C-N 3.27Å; L63-I65 HydrophobicContact CB-CD1 3.98Å; L63-I65 HydrophobicContact CB-CG1 4.01Å; L63-I65 HydrophobicContact CD1-CD1 4.12Å; L63-I65 PolarHBondContact O-N 2.84Å
64G94.4Very high94.1Very high68 Ų6854.3 Ų54.370%0.70128%0.28SS*.THydrogen-bonded Turntrans71.616.8-17900000114.6F60 E61 K62F60-G64 PolarHBondContact O-N 3.15Å; E61-G64 PolarHBondContact O-N 2.83Å; K62-G64 VanDerWaalsContact C-N 3.26Å
65I95.3Very high94.1Very high110 Ų11056 Ų5656%0.56429%0.289SS*.SBendtrans-77.5-55.3-178.7-61.4171.4000110.2F60 L63F60-I65 HydrophobicContact CB-CB 4.24Å; F60-I65 HydrophobicContact CD1-CD1 3.87Å; F60-I65 HydrophobicContact CE1-CD1 4.4Å; F60-I65 HydrophobicContact CG-CD1 4.49Å; F60-I65 PolarHBondContact O-N 3.28Å; L63-I65 VanDerWaalsContact C-N 3.27Å; L63-I65 HydrophobicContact CB-CD1 3.98Å; L63-I65 HydrophobicContact CB-CG1 4.01Å; L63-I65 HydrophobicContact CD1-CD1 4.12Å; L63-I65 PolarHBondContact O-N 2.84Å
66C95.2Very high94Very high41 Ų4157.4 Ų57.428%0.27729%0.294SS..  trans-162.4153.2172.9620000109.8F60 E61F60-C66 CarbonylContact C-O 3.55Å; F60-C66 VanDerWaalsContact C-O 3.31Å; E61-C66 WeakPolarHBondContact CA-O 3.09Å; E61-C66 PolarHBondContact N-O 3.46Å; E61-C66 VanDerWaalsContact N-O 3.09Å
67S95Very high93.6Very high20 Ų2060.8 Ų60.814%0.1431%0.312CS..  trans-64.214717562.90000111.3K70 F71S67-K70 PolarHBondContact O-N 2.67Å; S67-K70 WeakPolarHBondContact OG-CB 3.31Å; S67-K70 WeakPolarHBondContact OG-CD 3.07Å; S67-K70 WeakPolarHBondContact OG-CG 3.28Å; S67-K70 PolarHBondContact OG-N 3.29Å; S67-F71 PolarHBondContact O-N 3.47Å; S67-F71 VanDerWaalsContact O-N 3.09Å
68M94.6Very high93.2Very high11 Ų1164.3 Ų64.35%0.05434%0.337CS..Hα-helixtrans-52.2-45.4179.9179.5-78.3-67.200113.3I54 N58 E61 K70 F71 I72 V124I54-M68 HydrophobicContact CD1-SD 3.84Å; N58-M68 WeakPolarHBondContact OD1-CG 3.33Å; E61-M68 WeakPolarHBondContact OE2-CB 3.33Å; E61-M68 PolarHBondContact OE2-N 3.12Å; M68-K70 VanDerWaalsContact C-N 3.33Å; M68-K70 PolarHBondContact O-N 2.69Å; M68-F71 WeakPolarHBondContact O-CB 3.43Å; M68-F71 PolarHBondContact O-N 2.83Å; M68-I72 WeakPolarHBondContact O-CG1 3.47Å; M68-I72 PolarHBondContact O-N 2.89Å; M68-I72 HydrophobicContact SD-CG1 3.82Å; M68-V124 HydrophobicContact CE-CG1 4.2Å; M68-V124 HydrophobicContact SD-CG1 4.07Å
69P93.9Very high92.8Very high7 Ų764 Ų645%0.04534%0.337CS..Hα-helixtrans-66.5-32.8179.9-18.430.6000113.3I72 R73 V124 V154P69-I72 PolarHBondContact O-N 3.47Å; P69-R73 VanDerWaalsContact O-CB 3.31Å; P69-R73 WeakPolarHBondContact O-CB 3.29Å; P69-R73 PolarHBondContact O-N 2.78Å; P69-V124 HydrophobicContact CB-CG1 4.01Å; P69-V124 HydrophobicContact CG-CG1 4.39Å; P69-V154 HydrophobicContact CB-CG2 4.2Å; P69-V154 WeakPolarHBondContact CB-O 3.47Å; P69-V154 HydrophobicContact CG-CG2 4.19Å
70K94.3Very high92.4Very high88 Ų8873.6 Ų73.638%0.38337%0.371SS..Hα-helixtrans-67-39.4174.3-73.4178.6-179.7173.60111.7S67 M68 R73 F74 P155 D156S67-K70 PolarHBondContact O-N 2.67Å; S67-K70 WeakPolarHBondContact OG-CB 3.31Å; S67-K70 WeakPolarHBondContact OG-CD 3.07Å; S67-K70 WeakPolarHBondContact OG-CG 3.28Å; S67-K70 PolarHBondContact OG-N 3.29Å; M68-K70 VanDerWaalsContact C-N 3.33Å; M68-K70 PolarHBondContact O-N 2.69Å; K70-R73 PolarHBondContact O-N 3.47Å; K70-F74 PolarHBondContact O-N 3.41Å; K70-P155 HydrophobicContact CD-CG 4.47Å; K70-P155 HydrophobicContact CG-CG 4.33Å; K70-D156 VanDerWaalsContact CE-CG 3.45Å; K70-D156 WeakPolarHBondContact CE-OD1 3.31Å; K70-D156 WeakPolarHBondContact CE-OD2 3.47Å; K70-D156 IonicContact NZ-OD1 3.92Å; K70-D156 PolarHBondContact NZ-OD1 3.44Å; K70-D156 IonicContact NZ-OD2 3.82Å
71F95.4Very high92Very high23 Ų2375.5 Ų75.510%0.10138%0.382CS..Hα-helixtrans-60.3-49.4174.1171.7-114.4000111.6L53 L56 G57 F60 S67 M68 R73 F74 L75L53-F71 WeakPolarHBondContact O-CE1 3.14Å; L56-F71 HydrophobicContact CB-CE1 4.37Å; L56-F71 HydrophobicContact CD2-CE1 4.34Å; L56-F71 HydrophobicContact CD2-CZ 3.87Å; L56-F71 HydrophobicContact CG-CE1 4.33Å; L56-F71 HydrophobicContact CG-CZ 4.24Å; G57-F71 VanDerWaalsContact CA-CD1 3.49Å; F60-F71 AromaticContact CD2-CD2 3.76Å; F60-F71 HydrophobicContact CD2-CD2 3.76Å; F60-F71 AromaticContact CD2-CE2 3.99Å; F60-F71 HydrophobicContact CD2-CE2 3.99Å; F60-F71 HydrophobicContact CD2-CG 4.03Å; F60-F71 HydrophobicContact CD2-CZ 4.44Å; F60-F71 AromaticContact CE2-CD2 3.81Å; F60-F71 HydrophobicContact CE2-CD2 3.81Å; F60-F71 AromaticContact CE2-CE2 3.57Å; F60-F71 HydrophobicContact CE2-CE2 3.57Å; F60-F71 HydrophobicContact CE2-CG 4.45Å; F60-F71 HydrophobicContact CE2-CZ 4.01Å; S67-F71 PolarHBondContact O-N 3.47Å; S67-F71 VanDerWaalsContact O-N 3.09Å; M68-F71 WeakPolarHBondContact O-CB 3.43Å; M68-F71 PolarHBondContact O-N 2.83Å; F71-R73 VanDerWaalsContact C-N 3.34Å; F71-R73 PolarHBondContact O-N 2.98Å; F71-F74 WeakPolarHBondContact O-CB 3.06Å; F71-F74 PolarHBondContact O-N 2.98Å; F71-L75 HydrophobicContact CD1-CD1 4.43Å; F71-L75 HydrophobicContact CE1-CD1 3.82Å; F71-L75 HydrophobicContact CE2-CD1 4.2Å; F71-L75 HydrophobicContact CE2-CD2 4.3Å; F71-L75 HydrophobicContact CE2-CG 4.26Å; F71-L75 HydrophobicContact CZ-CD1 3.7Å; F71-L75 HydrophobicContact CZ-CD2 4.42Å; F71-L75 HydrophobicContact CZ-CG 4.25Å; F71-L75 PolarHBondContact O-N 3.5Å
72I94.3Very high91.6Very high4 Ų477.5 Ų77.52%0.02139%0.39CS..Hα-helixtrans-60.9-43.4177.7-66.6-58.2000111.5L53 I54 M68 P69 F74 L75 H76 F125L53-I72 HydrophobicContact CB-CD1 4.09Å; I54-I72 HydrophobicContact CD1-CD1 4.18Å; I54-I72 HydrophobicContact CD1-CG1 4.27Å; M68-I72 WeakPolarHBondContact O-CG1 3.47Å; M68-I72 PolarHBondContact O-N 2.89Å; M68-I72 HydrophobicContact SD-CG1 3.82Å; P69-I72 PolarHBondContact O-N 3.47Å; I72-F74 VanDerWaalsContact C-N 3.34Å; I72-F74 PolarHBondContact O-N 3.06Å; I72-L75 WeakPolarHBondContact O-CB 3.4Å; I72-L75 PolarHBondContact O-N 3.07Å; I72-H76 PolarHBondContact O-N 3Å; I72-F125 HydrophobicContact CD1-CE1 4.48Å; I72-F125 HydrophobicContact CG1-CE1 4.34Å; I72-F125 HydrophobicContact CG2-CD1 3.33Å; I72-F125 HydrophobicContact CG2-CE1 3.63Å; I72-F125 HydrophobicContact CG2-CG 4.26Å
73R90.9Very high91.4Very high56 Ų5678 Ų7821%0.21139%0.392CS..Hα-helixtrans-59.7-44177.3-165.5-173.1-50.3167.95.1111.9P69 K70 F71 L75 H76 D77 V154 D156P69-R73 VanDerWaalsContact O-CB 3.31Å; P69-R73 WeakPolarHBondContact O-CB 3.29Å; P69-R73 PolarHBondContact O-N 2.78Å; K70-R73 PolarHBondContact O-N 3.47Å; F71-R73 VanDerWaalsContact C-N 3.34Å; F71-R73 PolarHBondContact O-N 2.98Å; R73-L75 VanDerWaalsContact C-N 3.3Å; R73-L75 PolarHBondContact O-N 2.87Å; R73-H76 WeakPolarHBondContact O-CB 3.27Å; R73-H76 PolarHBondContact O-N 2.82Å; R73-H76 VanDerWaalsContact O-N 3.09Å; R73-D77 VanDerWaalsContact O-CG 3.3Å; R73-D77 PolarHBondContact O-N 2.95Å; R73-V154 PolarHBondContact NH2-O 3.25Å; R73-D156 IonicContact CZ-OD2 3.52Å; R73-D156 IonicContact NH1-OD2 3.88Å; R73-D156 PolarHBondContact NH1-OD2 3.42Å; R73-D156 IonicContact NH2-OD2 3.33Å
74F92Very high91.3Very high135 Ų13573.3 Ų73.359%0.59237%0.367SS*.Hα-helixtrans-57.3-42.3175.2170.3-97.7000112.5K70 F71 I72 H76 S78K70-F74 PolarHBondContact O-N 3.41Å; F71-F74 WeakPolarHBondContact O-CB 3.06Å; F71-F74 PolarHBondContact O-N 2.98Å; I72-F74 VanDerWaalsContact C-N 3.34Å; I72-F74 PolarHBondContact O-N 3.06Å; F74-H76 VanDerWaalsContact C-N 3.33Å; F74-H76 PolarHBondContact O-N 2.87Å; F74-S78 WeakPolarHBondContact O-CB 3.42Å; F74-S78 PolarHBondContact O-N 3.49Å; F74-S78 PolarHBondContact O-OG 3.49Å
75L92.4Very high91.3Very high56 Ų5674.9 Ų74.929%0.29337%0.365SS..Hα-helixtrans-64.3-39.2175.8-63.2177.5000112L53 F71 I72 R73 S78L53-L75 HydrophobicContact CD1-CD1 4.13Å; L53-L75 HydrophobicContact CD2-CD1 3.76Å; L53-L75 HydrophobicContact CG-CD1 4.41Å; F71-L75 HydrophobicContact CD1-CD1 4.43Å; F71-L75 HydrophobicContact CE1-CD1 3.82Å; F71-L75 HydrophobicContact CE2-CD1 4.2Å; F71-L75 HydrophobicContact CE2-CD2 4.3Å; F71-L75 HydrophobicContact CE2-CG 4.26Å; F71-L75 HydrophobicContact CZ-CD1 3.7Å; F71-L75 HydrophobicContact CZ-CD2 4.42Å; F71-L75 HydrophobicContact CZ-CG 4.25Å; F71-L75 PolarHBondContact O-N 3.5Å; I72-L75 WeakPolarHBondContact O-CB 3.4Å; I72-L75 PolarHBondContact O-N 3.07Å; R73-L75 VanDerWaalsContact C-N 3.3Å; R73-L75 PolarHBondContact O-N 2.87Å; L75-S78 PolarHBondContact O-N 2.93Å
76H89.4Confident91.3Very high45 Ų4575.1 Ų75.121%0.20836%0.364CS..Hα-helixtrans-69.3-40.6179.8-76.1-174.4000113.4I72 R73 F74 S78 V79 F125 G126 C130I72-H76 PolarHBondContact O-N 3Å; R73-H76 WeakPolarHBondContact O-CB 3.27Å; R73-H76 PolarHBondContact O-N 2.82Å; R73-H76 VanDerWaalsContact O-N 3.09Å; F74-H76 VanDerWaalsContact C-N 3.33Å; F74-H76 PolarHBondContact O-N 2.87Å; H76-S78 PolarHBondContact O-N 3.44Å; H76-V79 WeakPolarHBondContact O-CB 3.42Å; H76-V79 VanDerWaalsContact O-CG2 3.25Å; H76-V79 WeakPolarHBondContact O-CG2 3.49Å; H76-V79 PolarHBondContact O-N 3Å; H76-F125 AromaticContact CE1-CD1 3.64Å; H76-G126 PolarHBondContact ND1-N 3.24Å; H76-C130 WeakPolarHBondContact CB-SG 3.31Å
77D85.6Confident91.4Very high79 Ų7973.5 Ų73.542%0.42235%0.353SS..Hα-helixtrans-74.4-13.6177.5-62.4-16.6000111.9R73 V79 S127R73-D77 VanDerWaalsContact O-CG 3.3Å; R73-D77 PolarHBondContact O-N 2.95Å; D77-V79 VanDerWaalsContact C-N 3.29Å; D77-S127 WeakPolarHBondContact OD1-CB 3.32Å; D77-S127 PolarHBondContact OD1-OG 3.21Å
78S86.1Confident91.5Very high74 Ų7475.6 Ų75.652%0.51736%0.364SS..THydrogen-bonded Turntrans-83.7-1.6173.4-60.80000113.5F74 L75 H76 R80F74-S78 WeakPolarHBondContact O-CB 3.42Å; F74-S78 PolarHBondContact O-N 3.49Å; F74-S78 PolarHBondContact O-OG 3.49Å; L75-S78 PolarHBondContact O-N 2.93Å; H76-S78 PolarHBondContact O-N 3.44Å; S78-R80 PolarHBondContact O-N 3.32Å
79V85.5Confident91.7Very high58 Ų5877.5 Ų77.535%0.35238%0.376SS..SBendtrans-70.8125.3-179.5175.80000110.2H76 D77 I81H76-V79 WeakPolarHBondContact O-CB 3.42Å; H76-V79 VanDerWaalsContact O-CG2 3.25Å; H76-V79 WeakPolarHBondContact O-CG2 3.49Å; H76-V79 PolarHBondContact O-N 3Å; D77-V79 VanDerWaalsContact C-N 3.29Å; V79-I81 PolarHBondContact O-N 2.91Å; V79-I81 VanDerWaalsContact O-N 3.16Å
80R84.9Confident91.9Very high239 Ų23979.6 Ų79.690%0.90239%0.389SS*.  trans-66.6115.6175.5-68.7-174.6-179.5-174.10.4110.9S78S78-R80 PolarHBondContact O-N 3.32Å
81I87.9Confident92Very high79 Ų7980 Ų8041%0.40540%0.396SS..PPolyproline II helixtrans-76.5142.1170.760.5168.7000111.2V79 D129 H132V79-I81 PolarHBondContact O-N 2.91Å; V79-I81 VanDerWaalsContact O-N 3.16Å; I81-D129 HydrophobicContact CG2-CB 3.79Å; I81-D129 WeakPolarHBondContact CG2-OD1 3.45Å; I81-H132 HydrophobicContact CB-CB 4.45Å; I81-H132 HydrophobicContact CG2-CB 3.82Å
82K86.9Confident92.1Very high130 Ų13081.8 Ų81.857%0.56541%0.406SS*.PPolyproline II helixtrans-100.7126.1175.5-67.1178.6-172.6162.90109.1H132K82-H132 PolarHBondContact O-NE2 3.14Å; K82-H132 VanDerWaalsContact O-NE2 3.08Å
83K90.7Very high92.3Very high199 Ų19989.3 Ų89.387%0.86543%0.434SS*.PPolyproline II helixtrans-68.8140.2172.3-64.8-174.7178.4-177.20110.2
84D91.6Very high92.7Very high17 Ų1787.3 Ų87.39%0.09143%0.427CS..PPolyproline II helixtrans-98.9128.5169.1-155.9-63.7000109.6E86 L87 N136 R140D84-E86 PolarHBondContact O-N 2.83Å; D84-E86 WeakPolarHBondContact OD1-CB 3.43Å; D84-E86 PolarHBondContact OD1-N 2.97Å; D84-L87 HydrophobicContact CB-CB 4.25Å; D84-L87 HydrophobicContact CB-CG 4.3Å; D84-N136 WeakPolarHBondContact CB-ND2 3.46Å; D84-N136 VanDerWaalsContact CB-OD1 3.23Å; D84-N136 WeakPolarHBondContact CB-OD1 3.41Å; D84-N136 PolarHBondContact OD2-ND2 3.34Å; D84-N136 PolarHBondContact OD2-OD1 2.59Å; D84-R140 IonicContact OD2-NH1 2.98Å; D84-R140 PolarHBondContact OD2-NH1 2.86Å
85P94.4Very high92.8Very high102 Ų10284.1 Ų84.166%0.66243%0.432SS*.SBendtrans-65.7-21.5176.227.8-34.6000112.7K105P85-K105 VanDerWaalsContact O-CD 3.3Å; P85-K105 WeakPolarHBondContact O-CD 3.4Å; P85-K105 WeakPolarHBondContact O-CE 3.48Å; P85-K105 PolarHBondContact O-NZ 3.33Å
86E96.1Very high93Very high114 Ų11486.1 Ų86.153%0.53345%0.447SS..SBendtrans-91.9-15.3-175.8-59.6-174.6176.100113.8D84 K105 R140D84-E86 PolarHBondContact O-N 2.83Å; D84-E86 WeakPolarHBondContact OD1-CB 3.43Å; D84-E86 PolarHBondContact OD1-N 2.97Å; E86-K105 WeakPolarHBondContact O-CB 3.33Å; E86-K105 PolarHBondContact O-N 3.12Å; E86-R140 WeakPolarHBondContact OE2-CD 3.26Å; E86-R140 VanDerWaalsContact OE2-CG 3.3Å; E86-R140 WeakPolarHBondContact OE2-CG 3.38Å
87L97.5Very high93.4Very high8 Ų884.3 Ų84.34%0.04244%0.439CS..EExtended strand (participates in β ladder)trans-112.8145.2-179.5-55.6-168.3000112.8D84 V89 F102 Q103 P104 K105 N136 A139 R140D84-L87 HydrophobicContact CB-CB 4.25Å; D84-L87 HydrophobicContact CB-CG 4.3Å; L87-V89 HydrophobicContact CB-CG2 4.28Å; L87-F102 HydrophobicContact CD1-CB 4.15Å; L87-F102 HydrophobicContact CD1-CD1 4.27Å; L87-Q103 CarbonylContact C-O 3.57Å; L87-Q103 VanDerWaalsContact CA-O 3.3Å; L87-Q103 WeakPolarHBondContact CA-O 3.35Å; L87-P104 HydrophobicContact CD2-CB 4.22Å; L87-P104 HydrophobicContact CD2-CG 4.16Å; L87-K105 WeakPolarHBondContact O-CE 3.43Å; L87-N136 HydrophobicContact CD1-CB 4.47Å; L87-N136 WeakPolarHBondContact CD1-OD1 3.33Å; L87-A139 HydrophobicContact CD1-CB 3.78Å; L87-R140 HydrophobicContact CD1-CB 4.49Å; L87-R140 HydrophobicContact CD2-CB 4.29Å
88V97.3Very high94.1Very high64 Ų6482.8 Ų82.839%0.38843%0.433SS..EExtended strand (participates in β ladder)trans-89.1123.7156.9-173.20000107Q103 K105V88-Q103 PolarHBondContact N-O 3.49Å; V88-Q103 PolarHBondContact O-N 3.19Å; V88-K105 HydrophobicContact CG2-CD 4.36Å; V88-K105 HydrophobicContact CG2-CG 3.52Å
89V98.1Very high94.7Very high50 Ų5079.3 Ų79.330%0.30341%0.408SS..EExtended strand (participates in β ladder)trans-114.4123.1175.5-174.70000108.3L87 R100 L101 F102L87-V89 HydrophobicContact CB-CG2 4.28Å; V89-R100 HydrophobicContact CG1-CG 3.56Å; V89-L101 CarbonylContact C-O 3.55Å; V89-L101 VanDerWaalsContact CA-O 3.3Å; V89-L101 WeakPolarHBondContact CA-O 3.21Å; V89-F102 HydrophobicContact CB-CD1 4.42Å; V89-F102 HydrophobicContact CG1-CD1 4.02Å; V89-F102 HydrophobicContact CG1-CE1 3.89Å; V89-F102 HydrophobicContact CG1-CZ 4.29Å; V89-F102 HydrophobicContact CG2-CD1 3.58Å; V89-F102 HydrophobicContact CG2-CE1 3.98Å; V89-F102 HydrophobicContact CG2-CG 4.38Å
90T97.8Very high95.3Very high51 Ų5177 Ų7731%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-127.6122.9-175.5-51.30000110.1L92 L101T90-L92 HydrophobicContact CG2-CD2 3.64Å; T90-L92 HydrophobicContact CG2-CG 3.9Å; T90-L101 PolarHBondContact N-O 3.01Å; T90-L101 PolarHBondContact O-N 3.3Å
91D97.9Very high95.9Very high98 Ų9865.7 Ų65.752%0.52435%0.351SS..EExtended strand (participates in β ladder)trans-82.4124.2169.4-72.6-24000109R100D91-R100 WeakPolarHBondContact OD1-CB 3.44Å; D91-R100 WeakPolarHBondContact OD1-CG 3.04Å; D91-R100 IonicContact OD1-CZ 3.26Å; D91-R100 IonicContact OD1-NE 3.11Å; D91-R100 PolarHBondContact OD1-NE 3.41Å; D91-R100 IonicContact OD1-NH2 3.59Å; D91-R100 PolarHBondContact OD1-NH2 3.38Å; D91-R100 IonicContact OD2-CZ 2.92Å; D91-R100 IonicContact OD2-NE 3.25Å; D91-R100 IonicContact OD2-NH2 3.72Å; D91-R100 PolarHBondContact OD2-NH2 2.99Å
92L97.8Very high96.4Very high59 Ų5962 Ų6231%0.30933%0.332SS..EExtended strand (participates in β ladder)trans-129.7174.8-177-61.2174000109.8T90 V99 L101T90-L92 HydrophobicContact CG2-CD2 3.64Å; T90-L92 HydrophobicContact CG2-CG 3.9Å; L92-V99 HydrophobicContact CB-CG2 3.77Å; L92-V99 PolarHBondContact N-O 3.13Å; L92-V99 PolarHBondContact O-N 2.89Å; L92-V99 VanDerWaalsContact O-O 3.11Å; L92-L101 HydrophobicContact CD1-CB 4.34Å; L92-L101 HydrophobicContact CD1-CD2 4.4Å
93R98.3Very high97Very high162 Ų16258.3 Ų58.361%0.61132%0.317SS*.EExtended strand (participates in β ladder)trans-131.4130.5167.7-61.5-174117.4-1340.6110.5T96 I97R93-T96 PolarHBondContact NH2-O 2.93Å; R93-T96 VanDerWaalsContact NH2-O 3.14Å; R93-I97 CarbonylContact C-O 3.59Å; R93-I97 VanDerWaalsContact CA-O 3.27Å; R93-I97 WeakPolarHBondContact CA-O 3.24Å
94F97.9Very high97.3Very high14 Ų1449.8 Ų49.86%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-98.196.9167.1-66.1-11.8000107.4T96 I97 V99 L147 A169 H172 F173 Y180F94-T96 PolarHBondContact O-N 2.99Å; F94-I97 PolarHBondContact N-O 3.28Å; F94-I97 WeakPolarHBondContact O-CB 3.18Å; F94-I97 PolarHBondContact O-N 3.48Å; F94-I97 VanDerWaalsContact O-N 3.09Å; F94-V99 HydrophobicContact CD1-CG2 4.1Å; F94-V99 HydrophobicContact CD2-CG1 4.07Å; F94-V99 HydrophobicContact CD2-CG2 4.22Å; F94-V99 HydrophobicContact CE1-CG2 4.06Å; F94-V99 HydrophobicContact CE2-CG2 4.2Å; F94-V99 HydrophobicContact CG-CG1 4.34Å; F94-V99 HydrophobicContact CG-CG2 4.17Å; F94-V99 HydrophobicContact CZ-CG2 4.11Å; F94-L147 HydrophobicContact CD2-CD2 4.45Å; F94-L147 HydrophobicContact CE2-CD1 3.89Å; F94-L147 HydrophobicContact CE2-CD2 3.71Å; F94-L147 HydrophobicContact CE2-CG 4.48Å; F94-L147 HydrophobicContact CZ-CD1 4.05Å; F94-A169 HydrophobicContact CD2-CB 4.15Å; F94-H172 HydrophobicContact CB-CB 4.39Å; F94-H172 AromaticContact CD1-CD2 3.43Å; F94-H172 VanDerWaalsContact CD1-CD2 3.43Å; F94-H172 WeakPolarHBondContact CD1-CD2 3.3Å; F94-H172 AromaticContact CD1-NE2 3.57Å; F94-H172 HydrophobicContact CD2-CB 3.82Å; F94-H172 AromaticContact CD2-CD2 3.48Å; F94-H172 VanDerWaalsContact CD2-CD2 3.48Å; F94-H172 WeakPolarHBondContact CD2-CD2 3.17Å; F94-H172 AromaticContact CD2-CG 3.81Å; F94-H172 AromaticContact CE1-CD2 3.5Å; F94-H172 AromaticContact CE1-NE2 3.69Å; F94-H172 HydrophobicContact CE2-CB 4.33Å; F94-H172 AromaticContact CE2-CD2 3.53Å; F94-H172 HydrophobicContact CG-CB 4.19Å; F94-H172 AromaticContact CG-CD2 3.43Å; F94-H172 VanDerWaalsContact CG-CD2 3.43Å; F94-H172 WeakPolarHBondContact CG-CD2 3.43Å; F94-H172 AromaticContact CG-CG 3.79Å; F94-H172 AromaticContact CG-NE2 3.99Å; F94-H172 AromaticContact CZ-CD2 3.55Å; F94-F173 HydrophobicContact CE2-CB 4.18Å; F94-Y180 WeakPolarHBondContact CE1-OH 2.96Å; F94-Y180 HydrophobicContact CZ-CE2 4.33Å; F94-Y180 WeakPolarHBondContact CZ-OH 3.3Å
95G95.8Very high97.5Very high68 Ų6854.6 Ų54.670%0.70130%0.301SS*.THydrogen-bonded Turntrans61.9-116.8-165.200000110.9
96T96Very high97.3Very high98 Ų9852.9 Ų52.960%0.60130%0.296SS*.THydrogen-bonded Turntrans-91.2-6.6177.355.70000113.9R93 F94 P98R93-T96 PolarHBondContact NH2-O 2.93Å; R93-T96 VanDerWaalsContact NH2-O 3.14Å; F94-T96 PolarHBondContact O-N 2.99Å; T96-P98 WeakPolarHBondContact O-CD 3.24Å
97I98.4Very high97Very high8 Ų852.5 Ų52.54%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-89.8116-170.5-56.5154.4000108.9R93 F94 V99 I149 D165 N168 A169R93-I97 CarbonylContact C-O 3.59Å; R93-I97 VanDerWaalsContact CA-O 3.27Å; R93-I97 WeakPolarHBondContact CA-O 3.24Å; F94-I97 PolarHBondContact N-O 3.28Å; F94-I97 WeakPolarHBondContact O-CB 3.18Å; F94-I97 PolarHBondContact O-N 3.48Å; F94-I97 VanDerWaalsContact O-N 3.09Å; I97-V99 HydrophobicContact CG2-CG1 4.24Å; I97-I149 HydrophobicContact CG2-CG2 3.97Å; I97-D165 HydrophobicContact CD1-CB 4.17Å; I97-D165 WeakPolarHBondContact CD1-O 3.48Å; I97-D165 HydrophobicContact CG1-CB 4.07Å; I97-D165 HydrophobicContact CG2-CB 4.26Å; I97-N168 HydrophobicContact CD1-CB 3.89Å; I97-A169 HydrophobicContact CD1-CB 4.38Å; I97-A169 HydrophobicContact CG2-CB 4.25Å
98P98.3Very high96.7Very high46 Ų4654.6 Ų54.630%0.29933%0.328SS..EExtended strand (participates in β ladder)trans-69.4134.6174.130.1-32.1000109.7T96 L128 G150T96-P98 WeakPolarHBondContact O-CD 3.24Å; P98-L128 HydrophobicContact CB-CD1 4.29Å; P98-G150 WeakPolarHBondContact CD-O 3.16Å; P98-G150 VanDerWaalsContact CG-O 3.25Å; P98-G150 WeakPolarHBondContact CG-O 3.37Å; P98-G150 VanDerWaalsContact O-CA 3.29Å; P98-G150 WeakPolarHBondContact O-CA 2.66Å; P98-G150 PolarHBondContact O-N 3.09Å
99V98.8Very high96.2Very high1 Ų157.9 Ų57.91%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-134.5152.3176.7-57.60000109.3L92 F94 I97 L147 M148 I149 A169L92-V99 HydrophobicContact CB-CG2 3.77Å; L92-V99 PolarHBondContact N-O 3.13Å; L92-V99 PolarHBondContact O-N 2.89Å; L92-V99 VanDerWaalsContact O-O 3.11Å; F94-V99 HydrophobicContact CD1-CG2 4.1Å; F94-V99 HydrophobicContact CD2-CG1 4.07Å; F94-V99 HydrophobicContact CD2-CG2 4.22Å; F94-V99 HydrophobicContact CE1-CG2 4.06Å; F94-V99 HydrophobicContact CE2-CG2 4.2Å; F94-V99 HydrophobicContact CG-CG1 4.34Å; F94-V99 HydrophobicContact CG-CG2 4.17Å; F94-V99 HydrophobicContact CZ-CG2 4.11Å; I97-V99 HydrophobicContact CG2-CG1 4.24Å; V99-L147 HydrophobicContact CB-CD1 3.72Å; V99-L147 HydrophobicContact CB-CG 4.46Å; V99-L147 HydrophobicContact CG1-CD1 4.35Å; V99-L147 HydrophobicContact CG2-CD1 3.76Å; V99-M148 CarbonylContact C-O 3.27Å; V99-M148 WeakPolarHBondContact CA-O 3.46Å; V99-I149 HydrophobicContact CG1-CG1 4.32Å; V99-A169 HydrophobicContact CG1-CB 4.23Å
100R98.6Very high96Very high10 Ų1063 Ų634%0.03837%0.367CS..EExtended strand (participates in β ladder)trans-120.7120.7174.6-178172.4-75.9168.5-3.4109.3V89 D91 F102 L128 D129 H132 M148V89-R100 HydrophobicContact CG1-CG 3.56Å; D91-R100 WeakPolarHBondContact OD1-CB 3.44Å; D91-R100 WeakPolarHBondContact OD1-CG 3.04Å; D91-R100 IonicContact OD1-CZ 3.26Å; D91-R100 IonicContact OD1-NE 3.11Å; D91-R100 PolarHBondContact OD1-NE 3.41Å; D91-R100 IonicContact OD1-NH2 3.59Å; D91-R100 PolarHBondContact OD1-NH2 3.38Å; D91-R100 IonicContact OD2-CZ 2.92Å; D91-R100 IonicContact OD2-NE 3.25Å; D91-R100 IonicContact OD2-NH2 3.72Å; D91-R100 PolarHBondContact OD2-NH2 2.99Å; R100-F102 HydrophobicContact CB-CE2 4.06Å; R100-F102 HydrophobicContact CG-CD2 4.19Å; R100-F102 HydrophobicContact CG-CE1 4.48Å; R100-F102 HydrophobicContact CG-CE2 3.51Å; R100-F102 HydrophobicContact CG-CZ 3.68Å; R100-L128 HydrophobicContact CB-CD1 4.31Å; R100-L128 HydrophobicContact CB-CD2 4.15Å; R100-L128 VanDerWaalsContact NH1-C 3.35Å; R100-L128 PolarHBondContact NH1-O 3.41Å; R100-D129 IonicContact CZ-OD1 2.92Å; R100-D129 VanDerWaalsContact CZ-OD1 3.25Å; R100-D129 IonicContact NH1-OD1 2.71Å; R100-D129 PolarHBondContact NH1-OD1 3.45Å; R100-D129 IonicContact NH2-OD1 2.7Å; R100-D129 PolarHBondContact NH2-OD1 3.27Å; R100-H132 PolarHBondContact NH1-ND1 3.38Å; R100-M148 HydrophobicContact CB-CE 4.11Å; R100-M148 HydrophobicContact CG-CE 4.46Å; R100-M148 PolarHBondContact N-O 2.92Å; R100-M148 PolarHBondContact O-N 3.02Å
101L98.6Very high95.8Very high2 Ų264 Ų641%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-98.4132.1178.6-167.172.2000109.7V89 T90 L92 Q103 V145 L146 L147 F173 Y180V89-L101 CarbonylContact C-O 3.55Å; V89-L101 VanDerWaalsContact CA-O 3.3Å; V89-L101 WeakPolarHBondContact CA-O 3.21Å; T90-L101 PolarHBondContact N-O 3.01Å; T90-L101 PolarHBondContact O-N 3.3Å; L92-L101 HydrophobicContact CD1-CB 4.34Å; L92-L101 HydrophobicContact CD1-CD2 4.4Å; L101-Q103 VanDerWaalsContact CD2-CD 3.49Å; L101-Q103 HydrophobicContact CD2-CG 3.87Å; L101-Q103 VanDerWaalsContact CD2-OE1 3.28Å; L101-Q103 HydrophobicContact CG-CG 3.92Å; L101-V145 HydrophobicContact CD1-CG1 3.7Å; L101-V145 HydrophobicContact CG-CG1 4.32Å; L101-L146 CarbonylContact C-O 3.53Å; L101-L146 WeakPolarHBondContact CA-O 3.32Å; L101-L147 HydrophobicContact CD1-CB 4.28Å; L101-L147 HydrophobicContact CD1-CD1 4.06Å; L101-F173 HydrophobicContact CD1-CE2 3.93Å; L101-Y180 HydrophobicContact CD2-CD1 3.49Å; L101-Y180 VanDerWaalsContact CD2-CD1 3.49Å; L101-Y180 HydrophobicContact CD2-CE1 3.59Å; L101-Y180 HydrophobicContact CD2-CG 4.44Å
102F98.6Very high95.8Very high0 Ų060.5 Ų60.50%035%0.354CS..EExtended strand (participates in β ladder)trans-116.2121.4175.1-58.3-105.7000108.3L87 V89 R100 H132 C135 N136 A139 V145 L146 M148L87-F102 HydrophobicContact CD1-CB 4.15Å; L87-F102 HydrophobicContact CD1-CD1 4.27Å; V89-F102 HydrophobicContact CB-CD1 4.42Å; V89-F102 HydrophobicContact CG1-CD1 4.02Å; V89-F102 HydrophobicContact CG1-CE1 3.89Å; V89-F102 HydrophobicContact CG1-CZ 4.29Å; V89-F102 HydrophobicContact CG2-CD1 3.58Å; V89-F102 HydrophobicContact CG2-CE1 3.98Å; V89-F102 HydrophobicContact CG2-CG 4.38Å; R100-F102 HydrophobicContact CB-CE2 4.06Å; R100-F102 HydrophobicContact CG-CD2 4.19Å; R100-F102 HydrophobicContact CG-CE1 4.48Å; R100-F102 HydrophobicContact CG-CE2 3.51Å; R100-F102 HydrophobicContact CG-CZ 3.68Å; F102-H132 AromaticContact CE1-CE1 3.95Å; F102-H132 AromaticContact CE1-ND1 3.95Å; F102-C135 HydrophobicContact CD2-CB 4.14Å; F102-C135 HydrophobicContact CE1-CB 4.2Å; F102-C135 HydrophobicContact CE2-CB 3.6Å; F102-C135 HydrophobicContact CZ-CB 3.64Å; F102-N136 HydrophobicContact CD1-CB 4.14Å; F102-N136 HydrophobicContact CE1-CB 4Å; F102-A139 HydrophobicContact CB-CB 3.78Å; F102-V145 WeakPolarHBondContact O-CA 3.34Å; F102-L146 HydrophobicContact CB-CB 4.29Å; F102-L146 HydrophobicContact CD2-CD2 3.73Å; F102-L146 HydrophobicContact CE2-CD2 4.11Å; F102-L146 PolarHBondContact N-O 3.03Å; F102-L146 PolarHBondContact O-N 3.23Å; F102-M148 HydrophobicContact CE2-CB 4.12Å; F102-M148 HydrophobicContact CE2-CE 3.84Å; F102-M148 HydrophobicContact CZ-CE 3.85Å
103Q97.9Very high95.8Very high54 Ų5459.4 Ų59.425%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-129.6129.4-176.6-64.3-178.8-85.300110.9L87 V88 L101 K105 V145L87-Q103 CarbonylContact C-O 3.57Å; L87-Q103 VanDerWaalsContact CA-O 3.3Å; L87-Q103 WeakPolarHBondContact CA-O 3.35Å; V88-Q103 PolarHBondContact N-O 3.49Å; V88-Q103 PolarHBondContact O-N 3.19Å; L101-Q103 VanDerWaalsContact CD2-CD 3.49Å; L101-Q103 HydrophobicContact CD2-CG 3.87Å; L101-Q103 VanDerWaalsContact CD2-OE1 3.28Å; L101-Q103 HydrophobicContact CG-CG 3.92Å; Q103-K105 PolarHBondContact O-N 2.97Å; Q103-V145 HydrophobicContact CG-CG1 3.97Å; Q103-V145 HydrophobicContact CG-CG2 4.23Å
104P97.3Very high95.8Very high19 Ų1951.7 Ų51.712%0.12332%0.317CS..EExtended strand (participates in β ladder)trans-60.2131.1171.8-23.734.1000111.7L87 A106 S144L87-P104 HydrophobicContact CD2-CB 4.22Å; L87-P104 HydrophobicContact CD2-CG 4.16Å; P104-A106 VanDerWaalsContact C-N 3.35Å; P104-S144 WeakPolarHBondContact CD-O 3.3Å
105K95.4Very high95.8Very high118 Ų11851.4 Ų51.451%0.51332%0.316SS..  trans-70.3-31.2177.4-76.6-179.8-170.4165.90113.2P85 E86 L87 V88 Q103 A107P85-K105 VanDerWaalsContact O-CD 3.3Å; P85-K105 WeakPolarHBondContact O-CD 3.4Å; P85-K105 WeakPolarHBondContact O-CE 3.48Å; P85-K105 PolarHBondContact O-NZ 3.33Å; E86-K105 WeakPolarHBondContact O-CB 3.33Å; E86-K105 PolarHBondContact O-N 3.12Å; L87-K105 WeakPolarHBondContact O-CE 3.43Å; V88-K105 HydrophobicContact CG2-CD 4.36Å; V88-K105 HydrophobicContact CG2-CG 3.52Å; Q103-K105 PolarHBondContact O-N 2.97Å; K105-A107 PolarHBondContact O-N 3.47Å
106A92.1Very high96Very high67 Ų6748.2 Ų48.255%0.55428%0.283SS*.SBendtrans-57.2128.8-179.900000109.1P104 S108 R112P104-A106 VanDerWaalsContact C-N 3.35Å; A106-S108 PolarHBondContact O-N 2.88Å; A106-R112 PolarHBondContact O-NH2 3.37Å
107A88.9Confident96.1Very high106 Ų10643.5 Ų43.588%0.87625%0.254SS*.  trans-57.4140.1174.300000109.4K105K105-A107 PolarHBondContact O-N 3.47Å
108S90.1Very high96.1Very high51 Ų5143.2 Ų43.236%0.35725%0.252SS..  trans-119.8134.8175.5-173.50000109.3A106 R110A106-S108 PolarHBondContact O-N 2.88Å; S108-R110 WeakPolarHBondContact CB-O 3.43Å; S108-R110 PolarHBondContact OG-N 3.46Å; S108-R110 PolarHBondContact OG-O 2.86Å
109S88.1Confident96.1Very high133 Ų13341 Ų4193%0.9324%0.238SC*.SBendtrans-79.3-6.2171.854.80000113.2
110R92.7Very high96.1Very high158 Ų15841 Ų4160%0.59624%0.238SC*.SBendtrans-136.9153.4179.562.8-179.6179.1-175.8-2112.1S108 R112S108-R110 WeakPolarHBondContact CB-O 3.43Å; S108-R110 PolarHBondContact OG-N 3.46Å; S108-R110 PolarHBondContact OG-O 2.86Å; R110-R112 PolarHBondContact O-N 3.44Å
111P95.3Very high95.9Very high72 Ų7241.2 Ų41.247%0.46824%0.244SC..PPolyproline II helixtrans-54.4140.8169.2-2535000111.8G181 D183P111-G181 CarbonylContact C-O 3.59Å; P111-G181 VanDerWaalsContact CA-O 3.31Å; P111-G181 WeakPolarHBondContact CA-O 3.4Å; P111-D183 HydrophobicContact CB-CB 3.94Å
112R96.8Very high95.6Very high25 Ų2541.8 Ų41.89%0.09425%0.25CS..EExtended strand (participates in β ladder)trans-86167.1-176.1-61.2-169167.2-7210.6111A106 R110 D143 V145 G181 V182 D183A106-R112 PolarHBondContact O-NH2 3.37Å; R110-R112 PolarHBondContact O-N 3.44Å; R112-D143 IonicContact CZ-OD1 3.92Å; R112-D143 VanDerWaalsContact CZ-OD1 3.27Å; R112-D143 IonicContact CZ-OD2 3.67Å; R112-D143 IonicContact NH1-OD1 3.35Å; R112-D143 PolarHBondContact NH1-OD1 2.67Å; R112-D143 IonicContact NH1-OD2 2.99Å; R112-D143 PolarHBondContact NH1-OD2 2.82Å; R112-D143 IonicContact NH2-OD1 2.78Å; R112-D143 PolarHBondContact NH2-OD1 2.98Å; R112-V145 HydrophobicContact CB-CG2 4.23Å; R112-G181 PolarHBondContact N-O 3.15Å; R112-V182 CarbonylContact O-C 3.51Å; R112-V182 WeakPolarHBondContact O-CA 3.36Å; R112-D183 PolarHBondContact O-N 3.43Å
113R97.5Very high95.4Very high35 Ų3541.9 Ų41.913%0.13225%0.251CS..EExtended strand (participates in β ladder)trans-64.6151.5165.7-68.7-179.1-177.887.4-5.8110.1S144 V145 R186 A404 K405 I407R113-S144 VanDerWaalsContact CB-OG 3.29Å; R113-S144 WeakPolarHBondContact CB-OG 3.38Å; R113-S144 CarbonylContact O-C 3.57Å; R113-S144 WeakPolarHBondContact O-CA 3.45Å; R113-S144 WeakPolarHBondContact O-CB 3.46Å; R113-V145 PolarHBondContact O-N 3.15Å; R113-R186 HydrophobicContact CG-CB 4.22Å; R113-A404 WeakPolarHBondContact CD-O 3.33Å; R113-A404 PolarHBondContact NE-O 3.39Å; R113-K405 PolarHBondContact NH2-O 3.17Å; R113-I407 PolarHBondContact NE-OXT 3.34Å; R113-I407 PolarHBondContact NH2-OXT 3.07Å
114G98.4Very high95.1Very high0 Ų039.4 Ų39.40%024%0.239CC..EExtended strand (participates in β ladder)trans-109.9137.817300000110.9V145 R186 V187 V188G114-V145 CarbonylContact C-O 3.54Å; G114-V145 WeakPolarHBondContact CA-O 3.06Å; G114-R186 PolarHBondContact N-O 3.45Å; G114-R186 VanDerWaalsContact N-O 3.12Å; G114-V187 CarbonylContact O-C 3.58Å; G114-V187 WeakPolarHBondContact O-CA 3.48Å; G114-V188 PolarHBondContact O-N 3.49Å
115I98.9Very high95Very high9 Ų939.9 Ų39.95%0.04624%0.239CC..EExtended strand (participates in β ladder)trans-124.7125.5169.1-60.2174.3000108.6V145 L146 L147 V188 C190I115-V145 PolarHBondContact N-O 3.43Å; I115-L146 HydrophobicContact CB-CB 4.14Å; I115-L146 HydrophobicContact CB-CD1 3.98Å; I115-L146 HydrophobicContact CB-CG 3.84Å; I115-L146 HydrophobicContact CD1-CD1 4.27Å; I115-L146 HydrophobicContact CG2-CD1 3.77Å; I115-L146 HydrophobicContact CG2-CG 3.89Å; I115-L146 CarbonylContact O-C 3.6Å; I115-L146 VanDerWaalsContact O-CA 3.28Å; I115-L146 WeakPolarHBondContact O-CA 3.33Å; I115-L147 PolarHBondContact O-N 3.33Å; I115-V188 CarbonylContact C-O 3.51Å; I115-V188 VanDerWaalsContact CA-O 3.31Å; I115-V188 WeakPolarHBondContact CA-O 3.48Å; I115-C190 HydrophobicContact CG2-CB 4.15Å
116I98.9Very high94.9Very high0 Ų034.5 Ų34.50%022%0.217CC..EExtended strand (participates in β ladder)trans-100.9119.4165.4-51.8174.9000107.4Y118 L147 I149 F173 L174 V187 V188 V189 C190I116-Y118 HydrophobicContact CG2-CE1 3.83Å; I116-Y118 HydrophobicContact CG2-CE2 4.26Å; I116-L147 CarbonylContact C-O 3.59Å; I116-L147 WeakPolarHBondContact CA-O 3.13Å; I116-I149 HydrophobicContact CG2-CD1 3.6Å; I116-I149 HydrophobicContact CG2-CG1 4.48Å; I116-F173 HydrophobicContact CD1-CD1 3.9Å; I116-F173 HydrophobicContact CG1-CD1 3.66Å; I116-F173 HydrophobicContact CG1-CE1 4.06Å; I116-L174 HydrophobicContact CD1-CD2 4.39Å; I116-L174 HydrophobicContact CD1-CG 4.24Å; I116-V187 HydrophobicContact CD1-CG1 4.3Å; I116-V187 HydrophobicContact CG1-CG1 4.32Å; I116-V188 PolarHBondContact N-O 3.37Å; I116-V189 HydrophobicContact CB-CG1 4.27Å; I116-V189 HydrophobicContact CD1-CG1 4.37Å; I116-V189 CarbonylContact O-C 3.57Å; I116-V189 WeakPolarHBondContact O-CA 3.48Å; I116-C190 PolarHBondContact O-N 3.46Å
117F98.9Very high94.9Very high0 Ų031.5 Ų31.50%019%0.193CC..EExtended strand (participates in β ladder)trans-110.2123.9-175.4-166.8-86.3000111.8H119 Y131 L134 C135 L138 L146 L147 M148 I149 C190F117-H119 HydrophobicContact CE1-CB 4.14Å; F117-Y131 AromaticContact CE1-CD1 3.44Å; F117-Y131 HydrophobicContact CE1-CD1 3.44Å; F117-Y131 VanDerWaalsContact CE1-CD1 3.44Å; F117-Y131 AromaticContact CE1-CE1 3.91Å; F117-Y131 HydrophobicContact CE1-CE1 3.91Å; F117-Y131 HydrophobicContact CE1-CG 4.27Å; F117-Y131 AromaticContact CZ-CD1 3.86Å; F117-Y131 HydrophobicContact CZ-CD1 3.86Å; F117-Y131 HydrophobicContact CZ-CE1 4.1Å; F117-L134 HydrophobicContact CE2-CD2 4.22Å; F117-L134 HydrophobicContact CZ-CD2 3.77Å; F117-C135 VanDerWaalsContact CD1-SG 3.57Å; F117-L138 HydrophobicContact CD2-CD1 4.17Å; F117-L138 HydrophobicContact CE2-CD1 4.04Å; F117-L146 HydrophobicContact CB-CD2 3.98Å; F117-L146 HydrophobicContact CB-CG 4.38Å; F117-L147 PolarHBondContact N-O 2.9Å; F117-M148 HydrophobicContact CD1-CG 4.28Å; F117-I149 PolarHBondContact O-N 2.79Å; F117-C190 CarbonylContact C-O 3.54Å; F117-C190 VanDerWaalsContact CA-O 3.29Å; F117-C190 WeakPolarHBondContact CA-O 3.34Å; F117-C190 HydrophobicContact CD2-CB 4Å; F117-C190 HydrophobicContact CE2-CB 4.48Å
118Y98.8Very high95.3Very high1 Ų127.7 Ų27.70%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-109.5118.1173.8-44.2-79.2000109.3I116 I149 C166 S170 V189 C190 G191 G195 V198 V199 I202I116-Y118 HydrophobicContact CG2-CE1 3.83Å; I116-Y118 HydrophobicContact CG2-CE2 4.26Å; Y118-I149 HydrophobicContact CD1-CD1 3.83Å; Y118-I149 HydrophobicContact CE1-CD1 3.43Å; Y118-I149 VanDerWaalsContact CE1-CD1 3.43Å; Y118-C166 HydrophobicContact CD1-CB 3.76Å; Y118-C166 HydrophobicContact CE1-CB 3.7Å; Y118-S170 WeakPolarHBondContact CE1-OG 3.47Å; Y118-S170 PolarHBondContact OH-OG 2.81Å; Y118-V189 HydrophobicContact CE2-CB 4.07Å; Y118-V189 HydrophobicContact CE2-CG1 4.33Å; Y118-C190 PolarHBondContact N-O 2.88Å; Y118-G191 WeakPolarHBondContact O-CA 3.45Å; Y118-G195 WeakPolarHBondContact O-CA 3.3Å; Y118-V198 HydrophobicContact CD1-CG1 3.49Å; Y118-V198 VanDerWaalsContact CD1-CG1 3.49Å; Y118-V198 HydrophobicContact CD2-CB 4.39Å; Y118-V198 HydrophobicContact CD2-CG1 3.88Å; Y118-V198 HydrophobicContact CE1-CG1 3.81Å; Y118-V198 HydrophobicContact CE2-CG1 4.16Å; Y118-V198 HydrophobicContact CG-CB 4.11Å; Y118-V198 HydrophobicContact CG-CG1 3.51Å; Y118-V199 HydrophobicContact CD2-CG2 3.6Å; Y118-V199 HydrophobicContact CE2-CG2 3.97Å; Y118-I202 HydrophobicContact CD1-CD1 4.49Å; Y118-I202 HydrophobicContact CE1-CD1 3.62Å; Y118-I202 HydrophobicContact CE2-CD1 4.45Å; Y118-I202 WeakPolarHBondContact OH-CD1 3.33Å
119H98.2Very high95.5Very high0 Ų027 Ų270%015%0.149CC..  trans-77.9149.6-175.37672.3000112.3F117 Y131 I149 Y151 K153F117-H119 HydrophobicContact CE1-CB 4.14Å; H119-Y131 HydrophobicContact CB-CD1 3.93Å; H119-Y131 HydrophobicContact CB-CD2 3.55Å; H119-Y131 HydrophobicContact CB-CE1 3.98Å; H119-Y131 HydrophobicContact CB-CE2 3.6Å; H119-Y131 HydrophobicContact CB-CG 3.71Å; H119-I149 PolarHBondContact CD2-O 3.32Å; H119-Y151 AromaticContact CD2-CE1 3.61Å; H119-Y151 AromaticContact CE1-CE1 3.51Å; H119-Y151 AromaticContact CE1-CE2 3.99Å; H119-Y151 AromaticContact CE1-CZ 3.28Å; H119-Y151 PolarHBondContact CE1-OH 3.21Å; H119-Y151 AromaticContact CG-CE1 3.76Å; H119-Y151 AromaticContact ND1-CE1 3.7Å; H119-Y151 AromaticContact ND1-CZ 3.63Å; H119-Y151 PolarHBondContact ND1-OH 3Å; H119-Y151 AromaticContact NE2-CD1 3.96Å; H119-Y151 AromaticContact NE2-CE1 3.48Å; H119-Y151 WeakPolarHBondContact NE2-CE1 3.43Å; H119-Y151 AromaticContact NE2-CZ 3.68Å; H119-Y151 WeakPolarHBondContact O-CE1 3.24Å; H119-Y151 PolarHBondContact O-OH 3.22Å; H119-K153 PolarHBondContact NE2-NZ 3.15Å
120G97.4Very high95.7Very high0 Ų021.6 Ų21.60%011%0.111CC..  trans-78.1-168.9172.100000113.9Y131 D192G120-Y131 WeakPolarHBondContact CA-OH 3.39Å; G120-Y131 PolarHBondContact N-OH 3Å; G120-Y131 VanDerWaalsContact N-OH 3.12Å; G120-D192 WeakPolarHBondContact CA-O 3.31Å; G120-D192 WeakPolarHBondContact CA-OD1 3.4Å; G120-D192 PolarHBondContact N-O 3.49Å; G120-D192 PolarHBondContact N-OD1 2.84Å
121G95Very high95.9Very high16 Ų1614.2 Ų14.217%0.1658%0.084CC..SBendtrans120.718.5174.100000116.1T123 V124 F125G121-T123 PolarHBondContact O-N 2.92Å; G121-V124 PolarHBondContact O-N 2.87Å; G121-F125 WeakPolarHBondContact O-CB 3.44Å; G121-F125 VanDerWaalsContact O-CD2 3.31Å; G121-F125 WeakPolarHBondContact O-CD2 3.38Å; G121-F125 PolarHBondContact O-N 2.88Å
122G93.1Very high95.9Very high14 Ų1411.1 Ų11.114%0.1446%0.063CC..THydrogen-bonded Turntrans55.426.317300000114.6V124G122-V124 PolarHBondContact O-N 2.8Å; G122-V124 VanDerWaalsContact O-N 3.08Å
123T93.3Very high95.8Very high1 Ų110.6 Ų10.61%0.0067%0.065CC..THydrogen-bonded Turntrans621.6-172.176.50000116.8G121 K153 V154 L162 I194 Y256G121-T123 PolarHBondContact O-N 2.92Å; T123-K153 WeakPolarHBondContact O-CB 3.25Å; T123-K153 VanDerWaalsContact O-CG 3.3Å; T123-K153 WeakPolarHBondContact O-CG 3.3Å; T123-V154 VanDerWaalsContact O-CG2 3.29Å; T123-V154 WeakPolarHBondContact O-CG2 3.44Å; T123-V154 PolarHBondContact O-N 3.19Å; T123-L162 HydrophobicContact CG2-CD1 3.44Å; T123-L162 VanDerWaalsContact CG2-CD1 3.44Å; T123-I194 HydrophobicContact CG2-CD1 3.53Å; T123-Y256 HydrophobicContact CG2-CD2 3.4Å; T123-Y256 HydrophobicContact CG2-CE2 3.9Å; T123-Y256 HydrophobicContact CG2-CG 3.9Å
124V93.2Very high95.8Very high2 Ų29 Ų91%0.0126%0.059CC..THydrogen-bonded Turntrans-101.4-41.5177.31750000110.7M68 P69 G121 G122 V154M68-V124 HydrophobicContact CE-CG1 4.2Å; M68-V124 HydrophobicContact SD-CG1 4.07Å; P69-V124 HydrophobicContact CB-CG1 4.01Å; P69-V124 HydrophobicContact CG-CG1 4.39Å; G121-V124 PolarHBondContact O-N 2.87Å; G122-V124 PolarHBondContact O-N 2.8Å; G122-V124 VanDerWaalsContact O-N 3.08Å; V124-V154 HydrophobicContact CB-CG2 4.48Å; V124-V154 HydrophobicContact CG2-CG2 3.63Å
125F93.6Very high95.7Very high29 Ų299 Ų913%0.1276%0.059CC..SBendtrans-103.3177.8-177-54.4-84.3000111.4F50 I54 I72 H76 G121 F248F50-F125 HydrophobicContact CD2-CE1 4.48Å; F50-F125 AromaticContact CE2-CE1 3.72Å; F50-F125 HydrophobicContact CE2-CE1 3.72Å; F50-F125 HydrophobicContact CE2-CE2 4.26Å; F50-F125 AromaticContact CE2-CZ 3.47Å; F50-F125 HydrophobicContact CE2-CZ 3.47Å; F50-F125 VanDerWaalsContact CE2-CZ 3.47Å; F50-F125 HydrophobicContact CZ-CE2 4.5Å; F50-F125 AromaticContact CZ-CZ 3.86Å; F50-F125 HydrophobicContact CZ-CZ 3.86Å; I54-F125 HydrophobicContact CD1-CE1 3.88Å; I54-F125 HydrophobicContact CD1-CZ 3.55Å; I54-F125 HydrophobicContact CG1-CZ 4.5Å; I72-F125 HydrophobicContact CD1-CE1 4.48Å; I72-F125 HydrophobicContact CG1-CE1 4.34Å; I72-F125 HydrophobicContact CG2-CD1 3.33Å; I72-F125 HydrophobicContact CG2-CE1 3.63Å; I72-F125 HydrophobicContact CG2-CG 4.26Å; H76-F125 AromaticContact CE1-CD1 3.64Å; G121-F125 WeakPolarHBondContact O-CB 3.44Å; G121-F125 VanDerWaalsContact O-CD2 3.31Å; G121-F125 WeakPolarHBondContact O-CD2 3.38Å; G121-F125 PolarHBondContact O-N 2.88Å; F125-F248 AromaticContact CE2-CE1 3.62Å; F125-F248 HydrophobicContact CE2-CE1 3.62Å; F125-F248 AromaticContact CE2-CZ 3.41Å; F125-F248 HydrophobicContact CE2-CZ 3.41Å; F125-F248 VanDerWaalsContact CE2-CZ 3.41Å; F125-F248 HydrophobicContact CZ-CE1 4.09Å; F125-F248 AromaticContact CZ-CZ 3.59Å; F125-F248 HydrophobicContact CZ-CZ 3.59Å
126G92.8Very high95.6Very high5 Ų59.3 Ų9.35%0.0526%0.061CC..  trans81139.8176.300000113.4H76 K153H76-G126 PolarHBondContact ND1-N 3.24Å; G126-K153 WeakPolarHBondContact O-CE 3.27Å
127S93.9Very high95.5Very high5 Ų511.6 Ų11.64%0.0357%0.07CC..  trans-150.6169.7173.6720000109.4D77 D129 C130 Y131D77-S127 WeakPolarHBondContact OD1-CB 3.32Å; D77-S127 PolarHBondContact OD1-OG 3.21Å; S127-D129 PolarHBondContact O-N 2.98Å; S127-D129 PolarHBondContact OG-N 2.81Å; S127-C130 PolarHBondContact O-N 2.86Å; S127-C130 PolarHBondContact OG-N 2.67Å; S127-Y131 PolarHBondContact O-N 3.14Å
128L95.7Very high95.5Very high25 Ų2511.7 Ų11.713%0.1317%0.071CC..THydrogen-bonded Turntrans-57.7-26.8172.3-64177.2000111.8P98 R100 H132 M148P98-L128 HydrophobicContact CB-CD1 4.29Å; R100-L128 HydrophobicContact CB-CD1 4.31Å; R100-L128 HydrophobicContact CB-CD2 4.15Å; R100-L128 VanDerWaalsContact NH1-C 3.35Å; R100-L128 PolarHBondContact NH1-O 3.41Å; L128-H132 WeakPolarHBondContact O-CB 3.45Å; L128-H132 PolarHBondContact O-N 2.97Å; L128-M148 HydrophobicContact CB-CE 3.91Å; L128-M148 HydrophobicContact CD2-CB 4.23Å; L128-M148 HydrophobicContact CD2-CE 3.69Å; L128-M148 HydrophobicContact CD2-CG 3.69Å; L128-M148 HydrophobicContact CD2-SD 4.1Å; L128-M148 HydrophobicContact CG-CE 4.43Å; L128-M148 WeakPolarHBondContact O-CE 3.32Å
129D94.7Very high95.5Very high36 Ų3611.7 Ų11.719%0.1937%0.071CC..THydrogen-bonded Turntrans-84.2-39.9-178.9-65.6-25.4000112.2I81 R100 S127 Y131 H132I81-D129 HydrophobicContact CG2-CB 3.79Å; I81-D129 WeakPolarHBondContact CG2-OD1 3.45Å; R100-D129 IonicContact CZ-OD1 2.92Å; R100-D129 VanDerWaalsContact CZ-OD1 3.25Å; R100-D129 IonicContact NH1-OD1 2.71Å; R100-D129 PolarHBondContact NH1-OD1 3.45Å; R100-D129 IonicContact NH2-OD1 2.7Å; R100-D129 PolarHBondContact NH2-OD1 3.27Å; S127-D129 PolarHBondContact O-N 2.98Å; S127-D129 PolarHBondContact OG-N 2.81Å; D129-Y131 VanDerWaalsContact C-N 3.3Å; D129-Y131 PolarHBondContact O-N 3.04Å; D129-H132 VanDerWaalsContact O-CB 3.29Å; D129-H132 WeakPolarHBondContact O-CB 3.47Å; D129-H132 PolarHBondContact O-N 3.33Å
130C92.7Very high95.4Very high20 Ų2015.5 Ų15.514%0.1359%0.085CC..THydrogen-bonded Turntrans-59.7-41.5175-68.60000112.7H76 S127H76-C130 WeakPolarHBondContact CB-SG 3.31Å; S127-C130 PolarHBondContact O-N 2.86Å; S127-C130 PolarHBondContact OG-N 2.67Å
131Y95.9Very high95.4Very high4 Ų418.1 Ų18.12%0.01610%0.097CC..THydrogen-bonded Turntrans-90.6-1.6-178-78.6-98.3000113.5F117 H119 G120 S127 D129 G133 L134 C135 M148 D192 L381F117-Y131 AromaticContact CE1-CD1 3.44Å; F117-Y131 HydrophobicContact CE1-CD1 3.44Å; F117-Y131 VanDerWaalsContact CE1-CD1 3.44Å; F117-Y131 AromaticContact CE1-CE1 3.91Å; F117-Y131 HydrophobicContact CE1-CE1 3.91Å; F117-Y131 HydrophobicContact CE1-CG 4.27Å; F117-Y131 AromaticContact CZ-CD1 3.86Å; F117-Y131 HydrophobicContact CZ-CD1 3.86Å; F117-Y131 HydrophobicContact CZ-CE1 4.1Å; H119-Y131 HydrophobicContact CB-CD1 3.93Å; H119-Y131 HydrophobicContact CB-CD2 3.55Å; H119-Y131 HydrophobicContact CB-CE1 3.98Å; H119-Y131 HydrophobicContact CB-CE2 3.6Å; H119-Y131 HydrophobicContact CB-CG 3.71Å; G120-Y131 WeakPolarHBondContact CA-OH 3.39Å; G120-Y131 PolarHBondContact N-OH 3Å; G120-Y131 VanDerWaalsContact N-OH 3.12Å; S127-Y131 PolarHBondContact O-N 3.14Å; D129-Y131 VanDerWaalsContact C-N 3.3Å; D129-Y131 PolarHBondContact O-N 3.04Å; Y131-G133 VanDerWaalsContact C-N 3.34Å; Y131-G133 PolarHBondContact O-N 3.15Å; Y131-L134 HydrophobicContact CD1-CD2 4.04Å; Y131-L134 HydrophobicContact CE1-CD2 4.34Å; Y131-L134 PolarHBondContact O-N 2.84Å; Y131-C135 WeakPolarHBondContact O-CB 3.31Å; Y131-C135 PolarHBondContact O-N 3.16Å; Y131-M148 WeakPolarHBondContact CB-SD 3.16Å; Y131-D192 WeakPolarHBondContact CE1-OD1 3.34Å; Y131-D192 PolarHBondContact OH-OD1 3.44Å; Y131-D192 VanDerWaalsContact OH-OD1 3.04Å; Y131-D192 PolarHBondContact OH-OD2 3.24Å; Y131-L381 HydrophobicContact CD1-CD2 4.01Å; Y131-L381 HydrophobicContact CD2-CD2 4.14Å; Y131-L381 HydrophobicContact CE1-CD2 3.65Å; Y131-L381 HydrophobicContact CE2-CD1 4.49Å; Y131-L381 HydrophobicContact CE2-CD2 3.79Å; Y131-L381 HydrophobicContact CG-CD2 4.25Å
132H96Very high95.6Very high6 Ų617.4 Ų17.43%0.0289%0.09CC..Hα-helixtrans-53.3-49.6-179.3-177.3103.7000112I81 K82 R100 F102 L128 D129 L134 C135 N136I81-H132 HydrophobicContact CB-CB 4.45Å; I81-H132 HydrophobicContact CG2-CB 3.82Å; K82-H132 PolarHBondContact O-NE2 3.14Å; K82-H132 VanDerWaalsContact O-NE2 3.08Å; R100-H132 PolarHBondContact NH1-ND1 3.38Å; F102-H132 AromaticContact CE1-CE1 3.95Å; F102-H132 AromaticContact CE1-ND1 3.95Å; L128-H132 WeakPolarHBondContact O-CB 3.45Å; L128-H132 PolarHBondContact O-N 2.97Å; D129-H132 VanDerWaalsContact O-CB 3.29Å; D129-H132 WeakPolarHBondContact O-CB 3.47Å; D129-H132 PolarHBondContact O-N 3.33Å; H132-L134 PolarHBondContact O-N 2.84Å; H132-C135 PolarHBondContact O-N 3.32Å; H132-N136 WeakPolarHBondContact O-CB 3.28Å; H132-N136 PolarHBondContact O-N 2.89Å
133G95.4Very high95.7Very high14 Ų1420 Ų2014%0.14410%0.1CC..Hα-helixtrans-60-44.8-178.800000112.5Y131 Y137 F383Y131-G133 VanDerWaalsContact C-N 3.34Å; Y131-G133 PolarHBondContact O-N 3.15Å; G133-Y137 WeakPolarHBondContact O-CB 3.49Å; G133-Y137 PolarHBondContact O-N 3.03Å; G133-F383 WeakPolarHBondContact O-CZ 3.29Å
134L96.3Very high96Very high2 Ų220 Ų201%0.0110%0.1CC..Hα-helixtrans-63.8-51.2178.8178.560.9000111.5F117 Y131 H132 N136 Y137 L138 I380 F383 V397F117-L134 HydrophobicContact CE2-CD2 4.22Å; F117-L134 HydrophobicContact CZ-CD2 3.77Å; Y131-L134 HydrophobicContact CD1-CD2 4.04Å; Y131-L134 HydrophobicContact CE1-CD2 4.34Å; Y131-L134 PolarHBondContact O-N 2.84Å; H132-L134 PolarHBondContact O-N 2.84Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 3.46Å; L134-Y137 PolarHBondContact O-N 3.16Å; L134-L138 HydrophobicContact CD1-CD1 4.14Å; L134-L138 HydrophobicContact CD1-CG 4.15Å; L134-L138 HydrophobicContact CG-CD1 4.08Å; L134-L138 HydrophobicContact CG-CG 4.46Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 3.09Å; L134-I380 HydrophobicContact CD1-CD1 4.09Å; L134-I380 HydrophobicContact CD1-CG1 4.12Å; L134-I380 HydrophobicContact CD2-CD1 3.75Å; L134-I380 HydrophobicContact CD2-CG1 3.99Å; L134-I380 HydrophobicContact CD2-CG2 4.21Å; L134-F383 VanDerWaalsContact CA-CZ 3.45Å; L134-F383 HydrophobicContact CB-CD1 4.39Å; L134-F383 HydrophobicContact CB-CE1 3.63Å; L134-F383 HydrophobicContact CB-CZ 4.23Å; L134-F383 HydrophobicContact CD1-CD1 4.1Å; L134-F383 HydrophobicContact CD1-CE1 3.88Å; L134-F383 HydrophobicContact CD1-CZ 4.26Å; L134-F383 HydrophobicContact CG-CE1 4.37Å; L134-V397 HydrophobicContact CD1-CG1 4.26Å; L134-V397 HydrophobicContact CD1-CG2 3.6Å
135C97.8Very high96.2Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-64.2-39-179.3-71.60000112.1F102 F117 Y131 H132 L138 A139 L146 M148F102-C135 HydrophobicContact CD2-CB 4.14Å; F102-C135 HydrophobicContact CE1-CB 4.2Å; F102-C135 HydrophobicContact CE2-CB 3.6Å; F102-C135 HydrophobicContact CZ-CB 3.64Å; F117-C135 VanDerWaalsContact CD1-SG 3.57Å; Y131-C135 WeakPolarHBondContact O-CB 3.31Å; Y131-C135 PolarHBondContact O-N 3.16Å; H132-C135 PolarHBondContact O-N 3.32Å; C135-L138 PolarHBondContact O-N 3.18Å; C135-A139 VanDerWaalsContact O-CB 3.25Å; C135-A139 WeakPolarHBondContact O-CB 3.38Å; C135-A139 PolarHBondContact O-N 3.28Å; C135-L146 HydrophobicContact CB-CD1 4.23Å; C135-L146 HydrophobicContact CB-CD2 3.7Å; C135-M148 HydrophobicContact CB-SD 4.38Å; C135-M148 PolarHBondContact SG-SD 3.06Å
136N96.9Very high96.5Very high16 Ų1618.6 Ų18.69%0.0869%0.094CC..Hα-helixtrans-58.9-50.9172.7177.522.6000111.3D84 L87 F102 H132 L134 L138 A139 R140D84-N136 WeakPolarHBondContact CB-ND2 3.46Å; D84-N136 VanDerWaalsContact CB-OD1 3.23Å; D84-N136 WeakPolarHBondContact CB-OD1 3.41Å; D84-N136 PolarHBondContact OD2-ND2 3.34Å; D84-N136 PolarHBondContact OD2-OD1 2.59Å; L87-N136 HydrophobicContact CD1-CB 4.47Å; L87-N136 WeakPolarHBondContact CD1-OD1 3.33Å; F102-N136 HydrophobicContact CD1-CB 4.14Å; F102-N136 HydrophobicContact CE1-CB 4Å; H132-N136 WeakPolarHBondContact O-CB 3.28Å; H132-N136 PolarHBondContact O-N 2.89Å; L134-N136 VanDerWaalsContact C-N 3.32Å; L134-N136 PolarHBondContact O-N 3.46Å; N136-L138 PolarHBondContact O-N 3.16Å; N136-A139 PolarHBondContact O-N 2.96Å; N136-R140 WeakPolarHBondContact O-CB 3.26Å; N136-R140 PolarHBondContact O-N 2.86Å
137Y96.9Very high96.8Very high48 Ų4818.3 Ų18.319%0.1889%0.092CC..Hα-helixtrans-59.6-47.4177.2-174.8-89000112G133 L134 A139 R140 E141 F383 V397 N398 V401G133-Y137 WeakPolarHBondContact O-CB 3.49Å; G133-Y137 PolarHBondContact O-N 3.03Å; L134-Y137 PolarHBondContact O-N 3.16Å; Y137-A139 PolarHBondContact O-N 3.06Å; Y137-R140 PolarHBondContact O-N 3.27Å; Y137-E141 HydrophobicContact CD1-CG 3.82Å; Y137-E141 HydrophobicContact CD2-CG 4.08Å; Y137-E141 HydrophobicContact CE1-CB 4.31Å; Y137-E141 HydrophobicContact CE1-CG 3.47Å; Y137-E141 VanDerWaalsContact CE1-CG 3.47Å; Y137-E141 HydrophobicContact CE2-CG 3.75Å; Y137-E141 HydrophobicContact CG-CG 4.13Å; Y137-E141 VanDerWaalsContact CZ-CG 3.44Å; Y137-E141 WeakPolarHBondContact O-CB 3.37Å; Y137-E141 VanDerWaalsContact O-CG 3.3Å; Y137-E141 WeakPolarHBondContact O-CG 3.42Å; Y137-E141 PolarHBondContact O-N 3.49Å; Y137-F383 HydrophobicContact CD1-CE2 4.15Å; Y137-F383 AromaticContact CD2-CE2 4Å; Y137-F383 HydrophobicContact CD2-CE2 4Å; Y137-F383 AromaticContact CG-CE2 3.68Å; Y137-F383 HydrophobicContact CG-CE2 3.68Å; Y137-F383 HydrophobicContact CG-CZ 4.28Å; Y137-V397 HydrophobicContact CD1-CG1 3.29Å; Y137-V397 HydrophobicContact CE1-CG1 3.3Å; Y137-V397 HydrophobicContact CG-CG1 4.41Å; Y137-N398 PolarHBondContact OH-OD1 3.13Å; Y137-V401 HydrophobicContact CD1-CG2 4.46Å; Y137-V401 HydrophobicContact CE1-CG2 4.05Å
138L98.1Very high97Very high2 Ų218.1 Ų18.11%0.019%0.09CC..Hα-helixtrans-60.4-47.4178.4-69.9176.8000111.8F117 L134 C135 N136 R140 T142 L146 V397 I400 V401F117-L138 HydrophobicContact CD2-CD1 4.17Å; F117-L138 HydrophobicContact CE2-CD1 4.04Å; L134-L138 HydrophobicContact CD1-CD1 4.14Å; L134-L138 HydrophobicContact CD1-CG 4.15Å; L134-L138 HydrophobicContact CG-CD1 4.08Å; L134-L138 HydrophobicContact CG-CG 4.46Å; L134-L138 WeakPolarHBondContact O-CG 3.38Å; L134-L138 PolarHBondContact O-N 3.09Å; C135-L138 PolarHBondContact O-N 3.18Å; N136-L138 PolarHBondContact O-N 3.16Å; L138-R140 PolarHBondContact O-N 3.5Å; L138-T142 VanDerWaalsContact O-CB 3.32Å; L138-T142 WeakPolarHBondContact O-CB 3.42Å; L138-T142 WeakPolarHBondContact O-CG2 3.19Å; L138-T142 PolarHBondContact O-N 2.82Å; L138-T142 PolarHBondContact O-OG1 2.82Å; L138-L146 HydrophobicContact CB-CD1 3.93Å; L138-V397 HydrophobicContact CD2-CG1 4.13Å; L138-I400 HydrophobicContact CD2-CB 4.44Å; L138-I400 HydrophobicContact CD2-CG2 3.89Å; L138-V401 HydrophobicContact CD2-CG2 3.91Å
139A98.2Very high97.1Very high0 Ų016.9 Ų16.90%08%0.084CC..Hα-helixtrans-60.1-46.9179.700000111.8L87 F102 C135 N136 Y137 D143 S144 L146L87-A139 HydrophobicContact CD1-CB 3.78Å; F102-A139 HydrophobicContact CB-CB 3.78Å; C135-A139 VanDerWaalsContact O-CB 3.25Å; C135-A139 WeakPolarHBondContact O-CB 3.38Å; C135-A139 PolarHBondContact O-N 3.28Å; N136-A139 PolarHBondContact O-N 2.96Å; Y137-A139 PolarHBondContact O-N 3.06Å; A139-D143 WeakPolarHBondContact O-CA 3.27Å; A139-D143 PolarHBondContact O-N 3.05Å; A139-D143 VanDerWaalsContact O-N 3.09Å; A139-S144 PolarHBondContact O-N 3.41Å; A139-L146 HydrophobicContact CB-CB 3.9Å; A139-L146 HydrophobicContact CB-CD1 4.49Å
140R97.2Very high97.3Very high80 Ų8015.6 Ų15.630%0.3028%0.079SC..Hα-helixtrans-64.4-56.6177.9-176.7-172.868.7-156.21.3111.7D84 E86 L87 N136 Y137 L138 T142 D143D84-R140 IonicContact OD2-NH1 2.98Å; D84-R140 PolarHBondContact OD2-NH1 2.86Å; E86-R140 WeakPolarHBondContact OE2-CD 3.26Å; E86-R140 VanDerWaalsContact OE2-CG 3.3Å; E86-R140 WeakPolarHBondContact OE2-CG 3.38Å; L87-R140 HydrophobicContact CD1-CB 4.49Å; L87-R140 HydrophobicContact CD2-CB 4.29Å; N136-R140 WeakPolarHBondContact O-CB 3.26Å; N136-R140 PolarHBondContact O-N 2.86Å; Y137-R140 PolarHBondContact O-N 3.27Å; L138-R140 PolarHBondContact O-N 3.5Å; R140-T142 VanDerWaalsContact C-N 3.26Å; R140-T142 PolarHBondContact O-N 2.98Å; R140-D143 PolarHBondContact O-N 3.28Å; R140-D143 VanDerWaalsContact O-N 3.13Å
141E97.6Very high97.5Very high56 Ų5614.8 Ų14.826%0.2627%0.073SC..Hα-helixtrans-65.3-32.8-172-67.3-51.8134.300112Y137 V401 K405Y137-E141 HydrophobicContact CD1-CG 3.82Å; Y137-E141 HydrophobicContact CD2-CG 4.08Å; Y137-E141 HydrophobicContact CE1-CB 4.31Å; Y137-E141 HydrophobicContact CE1-CG 3.47Å; Y137-E141 VanDerWaalsContact CE1-CG 3.47Å; Y137-E141 HydrophobicContact CE2-CG 3.75Å; Y137-E141 HydrophobicContact CG-CG 4.13Å; Y137-E141 VanDerWaalsContact CZ-CG 3.44Å; Y137-E141 WeakPolarHBondContact O-CB 3.37Å; Y137-E141 VanDerWaalsContact O-CG 3.3Å; Y137-E141 WeakPolarHBondContact O-CG 3.42Å; Y137-E141 PolarHBondContact O-N 3.49Å; E141-V401 HydrophobicContact CB-CG1 3.8Å; E141-V401 HydrophobicContact CB-CG2 3.86Å; E141-K405 WeakPolarHBondContact O-CE 3.43Å; E141-K405 PolarHBondContact O-NZ 3.06Å
142T97.4Very high97.6Very high1 Ų118.6 Ų18.61%0.0069%0.087CC..Hα-helixtrans-90.5-4.1179.265.30000114L138 R140 S144 V401 A404L138-T142 VanDerWaalsContact O-CB 3.32Å; L138-T142 WeakPolarHBondContact O-CB 3.42Å; L138-T142 WeakPolarHBondContact O-CG2 3.19Å; L138-T142 PolarHBondContact O-N 2.82Å; L138-T142 PolarHBondContact O-OG1 2.82Å; R140-T142 VanDerWaalsContact C-N 3.26Å; R140-T142 PolarHBondContact O-N 2.98Å; T142-S144 VanDerWaalsContact C-N 3.27Å; T142-S144 WeakPolarHBondContact CB-OG 3.43Å; T142-S144 PolarHBondContact O-N 2.88Å; T142-S144 PolarHBondContact O-OG 3.4Å; T142-S144 VanDerWaalsContact OG1-CB 3.26Å; T142-S144 WeakPolarHBondContact OG1-CB 3.33Å; T142-S144 PolarHBondContact OG1-OG 2.93Å; T142-V401 HydrophobicContact CG2-CB 4.34Å; T142-V401 HydrophobicContact CG2-CG1 4.23Å; T142-V401 HydrophobicContact CG2-CG2 4.15Å; T142-A404 HydrophobicContact CG2-CB 3.78Å
143D96.8Very high97.6Very high67 Ų6719.2 Ų19.236%0.3589%0.09SC..THydrogen-bonded Turntrans55.843-175.7-164.939000112.3R112 A139 R140R112-D143 IonicContact CZ-OD1 3.92Å; R112-D143 VanDerWaalsContact CZ-OD1 3.27Å; R112-D143 IonicContact CZ-OD2 3.67Å; R112-D143 IonicContact NH1-OD1 3.35Å; R112-D143 PolarHBondContact NH1-OD1 2.67Å; R112-D143 IonicContact NH1-OD2 2.99Å; R112-D143 PolarHBondContact NH1-OD2 2.82Å; R112-D143 IonicContact NH2-OD1 2.78Å; R112-D143 PolarHBondContact NH2-OD1 2.98Å; A139-D143 WeakPolarHBondContact O-CA 3.27Å; A139-D143 PolarHBondContact O-N 3.05Å; A139-D143 VanDerWaalsContact O-N 3.09Å; R140-D143 PolarHBondContact O-N 3.28Å; R140-D143 VanDerWaalsContact O-N 3.13Å
144S98.1Very high97.6Very high1 Ų118.7 Ų18.71%0.0078%0.084CC..EExtended strand (participates in β ladder)trans-113.3149.4-171.6-56.60000112.4P104 R113 A139 T142P104-S144 WeakPolarHBondContact CD-O 3.3Å; R113-S144 VanDerWaalsContact CB-OG 3.29Å; R113-S144 WeakPolarHBondContact CB-OG 3.38Å; R113-S144 CarbonylContact O-C 3.57Å; R113-S144 WeakPolarHBondContact O-CA 3.45Å; R113-S144 WeakPolarHBondContact O-CB 3.46Å; A139-S144 PolarHBondContact O-N 3.41Å; T142-S144 VanDerWaalsContact C-N 3.27Å; T142-S144 WeakPolarHBondContact CB-OG 3.43Å; T142-S144 PolarHBondContact O-N 2.88Å; T142-S144 PolarHBondContact O-OG 3.4Å; T142-S144 VanDerWaalsContact OG1-CB 3.26Å; T142-S144 WeakPolarHBondContact OG1-CB 3.33Å; T142-S144 PolarHBondContact OG1-OG 2.93Å
145V98.6Very high97.5Very high2 Ų220.6 Ų20.61%0.01210%0.097CC..EExtended strand (participates in β ladder)trans-79.2122159.1176.10000107.8L101 F102 Q103 R112 R113 G114 I115 F173 V182L101-V145 HydrophobicContact CD1-CG1 3.7Å; L101-V145 HydrophobicContact CG-CG1 4.32Å; F102-V145 WeakPolarHBondContact O-CA 3.34Å; Q103-V145 HydrophobicContact CG-CG1 3.97Å; Q103-V145 HydrophobicContact CG-CG2 4.23Å; R112-V145 HydrophobicContact CB-CG2 4.23Å; R113-V145 PolarHBondContact O-N 3.15Å; G114-V145 CarbonylContact C-O 3.54Å; G114-V145 WeakPolarHBondContact CA-O 3.06Å; I115-V145 PolarHBondContact N-O 3.43Å; V145-F173 HydrophobicContact CG1-CE2 4.42Å; V145-F173 HydrophobicContact CG1-CZ 4.12Å; V145-V182 HydrophobicContact CB-CG2 3.53Å; V145-V182 HydrophobicContact CG1-CG2 3.9Å; V145-V182 HydrophobicContact CG2-CG2 3.82Å
146L98.8Very high97.4Very high0 Ų024 Ų240%012%0.115CC..EExtended strand (participates in β ladder)trans-116.5126-177.9-173.6157.1000110.6L101 F102 I115 F117 C135 L138 A139 M148L101-L146 CarbonylContact C-O 3.53Å; L101-L146 WeakPolarHBondContact CA-O 3.32Å; F102-L146 HydrophobicContact CB-CB 4.29Å; F102-L146 HydrophobicContact CD2-CD2 3.73Å; F102-L146 HydrophobicContact CE2-CD2 4.11Å; F102-L146 PolarHBondContact N-O 3.03Å; F102-L146 PolarHBondContact O-N 3.23Å; I115-L146 HydrophobicContact CB-CB 4.14Å; I115-L146 HydrophobicContact CB-CD1 3.98Å; I115-L146 HydrophobicContact CB-CG 3.84Å; I115-L146 HydrophobicContact CD1-CD1 4.27Å; I115-L146 HydrophobicContact CG2-CD1 3.77Å; I115-L146 HydrophobicContact CG2-CG 3.89Å; I115-L146 CarbonylContact O-C 3.6Å; I115-L146 VanDerWaalsContact O-CA 3.28Å; I115-L146 WeakPolarHBondContact O-CA 3.33Å; F117-L146 HydrophobicContact CB-CD2 3.98Å; F117-L146 HydrophobicContact CB-CG 4.38Å; C135-L146 HydrophobicContact CB-CD1 4.23Å; C135-L146 HydrophobicContact CB-CD2 3.7Å; L138-L146 HydrophobicContact CB-CD1 3.93Å; A139-L146 HydrophobicContact CB-CB 3.9Å; A139-L146 HydrophobicContact CB-CD1 4.49Å; L146-M148 HydrophobicContact CD2-CB 4.11Å
147L98.9Very high97.4Very high0 Ų026.6 Ų26.60%013%0.126CC..EExtended strand (participates in β ladder)trans-101.9116.4170.1-177.777.6000109.7F94 V99 L101 I115 I116 F117 I149 F173F94-L147 HydrophobicContact CD2-CD2 4.45Å; F94-L147 HydrophobicContact CE2-CD1 3.89Å; F94-L147 HydrophobicContact CE2-CD2 3.71Å; F94-L147 HydrophobicContact CE2-CG 4.48Å; F94-L147 HydrophobicContact CZ-CD1 4.05Å; V99-L147 HydrophobicContact CB-CD1 3.72Å; V99-L147 HydrophobicContact CB-CG 4.46Å; V99-L147 HydrophobicContact CG1-CD1 4.35Å; V99-L147 HydrophobicContact CG2-CD1 3.76Å; L101-L147 HydrophobicContact CD1-CB 4.28Å; L101-L147 HydrophobicContact CD1-CD1 4.06Å; I115-L147 PolarHBondContact O-N 3.33Å; I116-L147 CarbonylContact C-O 3.59Å; I116-L147 WeakPolarHBondContact CA-O 3.13Å; F117-L147 PolarHBondContact N-O 2.9Å; L147-I149 HydrophobicContact CD2-CD1 4.45Å; L147-I149 HydrophobicContact CD2-CG1 4.2Å; L147-I149 HydrophobicContact CG-CG1 4.4Å; L147-F173 HydrophobicContact CB-CD1 4.36Å; L147-F173 HydrophobicContact CB-CD2 4.15Å; L147-F173 HydrophobicContact CB-CE1 4.33Å; L147-F173 HydrophobicContact CB-CE2 4.13Å; L147-F173 HydrophobicContact CB-CG 4.26Å; L147-F173 HydrophobicContact CB-CZ 4.22Å; L147-F173 HydrophobicContact CD1-CD2 4.45Å; L147-F173 HydrophobicContact CD2-CB 3.57Å; L147-F173 HydrophobicContact CD2-CD1 4.25Å; L147-F173 HydrophobicContact CD2-CD2 3.89Å; L147-F173 HydrophobicContact CD2-CG 3.64Å; L147-F173 HydrophobicContact CG-CD2 4.41Å
148M98.7Very high97.4Very high0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans-99.9131.2170.6-178.1173.347.900110V99 R100 F102 F117 L128 Y131 C135 L146V99-M148 CarbonylContact C-O 3.27Å; V99-M148 WeakPolarHBondContact CA-O 3.46Å; R100-M148 HydrophobicContact CB-CE 4.11Å; R100-M148 HydrophobicContact CG-CE 4.46Å; R100-M148 PolarHBondContact N-O 2.92Å; R100-M148 PolarHBondContact O-N 3.02Å; F102-M148 HydrophobicContact CE2-CB 4.12Å; F102-M148 HydrophobicContact CE2-CE 3.84Å; F102-M148 HydrophobicContact CZ-CE 3.85Å; F117-M148 HydrophobicContact CD1-CG 4.28Å; L128-M148 HydrophobicContact CB-CE 3.91Å; L128-M148 HydrophobicContact CD2-CB 4.23Å; L128-M148 HydrophobicContact CD2-CE 3.69Å; L128-M148 HydrophobicContact CD2-CG 3.69Å; L128-M148 HydrophobicContact CD2-SD 4.1Å; L128-M148 HydrophobicContact CG-CE 4.43Å; L128-M148 WeakPolarHBondContact O-CE 3.32Å; Y131-M148 WeakPolarHBondContact CB-SD 3.16Å; C135-M148 HydrophobicContact CB-SD 4.38Å; C135-M148 PolarHBondContact SG-SD 3.06Å; L146-M148 HydrophobicContact CD2-CB 4.11Å
149I98.8Very high97.3Very high0 Ų029.2 Ų29.20%014%0.143CC..EExtended strand (participates in β ladder)trans-100.2124-175.2-63.3163.2000110.7I97 V99 I116 F117 Y118 H119 L147 Y151 A169I97-I149 HydrophobicContact CG2-CG2 3.97Å; V99-I149 HydrophobicContact CG1-CG1 4.32Å; I116-I149 HydrophobicContact CG2-CD1 3.6Å; I116-I149 HydrophobicContact CG2-CG1 4.48Å; F117-I149 PolarHBondContact O-N 2.79Å; Y118-I149 HydrophobicContact CD1-CD1 3.83Å; Y118-I149 HydrophobicContact CE1-CD1 3.43Å; Y118-I149 VanDerWaalsContact CE1-CD1 3.43Å; H119-I149 PolarHBondContact CD2-O 3.32Å; L147-I149 HydrophobicContact CD2-CD1 4.45Å; L147-I149 HydrophobicContact CD2-CG1 4.2Å; L147-I149 HydrophobicContact CG-CG1 4.4Å; I149-Y151 PolarHBondContact O-N 3.09Å; I149-A169 HydrophobicContact CD1-CB 3.72Å; I149-A169 HydrophobicContact CG1-CB 3.82Å; I149-A169 HydrophobicContact CG2-CB 4.04Å
150G97.8Very high97.2Very high9 Ų931.5 Ų31.59%0.09316%0.158CC..  trans-92.961.6178.900000112P98P98-G150 WeakPolarHBondContact CD-O 3.16Å; P98-G150 VanDerWaalsContact CG-O 3.25Å; P98-G150 WeakPolarHBondContact CG-O 3.37Å; P98-G150 VanDerWaalsContact O-CA 3.29Å; P98-G150 WeakPolarHBondContact O-CA 2.66Å; P98-G150 PolarHBondContact O-N 3.09Å
151Y97.9Very high97.2Very high3 Ų328.1 Ų28.11%0.01215%0.147CC..  trans-60.7154.1-174.961.3-99.5000113.6H119 I149 K153 L162H119-Y151 AromaticContact CD2-CE1 3.61Å; H119-Y151 AromaticContact CE1-CE1 3.51Å; H119-Y151 AromaticContact CE1-CE2 3.99Å; H119-Y151 AromaticContact CE1-CZ 3.28Å; H119-Y151 PolarHBondContact CE1-OH 3.21Å; H119-Y151 AromaticContact CG-CE1 3.76Å; H119-Y151 AromaticContact ND1-CE1 3.7Å; H119-Y151 AromaticContact ND1-CZ 3.63Å; H119-Y151 PolarHBondContact ND1-OH 3Å; H119-Y151 AromaticContact NE2-CD1 3.96Å; H119-Y151 AromaticContact NE2-CE1 3.48Å; H119-Y151 WeakPolarHBondContact NE2-CE1 3.43Å; H119-Y151 AromaticContact NE2-CZ 3.68Å; H119-Y151 WeakPolarHBondContact O-CE1 3.24Å; H119-Y151 PolarHBondContact O-OH 3.22Å; I149-Y151 PolarHBondContact O-N 3.09Å; Y151-K153 HydrophobicContact CD2-CG 3.97Å; Y151-K153 HydrophobicContact CE2-CD 4.07Å; Y151-K153 HydrophobicContact CE2-CG 3.65Å; Y151-K153 PolarHBondContact O-NZ 2.9Å; Y151-L162 HydrophobicContact CD2-CB 4.06Å; Y151-L162 HydrophobicContact CD2-CD1 3.73Å; Y151-L162 HydrophobicContact CD2-CG 3.7Å; Y151-L162 HydrophobicContact CE2-CD1 3.38Å; Y151-L162 HydrophobicContact CE2-CG 3.9Å; Y151-L162 HydrophobicContact CG-CD1 4.48Å; Y151-L162 HydrophobicContact CG-CG 4.11Å
152R97.3Very high97.2Very high84 Ų8425.8 Ų25.832%0.31714%0.136SC..  trans-65.2146.3176.5-77.3176.5-67.4158.91.6112.7H157 A161 D165R152-H157 HydrophobicContact CB-CB 3.81Å; R152-H157 VanDerWaalsContact CB-CD2 3.49Å; R152-H157 WeakPolarHBondContact CB-CD2 3.49Å; R152-H157 WeakPolarHBondContact CD-NE2 3.28Å; R152-A161 HydrophobicContact CB-CB 4.44Å; R152-D165 WeakPolarHBondContact CB-OD2 3.44Å; R152-D165 WeakPolarHBondContact CG-OD2 3.45Å; R152-D165 IonicContact CZ-OD1 3.24Å; R152-D165 VanDerWaalsContact CZ-OD1 3.26Å; R152-D165 IonicContact CZ-OD2 2.73Å; R152-D165 PolarHBondContact N-OD2 3.3Å; R152-D165 VanDerWaalsContact NE-CG 3.33Å; R152-D165 IonicContact NE-OD1 3.73Å; R152-D165 PolarHBondContact NE-OD1 3.19Å; R152-D165 IonicContact NE-OD2 3.85Å; R152-D165 PolarHBondContact NE-OD2 3.14Å; R152-D165 IonicContact NH2-OD1 3.49Å; R152-D165 PolarHBondContact NH2-OD1 2.88Å; R152-D165 IonicContact NH2-OD2 3.27Å
153K96.1Very high97.2Very high19 Ų1927.2 Ų27.28%0.08314%0.142CC..  trans-137.6161.3-166.6-82.6-177.4-74.2-71.70112.4H119 T123 G126 Y151 D156 H157H119-K153 PolarHBondContact NE2-NZ 3.15Å; T123-K153 WeakPolarHBondContact O-CB 3.25Å; T123-K153 VanDerWaalsContact O-CG 3.3Å; T123-K153 WeakPolarHBondContact O-CG 3.3Å; G126-K153 WeakPolarHBondContact O-CE 3.27Å; Y151-K153 HydrophobicContact CD2-CG 3.97Å; Y151-K153 HydrophobicContact CE2-CD 4.07Å; Y151-K153 HydrophobicContact CE2-CG 3.65Å; Y151-K153 PolarHBondContact O-NZ 2.9Å; K153-D156 PolarHBondContact O-N 2.97Å; K153-H157 CarbonylContact C-O 3.59Å; K153-H157 PolarHBondContact O-N 2.96Å
154V95.9Very high97.3Very high2 Ų228.4 Ų28.41%0.01215%0.146CC..THydrogen-bonded Turntrans-63.4149.7174.1-58.90000110.9P69 R73 T123 V124 H157 N255P69-V154 HydrophobicContact CB-CG2 4.2Å; P69-V154 WeakPolarHBondContact CB-O 3.47Å; P69-V154 HydrophobicContact CG-CG2 4.19Å; R73-V154 PolarHBondContact NH2-O 3.25Å; T123-V154 VanDerWaalsContact O-CG2 3.29Å; T123-V154 WeakPolarHBondContact O-CG2 3.44Å; T123-V154 PolarHBondContact O-N 3.19Å; V124-V154 HydrophobicContact CB-CG2 4.48Å; V124-V154 HydrophobicContact CG2-CG2 3.63Å; V154-H157 PolarHBondContact N-O 3.48Å; V154-N255 WeakPolarHBondContact CG1-O 3.28Å
155P94.3Very high97.3Very high43 Ų4328.5 Ų28.528%0.27915%0.146SC..THydrogen-bonded Turncis-89.1-7.17.339.5-37.5000113.9K70 H157 H158K70-P155 HydrophobicContact CD-CG 4.47Å; K70-P155 HydrophobicContact CG-CG 4.33Å; P155-H157 VanDerWaalsContact C-N 3.3Å; P155-H157 PolarHBondContact O-N 3.4Å; P155-H158 PolarHBondContact O-NE2 3.12Å
156D95.4Very high97.4Very high71 Ų7128.4 Ų28.438%0.3815%0.145SC..THydrogen-bonded Turntrans-76.1-23.6-171.2-51.5-61.6000112.3K70 R73 K153K70-D156 VanDerWaalsContact CE-CG 3.45Å; K70-D156 WeakPolarHBondContact CE-OD1 3.31Å; K70-D156 WeakPolarHBondContact CE-OD2 3.47Å; K70-D156 IonicContact NZ-OD1 3.92Å; K70-D156 PolarHBondContact NZ-OD1 3.44Å; K70-D156 IonicContact NZ-OD2 3.82Å; R73-D156 IonicContact CZ-OD2 3.52Å; R73-D156 IonicContact NH1-OD2 3.88Å; R73-D156 PolarHBondContact NH1-OD2 3.42Å; R73-D156 IonicContact NH2-OD2 3.33Å; K153-D156 PolarHBondContact O-N 2.97Å
157H96.9Very high97.3Very high71 Ų7129.4 Ų29.433%0.32915%0.15SC..  trans-141.1118.9-175.4-57.2-66.3000110.6R152 K153 V154 P155 A161R152-H157 HydrophobicContact CB-CB 3.81Å; R152-H157 VanDerWaalsContact CB-CD2 3.49Å; R152-H157 WeakPolarHBondContact CB-CD2 3.49Å; R152-H157 WeakPolarHBondContact CD-NE2 3.28Å; K153-H157 CarbonylContact C-O 3.59Å; K153-H157 PolarHBondContact O-N 2.96Å; V154-H157 PolarHBondContact N-O 3.48Å; P155-H157 VanDerWaalsContact C-N 3.3Å; P155-H157 PolarHBondContact O-N 3.4Å; H157-A161 HydrophobicContact CB-CB 3.81Å
158H96.6Very high97.3Very high77 Ų7733.9 Ų33.936%0.35617%0.174SC..  trans-95.1-179.5174.5-60.9-80.7000110.5P155 A161 N255 Y256 A258P155-H158 PolarHBondContact O-NE2 3.12Å; H158-A161 WeakPolarHBondContact O-CB 3.38Å; H158-A161 PolarHBondContact O-N 3.23Å; H158-N255 PolarHBondContact CE1-O 3.2Å; H158-N255 VanDerWaalsContact CE1-O 3.3Å; H158-N255 PolarHBondContact ND1-O 3.45Å; H158-Y256 CarbonylContact C-O 3.54Å; H158-Y256 WeakPolarHBondContact CA-O 3.43Å; H158-Y256 WeakPolarHBondContact CB-O 3.45Å; H158-A258 HydrophobicContact CB-CB 4.4Å
159S95.6Very high97.3Very high27 Ų2733.9 Ų33.919%0.18917%0.174CC..THydrogen-bonded Turntrans-53.7139.1168.2-168.10000110.6Y256 N323S159-Y256 PolarHBondContact N-O 3.28Å; S159-Y256 PolarHBondContact OG-OH 2.89Å; S159-N323 PolarHBondContact OG-OD1 3.14Å
160P96.3Very high97.3Very high49 Ų4933.9 Ų33.932%0.31817%0.174SC..THydrogen-bonded Turncis-96.8227.139.1-39.6000114.8L162 F163 Q164 E322P160-L162 VanDerWaalsContact C-N 3.33Å; P160-L162 PolarHBondContact O-N 3.08Å; P160-F163 PolarHBondContact O-N 2.94Å; P160-F163 VanDerWaalsContact O-N 3.12Å; P160-Q164 HydrophobicContact CB-CG 4.41Å; P160-Q164 HydrophobicContact CG-CG 4.3Å; P160-Q164 WeakPolarHBondContact O-CG 3.47Å; P160-Q164 PolarHBondContact O-N 3.36Å; P160-E322 VanDerWaalsContact CB-OE1 3.24Å; P160-E322 WeakPolarHBondContact CB-OE1 3.39Å
161A97.6Very high97.4Very high8 Ų834.7 Ų34.77%0.06618%0.176CC..Hα-helixtrans-59.1-39-168.400000114.2R152 H157 H158 D165R152-A161 HydrophobicContact CB-CB 4.44Å; H157-A161 HydrophobicContact CB-CB 3.81Å; H158-A161 WeakPolarHBondContact O-CB 3.38Å; H158-A161 PolarHBondContact O-N 3.23Å; A161-D165 WeakPolarHBondContact O-CB 3.29Å; A161-D165 VanDerWaalsContact O-CG 3.29Å; A161-D165 PolarHBondContact O-N 2.87Å
162L97.6Very high97.4Very high7 Ų738.7 Ų38.74%0.03720%0.195CC..Hα-helixtrans-62.2-47.6176.6169.1160.9000111.2T123 Y151 P160 C166 I194 V198 Y256T123-L162 HydrophobicContact CG2-CD1 3.44Å; T123-L162 VanDerWaalsContact CG2-CD1 3.44Å; Y151-L162 HydrophobicContact CD2-CB 4.06Å; Y151-L162 HydrophobicContact CD2-CD1 3.73Å; Y151-L162 HydrophobicContact CD2-CG 3.7Å; Y151-L162 HydrophobicContact CE2-CD1 3.38Å; Y151-L162 HydrophobicContact CE2-CG 3.9Å; Y151-L162 HydrophobicContact CG-CD1 4.48Å; Y151-L162 HydrophobicContact CG-CG 4.11Å; P160-L162 VanDerWaalsContact C-N 3.33Å; P160-L162 PolarHBondContact O-N 3.08Å; L162-C166 WeakPolarHBondContact O-CB 3.43Å; L162-C166 PolarHBondContact O-N 2.98Å; L162-C166 VanDerWaalsContact O-N 3.08Å; L162-C166 PolarHBondContact O-SG 2.96Å; L162-I194 HydrophobicContact CD1-CD1 4.13Å; L162-I194 HydrophobicContact CD1-CG1 4.31Å; L162-V198 HydrophobicContact CD2-CG2 3.19Å; L162-V198 HydrophobicContact CG-CG2 4.25Å; L162-Y256 HydrophobicContact CB-CE2 3.97Å
163F98.3Very high97.5Very high32 Ų3234.7 Ų34.714%0.1418%0.18CC..Hα-helixtrans-63.6-45.7179.1175.6-103.1000110.9P160 D165 C166 M167 A201 I202 A205 E322P160-F163 PolarHBondContact O-N 2.94Å; P160-F163 VanDerWaalsContact O-N 3.12Å; F163-D165 PolarHBondContact O-N 3.37Å; F163-C166 PolarHBondContact O-N 2.69Å; F163-M167 HydrophobicContact CE2-CE 4.11Å; F163-M167 HydrophobicContact CZ-CE 3.69Å; F163-M167 VanDerWaalsContact O-CB 3.24Å; F163-M167 WeakPolarHBondContact O-CB 2.91Å; F163-M167 PolarHBondContact O-N 3.36Å; F163-A201 HydrophobicContact CD2-CB 4.02Å; F163-A201 HydrophobicContact CE2-CB 3.83Å; F163-I202 HydrophobicContact CD2-CG1 4.39Å; F163-I202 HydrophobicContact CE2-CG1 4.07Å; F163-A205 HydrophobicContact CZ-CB 3.98Å; F163-E322 HydrophobicContact CD1-CB 4.31Å; F163-E322 WeakPolarHBondContact CD1-OE2 3.44Å; F163-E322 HydrophobicContact CD2-CB 4.06Å; F163-E322 HydrophobicContact CE2-CB 4.31Å; F163-E322 HydrophobicContact CG-CB 4.06Å
164Q98.4Very high97.6Very high92 Ų9234 Ų3443%0.4318%0.177SC..Hα-helixtrans-61-45.1178.6-71.4179.4-10.200112.9P160 N168P160-Q164 HydrophobicContact CB-CG 4.41Å; P160-Q164 HydrophobicContact CG-CG 4.3Å; P160-Q164 WeakPolarHBondContact O-CG 3.47Å; P160-Q164 PolarHBondContact O-N 3.36Å; Q164-N168 VanDerWaalsContact O-CB 3.27Å; Q164-N168 WeakPolarHBondContact O-CB 3.47Å; Q164-N168 PolarHBondContact O-N 3.42Å; Q164-N168 PolarHBondContact O-ND2 2.93Å; Q164-N168 VanDerWaalsContact O-ND2 3.09Å
165D98.8Very high97.7Very high2 Ų240.4 Ų40.41%0.01120%0.204CC..Hα-helixtrans-63.6-47.5178.9-76.2-5.7000111.1I97 R152 A161 F163 N168 A169I97-D165 HydrophobicContact CD1-CB 4.17Å; I97-D165 WeakPolarHBondContact CD1-O 3.48Å; I97-D165 HydrophobicContact CG1-CB 4.07Å; I97-D165 HydrophobicContact CG2-CB 4.26Å; R152-D165 WeakPolarHBondContact CB-OD2 3.44Å; R152-D165 WeakPolarHBondContact CG-OD2 3.45Å; R152-D165 IonicContact CZ-OD1 3.24Å; R152-D165 VanDerWaalsContact CZ-OD1 3.26Å; R152-D165 IonicContact CZ-OD2 2.73Å; R152-D165 PolarHBondContact N-OD2 3.3Å; R152-D165 VanDerWaalsContact NE-CG 3.33Å; R152-D165 IonicContact NE-OD1 3.73Å; R152-D165 PolarHBondContact NE-OD1 3.19Å; R152-D165 IonicContact NE-OD2 3.85Å; R152-D165 PolarHBondContact NE-OD2 3.14Å; R152-D165 IonicContact NH2-OD1 3.49Å; R152-D165 PolarHBondContact NH2-OD1 2.88Å; R152-D165 IonicContact NH2-OD2 3.27Å; A161-D165 WeakPolarHBondContact O-CB 3.29Å; A161-D165 VanDerWaalsContact O-CG 3.29Å; A161-D165 PolarHBondContact O-N 2.87Å; F163-D165 PolarHBondContact O-N 3.37Å; D165-N168 PolarHBondContact O-N 3.35Å; D165-A169 VanDerWaalsContact O-CB 3.29Å; D165-A169 WeakPolarHBondContact O-CB 3.29Å; D165-A169 PolarHBondContact O-N 2.96Å
166C98.8Very high97.9Very high0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-63.8-44.5179.1-68.70000111.4Y118 L162 F163 S170 V198 I202Y118-C166 HydrophobicContact CD1-CB 3.76Å; Y118-C166 HydrophobicContact CE1-CB 3.7Å; L162-C166 WeakPolarHBondContact O-CB 3.43Å; L162-C166 PolarHBondContact O-N 2.98Å; L162-C166 VanDerWaalsContact O-N 3.08Å; L162-C166 PolarHBondContact O-SG 2.96Å; F163-C166 PolarHBondContact O-N 2.69Å; C166-S170 VanDerWaalsContact O-CB 3.24Å; C166-S170 WeakPolarHBondContact O-CB 3.28Å; C166-S170 PolarHBondContact O-N 3.38Å; C166-S170 PolarHBondContact O-OG 2.94Å; C166-V198 HydrophobicContact CB-CG1 3.54Å; C166-I202 VanDerWaalsContact C-CD1 3.46Å; C166-I202 HydrophobicContact CB-CD1 3.47Å; C166-I202 VanDerWaalsContact CB-CD1 3.47Å
167M98.6Very high98Very high22 Ų2236.1 Ų36.111%0.10818%0.182CC..Hα-helixtrans-60.5-50.6176.918057.977.500111.8F163 A169 S170 I171 I202 A205 L206F163-M167 HydrophobicContact CE2-CE 4.11Å; F163-M167 HydrophobicContact CZ-CE 3.69Å; F163-M167 VanDerWaalsContact O-CB 3.24Å; F163-M167 WeakPolarHBondContact O-CB 2.91Å; F163-M167 PolarHBondContact O-N 3.36Å; M167-A169 PolarHBondContact O-N 3.01Å; M167-S170 PolarHBondContact O-N 3.08Å; M167-I171 HydrophobicContact CG-CD1 3.89Å; M167-I171 VanDerWaalsContact O-CG1 3.31Å; M167-I171 WeakPolarHBondContact O-CG1 3.09Å; M167-I171 PolarHBondContact O-N 3.15Å; M167-I171 HydrophobicContact SD-CD1 3.71Å; M167-I171 HydrophobicContact SD-CG1 4.01Å; M167-I202 HydrophobicContact CE-CB 4.27Å; M167-I202 HydrophobicContact CE-CG1 4.04Å; M167-I202 HydrophobicContact CE-CG2 4.12Å; M167-I202 HydrophobicContact SD-CG2 4.31Å; M167-A205 HydrophobicContact CE-CB 3.35Å; M167-L206 HydrophobicContact SD-CD2 3.9Å; M167-L206 HydrophobicContact SD-CG 4.35Å
168N98.7Very high98Very high93 Ų9341.4 Ų41.450%0.49721%0.207SC..Hα-helixtrans-64.7-43-177.3-73.3-30.9000112.2I97 Q164 D165 H172I97-N168 HydrophobicContact CD1-CB 3.89Å; Q164-N168 VanDerWaalsContact O-CB 3.27Å; Q164-N168 WeakPolarHBondContact O-CB 3.47Å; Q164-N168 PolarHBondContact O-N 3.42Å; Q164-N168 PolarHBondContact O-ND2 2.93Å; Q164-N168 VanDerWaalsContact O-ND2 3.09Å; D165-N168 PolarHBondContact O-N 3.35Å; N168-H172 WeakPolarHBondContact O-CB 3.1Å; N168-H172 PolarHBondContact O-N 3.48Å
169A98.8Very high97.9Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-66.5-38.4177.400000111.9F94 I97 V99 I149 D165 M167 H172 F173F94-A169 HydrophobicContact CD2-CB 4.15Å; I97-A169 HydrophobicContact CD1-CB 4.38Å; I97-A169 HydrophobicContact CG2-CB 4.25Å; V99-A169 HydrophobicContact CG1-CB 4.23Å; I149-A169 HydrophobicContact CD1-CB 3.72Å; I149-A169 HydrophobicContact CG1-CB 3.82Å; I149-A169 HydrophobicContact CG2-CB 4.04Å; D165-A169 VanDerWaalsContact O-CB 3.29Å; D165-A169 WeakPolarHBondContact O-CB 3.29Å; D165-A169 PolarHBondContact O-N 2.96Å; M167-A169 PolarHBondContact O-N 3.01Å; A169-H172 PolarHBondContact O-N 3.29Å; A169-F173 PolarHBondContact O-N 2.88Å
170S98.8Very high98Very high0 Ų044 Ų440%022%0.223CC..Hα-helixtrans-65.8-46176.1-65.50000112.3Y118 C166 M167 H172 F173 L174Y118-S170 WeakPolarHBondContact CE1-OG 3.47Å; Y118-S170 PolarHBondContact OH-OG 2.81Å; C166-S170 VanDerWaalsContact O-CB 3.24Å; C166-S170 WeakPolarHBondContact O-CB 3.28Å; C166-S170 PolarHBondContact O-N 3.38Å; C166-S170 PolarHBondContact O-OG 2.94Å; M167-S170 PolarHBondContact O-N 3.08Å; S170-H172 VanDerWaalsContact C-N 3.3Å; S170-H172 PolarHBondContact O-N 3.32Å; S170-F173 PolarHBondContact O-N 2.79Å; S170-L174 WeakPolarHBondContact O-CB 3.44Å; S170-L174 WeakPolarHBondContact O-CG 3.29Å; S170-L174 PolarHBondContact O-N 2.87Å
171I98.6Very high98Very high26 Ų2643.2 Ų43.213%0.13322%0.224CC..Hα-helixtrans-59.1-43.7174.5-70173.6000110.5M167 F173 L174 K175 L206 L212M167-I171 HydrophobicContact CG-CD1 3.89Å; M167-I171 VanDerWaalsContact O-CG1 3.31Å; M167-I171 WeakPolarHBondContact O-CG1 3.09Å; M167-I171 PolarHBondContact O-N 3.15Å; M167-I171 HydrophobicContact SD-CD1 3.71Å; M167-I171 HydrophobicContact SD-CG1 4.01Å; I171-F173 PolarHBondContact O-N 2.87Å; I171-L174 PolarHBondContact O-N 2.9Å; I171-K175 HydrophobicContact CG2-CD 4.18Å; I171-K175 WeakPolarHBondContact O-CG 3.29Å; I171-K175 PolarHBondContact O-N 2.97Å; I171-L206 HydrophobicContact CG1-CD2 4.23Å; I171-L212 HydrophobicContact CG1-CD1 3.96Å; I171-L212 HydrophobicContact CG2-CD1 4.43Å; I171-L212 HydrophobicContact CG2-CD2 4.28Å
172H98.6Very high98Very high88 Ų8843 Ų4341%0.40722%0.222SC..Hα-helixtrans-59.4-47.6178.1-172.195.2000111.5F94 N168 A169 S170 K175 A176F94-H172 HydrophobicContact CB-CB 4.39Å; F94-H172 AromaticContact CD1-CD2 3.43Å; F94-H172 VanDerWaalsContact CD1-CD2 3.43Å; F94-H172 WeakPolarHBondContact CD1-CD2 3.3Å; F94-H172 AromaticContact CD1-NE2 3.57Å; F94-H172 HydrophobicContact CD2-CB 3.82Å; F94-H172 AromaticContact CD2-CD2 3.48Å; F94-H172 VanDerWaalsContact CD2-CD2 3.48Å; F94-H172 WeakPolarHBondContact CD2-CD2 3.17Å; F94-H172 AromaticContact CD2-CG 3.81Å; F94-H172 AromaticContact CE1-CD2 3.5Å; F94-H172 AromaticContact CE1-NE2 3.69Å; F94-H172 HydrophobicContact CE2-CB 4.33Å; F94-H172 AromaticContact CE2-CD2 3.53Å; F94-H172 HydrophobicContact CG-CB 4.19Å; F94-H172 AromaticContact CG-CD2 3.43Å; F94-H172 VanDerWaalsContact CG-CD2 3.43Å; F94-H172 WeakPolarHBondContact CG-CD2 3.43Å; F94-H172 AromaticContact CG-CG 3.79Å; F94-H172 AromaticContact CG-NE2 3.99Å; F94-H172 AromaticContact CZ-CD2 3.55Å; N168-H172 WeakPolarHBondContact O-CB 3.1Å; N168-H172 PolarHBondContact O-N 3.48Å; A169-H172 PolarHBondContact O-N 3.29Å; S170-H172 VanDerWaalsContact C-N 3.3Å; S170-H172 PolarHBondContact O-N 3.32Å; H172-K175 PolarHBondContact O-N 2.73Å; H172-A176 WeakPolarHBondContact O-CB 3.47Å; H172-A176 PolarHBondContact O-N 2.87Å
173F98.7Very high98Very high0 Ų044.5 Ų44.50%023%0.23CC..Hα-helixtrans-63.9-45.3178.4-170.7-116.1000112.8F94 L101 I116 V145 L147 A169 S170 I171 K175 A176 L177 Y180 V182F94-F173 HydrophobicContact CE2-CB 4.18Å; L101-F173 HydrophobicContact CD1-CE2 3.93Å; I116-F173 HydrophobicContact CD1-CD1 3.9Å; I116-F173 HydrophobicContact CG1-CD1 3.66Å; I116-F173 HydrophobicContact CG1-CE1 4.06Å; V145-F173 HydrophobicContact CG1-CE2 4.42Å; V145-F173 HydrophobicContact CG1-CZ 4.12Å; L147-F173 HydrophobicContact CB-CD1 4.36Å; L147-F173 HydrophobicContact CB-CD2 4.15Å; L147-F173 HydrophobicContact CB-CE1 4.33Å; L147-F173 HydrophobicContact CB-CE2 4.13Å; L147-F173 HydrophobicContact CB-CG 4.26Å; L147-F173 HydrophobicContact CB-CZ 4.22Å; L147-F173 HydrophobicContact CD1-CD2 4.45Å; L147-F173 HydrophobicContact CD2-CB 3.57Å; L147-F173 HydrophobicContact CD2-CD1 4.25Å; L147-F173 HydrophobicContact CD2-CD2 3.89Å; L147-F173 HydrophobicContact CD2-CG 3.64Å; L147-F173 HydrophobicContact CG-CD2 4.41Å; A169-F173 PolarHBondContact O-N 2.88Å; S170-F173 PolarHBondContact O-N 2.79Å; I171-F173 PolarHBondContact O-N 2.87Å; F173-K175 PolarHBondContact O-N 3.21Å; F173-A176 CarbonylContact O-C 3.56Å; F173-A176 PolarHBondContact O-N 2.96Å; F173-L177 HydrophobicContact CD1-CD2 3.77Å; F173-L177 HydrophobicContact CE1-CD2 3.66Å; F173-L177 HydrophobicContact CG-CD2 4.35Å; F173-L177 HydrophobicContact CZ-CD2 4.13Å; F173-L177 VanDerWaalsContact O-CD2 3.32Å; F173-L177 WeakPolarHBondContact O-CD2 3.32Å; F173-L177 WeakPolarHBondContact O-CG 3.3Å; F173-L177 PolarHBondContact O-N 2.88Å; F173-L177 VanDerWaalsContact O-N 3.17Å; F173-Y180 AromaticContact CD2-CD2 3.64Å; F173-Y180 HydrophobicContact CD2-CD2 3.64Å; F173-Y180 AromaticContact CD2-CE2 3.74Å; F173-Y180 HydrophobicContact CD2-CE2 3.74Å; F173-Y180 HydrophobicContact CD2-CG 4.5Å; F173-Y180 AromaticContact CE2-CD2 3.48Å; F173-Y180 HydrophobicContact CE2-CD2 3.48Å; F173-Y180 VanDerWaalsContact CE2-CD2 3.48Å; F173-Y180 AromaticContact CE2-CE2 4Å; F173-Y180 HydrophobicContact CE2-CE2 4Å; F173-Y180 AromaticContact CE2-CG 3.93Å; F173-Y180 HydrophobicContact CE2-CG 3.93Å; F173-V182 HydrophobicContact CZ-CG2 4.18Å
174L98.7Very high97.9Very high4 Ų446.1 Ų46.12%0.02124%0.244CC..Hα-helixtrans-61.5-30.6178.6-72.8171.6000112.7I116 S170 I171 L177 V187 L206 L212 P213 I215I116-L174 HydrophobicContact CD1-CD2 4.39Å; I116-L174 HydrophobicContact CD1-CG 4.24Å; S170-L174 WeakPolarHBondContact O-CB 3.44Å; S170-L174 WeakPolarHBondContact O-CG 3.29Å; S170-L174 PolarHBondContact O-N 2.87Å; I171-L174 PolarHBondContact O-N 2.9Å; L174-L177 HydrophobicContact CD2-CD1 4.31Å; L174-L177 WeakPolarHBondContact O-CG 3.41Å; L174-V187 HydrophobicContact CD2-CB 4.4Å; L174-V187 HydrophobicContact CD2-CG1 3.96Å; L174-V187 HydrophobicContact CD2-CG2 4.37Å; L174-L206 HydrophobicContact CD1-CD1 3.93Å; L174-L212 HydrophobicContact CB-CD2 4.13Å; L174-P213 WeakPolarHBondContact O-CD 3.33Å; L174-I215 HydrophobicContact CD1-CD1 4.15Å; L174-I215 HydrophobicContact CD2-CD1 3.88Å
175K98.2Very high97.9Very high136 Ų13645.1 Ų45.159%0.59125%0.247SC*.Hα-helixtrans-77.2-20173.4-72.7-176.9176.1-1720113.8I171 H172 F173 D211 L212I171-K175 HydrophobicContact CG2-CD 4.18Å; I171-K175 WeakPolarHBondContact O-CG 3.29Å; I171-K175 PolarHBondContact O-N 2.97Å; H172-K175 PolarHBondContact O-N 2.73Å; F173-K175 PolarHBondContact O-N 3.21Å; K175-D211 IonicContact NZ-OD2 3.61Å; K175-L212 HydrophobicContact CD-CD2 4.3Å; K175-L212 HydrophobicContact CG-CD2 3.58Å
176A97.6Very high97.8Very high19 Ų1947 Ų4716%0.15725%0.254CS..SBendtrans-114.117-172.800000113.6H172 F173 E178 T179 Y180H172-A176 WeakPolarHBondContact O-CB 3.47Å; H172-A176 PolarHBondContact O-N 2.87Å; F173-A176 CarbonylContact O-C 3.56Å; F173-A176 PolarHBondContact O-N 2.96Å; A176-E178 VanDerWaalsContact C-N 3.31Å; A176-E178 PolarHBondContact O-N 3.41Å; A176-T179 WeakPolarHBondContact O-CB 3.25Å; A176-T179 PolarHBondContact O-N 2.83Å; A176-T179 VanDerWaalsContact O-N 3.09Å; A176-Y180 HydrophobicContact CB-CD2 4.14Å; A176-Y180 HydrophobicContact CB-CE2 3.71Å; A176-Y180 WeakPolarHBondContact O-CD2 3.5Å; A176-Y180 PolarHBondContact O-N 3.4Å
177L98.1Very high97.8Very high6 Ų647 Ų473%0.03125%0.254CS..THydrogen-bonded Turntrans-56.7-41.4-174.2-65.2179.6000113.3F173 L174 T179 Y180 G181 V182 P184 V187 P213F173-L177 HydrophobicContact CD1-CD2 3.77Å; F173-L177 HydrophobicContact CE1-CD2 3.66Å; F173-L177 HydrophobicContact CG-CD2 4.35Å; F173-L177 HydrophobicContact CZ-CD2 4.13Å; F173-L177 VanDerWaalsContact O-CD2 3.32Å; F173-L177 WeakPolarHBondContact O-CD2 3.32Å; F173-L177 WeakPolarHBondContact O-CG 3.3Å; F173-L177 PolarHBondContact O-N 2.88Å; F173-L177 VanDerWaalsContact O-N 3.17Å; L174-L177 HydrophobicContact CD2-CD1 4.31Å; L174-L177 WeakPolarHBondContact O-CG 3.41Å; L177-T179 VanDerWaalsContact C-N 3.32Å; L177-T179 PolarHBondContact O-N 2.79Å; L177-Y180 CarbonylContact O-C 3.57Å; L177-Y180 PolarHBondContact O-N 3.37Å; L177-Y180 VanDerWaalsContact O-N 3.1Å; L177-G181 PolarHBondContact O-N 3.42Å; L177-G181 VanDerWaalsContact O-N 3.09Å; L177-V182 HydrophobicContact CB-CB 4.04Å; L177-V182 HydrophobicContact CB-CG1 4.42Å; L177-V182 HydrophobicContact CD2-CB 3.99Å; L177-V182 HydrophobicContact CD2-CG1 3.81Å; L177-V182 HydrophobicContact CG-CG1 4.49Å; L177-V182 PolarHBondContact O-N 3.44Å; L177-P184 HydrophobicContact CD1-CB 3.95Å; L177-V187 HydrophobicContact CD1-CG2 3.62Å; L177-V187 HydrophobicContact CD2-CG2 4.06Å; L177-P213 HydrophobicContact CD1-CB 4.14Å; L177-P213 HydrophobicContact CD1-CG 3.78Å
178E96.3Very high97.8Very high181 Ų18146.1 Ų46.185%0.84625%0.25SS*.THydrogen-bonded Turntrans-60.2-42.3178.3-174.4177.7-175.900111.6A176 Y180 G181A176-E178 VanDerWaalsContact C-N 3.31Å; A176-E178 PolarHBondContact O-N 3.41Å; E178-Y180 PolarHBondContact O-N 2.82Å; E178-G181 PolarHBondContact O-N 2.62Å
179T95.9Very high97.8Very high120 Ų12041.7 Ų41.774%0.73623%0.226SC*.THydrogen-bonded Turntrans-59.5-33.7176.3-530000112.2A176 L177 G181A176-T179 WeakPolarHBondContact O-CB 3.25Å; A176-T179 PolarHBondContact O-N 2.83Å; A176-T179 VanDerWaalsContact O-N 3.09Å; L177-T179 VanDerWaalsContact C-N 3.32Å; L177-T179 PolarHBondContact O-N 2.79Å; T179-G181 VanDerWaalsContact C-N 3.35Å
180Y96.1Very high97.8Very high38 Ų3841.9 Ų41.915%0.14923%0.227CC..THydrogen-bonded Turntrans-89.80.7177.6-61.6-61.3000113.6F94 L101 F173 A176 L177 E178F94-Y180 WeakPolarHBondContact CE1-OH 2.96Å; F94-Y180 HydrophobicContact CZ-CE2 4.33Å; F94-Y180 WeakPolarHBondContact CZ-OH 3.3Å; L101-Y180 HydrophobicContact CD2-CD1 3.49Å; L101-Y180 VanDerWaalsContact CD2-CD1 3.49Å; L101-Y180 HydrophobicContact CD2-CE1 3.59Å; L101-Y180 HydrophobicContact CD2-CG 4.44Å; F173-Y180 AromaticContact CD2-CD2 3.64Å; F173-Y180 HydrophobicContact CD2-CD2 3.64Å; F173-Y180 AromaticContact CD2-CE2 3.74Å; F173-Y180 HydrophobicContact CD2-CE2 3.74Å; F173-Y180 HydrophobicContact CD2-CG 4.5Å; F173-Y180 AromaticContact CE2-CD2 3.48Å; F173-Y180 HydrophobicContact CE2-CD2 3.48Å; F173-Y180 VanDerWaalsContact CE2-CD2 3.48Å; F173-Y180 AromaticContact CE2-CE2 4Å; F173-Y180 HydrophobicContact CE2-CE2 4Å; F173-Y180 AromaticContact CE2-CG 3.93Å; F173-Y180 HydrophobicContact CE2-CG 3.93Å; A176-Y180 HydrophobicContact CB-CD2 4.14Å; A176-Y180 HydrophobicContact CB-CE2 3.71Å; A176-Y180 WeakPolarHBondContact O-CD2 3.5Å; A176-Y180 PolarHBondContact O-N 3.4Å; L177-Y180 CarbonylContact O-C 3.57Å; L177-Y180 PolarHBondContact O-N 3.37Å; L177-Y180 VanDerWaalsContact O-N 3.1Å; E178-Y180 PolarHBondContact O-N 2.82Å
181G96.4Very high97.8Very high34 Ų3441.9 Ų41.935%0.35123%0.227SC..THydrogen-bonded Turntrans67.534.3-176.900000113.1P111 R112 L177 E178 T179P111-G181 CarbonylContact C-O 3.59Å; P111-G181 VanDerWaalsContact CA-O 3.31Å; P111-G181 WeakPolarHBondContact CA-O 3.4Å; R112-G181 PolarHBondContact N-O 3.15Å; L177-G181 PolarHBondContact O-N 3.42Å; L177-G181 VanDerWaalsContact O-N 3.09Å; E178-G181 PolarHBondContact O-N 2.62Å; T179-G181 VanDerWaalsContact C-N 3.35Å
182V98.3Very high97.8Very high4 Ų440.7 Ų40.72%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-102.1135.9-178.9177.90000111.2R112 V145 F173 L177 P184 V187R112-V182 CarbonylContact O-C 3.51Å; R112-V182 WeakPolarHBondContact O-CA 3.36Å; V145-V182 HydrophobicContact CB-CG2 3.53Å; V145-V182 HydrophobicContact CG1-CG2 3.9Å; V145-V182 HydrophobicContact CG2-CG2 3.82Å; F173-V182 HydrophobicContact CZ-CG2 4.18Å; L177-V182 HydrophobicContact CB-CB 4.04Å; L177-V182 HydrophobicContact CB-CG1 4.42Å; L177-V182 HydrophobicContact CD2-CB 3.99Å; L177-V182 HydrophobicContact CD2-CG1 3.81Å; L177-V182 HydrophobicContact CG-CG1 4.49Å; L177-V182 PolarHBondContact O-N 3.44Å; V182-P184 WeakPolarHBondContact O-CD 3.41Å; V182-V187 HydrophobicContact CG1-CG2 4.04Å
183D97.5Very high97.8Very high38 Ų3837 Ų3720%0.20321%0.205CC..EExtended strand (participates in β ladder)trans-72.7117.1172.5-173.1-25.7000110.3P111 R112 S185 R186P111-D183 HydrophobicContact CB-CB 3.94Å; R112-D183 PolarHBondContact O-N 3.43Å; D183-S185 PolarHBondContact O-N 3.43Å; D183-S185 VanDerWaalsContact O-N 3.13Å; D183-S185 WeakPolarHBondContact OD1-CB 3.2Å; D183-S185 PolarHBondContact OD1-N 3.43Å; D183-S185 PolarHBondContact OD1-OG 3.24Å; D183-S185 PolarHBondContact OD2-OG 3.12Å; D183-R186 HydrophobicContact CB-CB 4.14Å; D183-R186 HydrophobicContact CB-CG 4.12Å; D183-R186 PolarHBondContact O-N 2.8Å; D183-R186 WeakPolarHBondContact OD2-CD 3.28Å
184P97.3Very high97.7Very high65 Ų6537.7 Ų37.742%0.42221%0.209SC..EExtended strand (participates in β ladder)trans-62-21-179.425.6-34.4000114L177 V182 R186 P213L177-P184 HydrophobicContact CD1-CB 3.95Å; V182-P184 WeakPolarHBondContact O-CD 3.41Å; P184-R186 VanDerWaalsContact C-N 3.31Å; P184-P213 HydrophobicContact CB-CB 3.82Å; P184-P213 HydrophobicContact CB-CG 3.86Å
185S96.6Very high97.7Very high71 Ų7137.5 Ų37.550%0.49721%0.208SC..EExtended strand (participates in β ladder)trans-84.6-3.5178.271.10000113.8D183 R216D183-S185 PolarHBondContact O-N 3.43Å; D183-S185 VanDerWaalsContact O-N 3.13Å; D183-S185 WeakPolarHBondContact OD1-CB 3.2Å; D183-S185 PolarHBondContact OD1-N 3.43Å; D183-S185 PolarHBondContact OD1-OG 3.24Å; D183-S185 PolarHBondContact OD2-OG 3.12Å; S185-R216 WeakPolarHBondContact O-CB 3.3Å; S185-R216 WeakPolarHBondContact O-CD 3.12Å
186R97Very high97.7Very high41 Ų4131 Ų3116%0.15518%0.18CC..EExtended strand (participates in β ladder)trans-131.833.6-169.6-52.8176.470.3-162.210.2112.9R113 G114 D183 P184R113-R186 HydrophobicContact CG-CB 4.22Å; G114-R186 PolarHBondContact N-O 3.45Å; G114-R186 VanDerWaalsContact N-O 3.12Å; D183-R186 HydrophobicContact CB-CB 4.14Å; D183-R186 HydrophobicContact CB-CG 4.12Å; D183-R186 PolarHBondContact O-N 2.8Å; D183-R186 WeakPolarHBondContact OD2-CD 3.28Å; P184-R186 VanDerWaalsContact C-N 3.31Å
187V98.4Very high97.8Very high0 Ų030.5 Ų30.50%018%0.175CC..EExtended strand (participates in β ladder)trans-89.4124.7175.2-175.40000110.4G114 I116 L174 L177 V182 I215 R216G114-V187 CarbonylContact O-C 3.58Å; G114-V187 WeakPolarHBondContact O-CA 3.48Å; I116-V187 HydrophobicContact CD1-CG1 4.3Å; I116-V187 HydrophobicContact CG1-CG1 4.32Å; L174-V187 HydrophobicContact CD2-CB 4.4Å; L174-V187 HydrophobicContact CD2-CG1 3.96Å; L174-V187 HydrophobicContact CD2-CG2 4.37Å; L177-V187 HydrophobicContact CD1-CG2 3.62Å; L177-V187 HydrophobicContact CD2-CG2 4.06Å; V182-V187 HydrophobicContact CG1-CG2 4.04Å; V187-I215 HydrophobicContact CB-CD1 4.47Å; V187-I215 HydrophobicContact CG1-CD1 4.02Å; V187-R216 WeakPolarHBondContact O-CB 3.17Å; V187-R216 PolarHBondContact O-N 3.43Å
188V98.5Very high97.8Very high5 Ų530.4 Ų30.43%0.0318%0.175CC..EExtended strand (participates in β ladder)trans-110140175.6-178.70000108.9G114 I115 I116 A217 V219 I407G114-V188 PolarHBondContact O-N 3.49Å; I115-V188 CarbonylContact C-O 3.51Å; I115-V188 VanDerWaalsContact CA-O 3.31Å; I115-V188 WeakPolarHBondContact CA-O 3.48Å; I116-V188 PolarHBondContact N-O 3.37Å; V188-A217 WeakPolarHBondContact CA-O 3.17Å; V188-A217 HydrophobicContact CG2-CB 4.42Å; V188-V219 HydrophobicContact CG1-CG2 3.69Å; V188-I407 HydrophobicContact CG2-CD1 3.42Å; V188-I407 VanDerWaalsContact CG2-CD1 3.42Å; V188-I407 HydrophobicContact CG2-CG1 4.39Å
189V98.8Very high97.9Very high0 Ų021.8 Ų21.80%014%0.135CC..EExtended strand (participates in β ladder)trans-102.3138.5166.2-64.90000109.4I116 Y118 V199 T203 I215 A217 Q218 V219I116-V189 HydrophobicContact CB-CG1 4.27Å; I116-V189 HydrophobicContact CD1-CG1 4.37Å; I116-V189 CarbonylContact O-C 3.57Å; I116-V189 WeakPolarHBondContact O-CA 3.48Å; Y118-V189 HydrophobicContact CE2-CB 4.07Å; Y118-V189 HydrophobicContact CE2-CG1 4.33Å; V189-V199 HydrophobicContact CB-CG1 4.49Å; V189-V199 HydrophobicContact CB-CG2 4.44Å; V189-V199 HydrophobicContact CG2-CG1 3.7Å; V189-V199 HydrophobicContact CG2-CG2 4.48Å; V189-T203 HydrophobicContact CG2-CG2 3.51Å; V189-I215 HydrophobicContact CG1-CD1 3.85Å; V189-I215 HydrophobicContact CG1-CG1 4.2Å; V189-I215 HydrophobicContact CG1-CG2 4.13Å; V189-I215 HydrophobicContact CG2-CG2 3.87Å; V189-A217 PolarHBondContact N-O 2.88Å; V189-A217 VanDerWaalsContact N-O 3.13Å; V189-Q218 HydrophobicContact CG2-CB 3.74Å; V189-V219 PolarHBondContact O-N 2.9Å
190C98.9Very high98.1Very high3 Ų316.1 Ų16.12%0.0210%0.1CC..EExtended strand (participates in β ladder)trans-142.1142.3-173.7-176.40000110.5I115 I116 F117 Y118 V219I115-C190 HydrophobicContact CG2-CB 4.15Å; I116-C190 PolarHBondContact O-N 3.46Å; F117-C190 CarbonylContact C-O 3.54Å; F117-C190 VanDerWaalsContact CA-O 3.29Å; F117-C190 WeakPolarHBondContact CA-O 3.34Å; F117-C190 HydrophobicContact CD2-CB 4Å; F117-C190 HydrophobicContact CE2-CB 4.48Å; Y118-C190 PolarHBondContact N-O 2.88Å; C190-V219 WeakPolarHBondContact CA-O 3.42Å; C190-V219 HydrophobicContact CB-CB 3.97Å; C190-V219 HydrophobicContact CB-CG1 4.4Å; C190-V219 VanDerWaalsContact SG-CG1 3.54Å
191G98.8Very high98.2Very high0 Ų014.5 Ų14.50%09%0.094CC..EExtended strand (participates in β ladder)trans-173.1159.6175.900000113Y118 V219 I221Y118-G191 WeakPolarHBondContact O-CA 3.45Å; G191-V219 PolarHBondContact N-O 2.87Å; G191-V219 VanDerWaalsContact N-O 3.14Å; G191-I221 PolarHBondContact O-N 2.66Å
192D98.6Very high98.3Very high2 Ų212.9 Ų12.91%0.0118%0.078CC..EExtended strand (participates in β ladder)trans-119.7146.3-177.381.4-63.3000112.9G120 Y131 I194 G195 G196 I221 Y222G120-D192 WeakPolarHBondContact CA-O 3.31Å; G120-D192 WeakPolarHBondContact CA-OD1 3.4Å; G120-D192 PolarHBondContact N-O 3.49Å; G120-D192 PolarHBondContact N-OD1 2.84Å; Y131-D192 WeakPolarHBondContact CE1-OD1 3.34Å; Y131-D192 PolarHBondContact OH-OD1 3.44Å; Y131-D192 VanDerWaalsContact OH-OD1 3.04Å; Y131-D192 PolarHBondContact OH-OD2 3.24Å; D192-I194 PolarHBondContact O-N 2.97Å; D192-G195 VanDerWaalsContact O-CA 3.29Å; D192-G195 WeakPolarHBondContact O-CA 3.36Å; D192-G195 PolarHBondContact O-N 2.96Å; D192-G196 PolarHBondContact O-N 3.15Å; D192-I221 CarbonylContact C-O 3.59Å; D192-I221 VanDerWaalsContact CA-O 3.3Å; D192-I221 WeakPolarHBondContact CA-O 3.42Å; D192-I221 HydrophobicContact CB-CB 3.74Å; D192-I221 HydrophobicContact CB-CD1 4.06Å; D192-I221 HydrophobicContact CB-CG1 4.47Å; D192-I221 HydrophobicContact CB-CG2 4.15Å; D192-Y222 HydrophobicContact CB-CE2 3.68Å; D192-Y222 PolarHBondContact OD2-OH 3Å
193S98.4Very high98.3Very high10 Ų1013 Ų137%0.078%0.078CC..THydrogen-bonded Turntrans55.6-122.2179.5-176.90000111G195 G196 A197 I221 P223 L224 H377S193-G195 PolarHBondContact O-N 2.94Å; S193-G196 WeakPolarHBondContact O-CA 3.1Å; S193-G196 PolarHBondContact O-N 2.96Å; S193-A197 PolarHBondContact O-N 3.31Å; S193-A197 VanDerWaalsContact O-N 3.15Å; S193-I221 PolarHBondContact N-O 2.95Å; S193-P223 WeakPolarHBondContact O-CA 3.27Å; S193-L224 PolarHBondContact O-N 3.15Å; S193-H377 VanDerWaalsContact CB-CE1 3.48Å; S193-H377 WeakPolarHBondContact CB-CE1 3.49Å; S193-H377 WeakPolarHBondContact CB-NE2 3.33Å; S193-H377 PolarHBondContact OG-CE1 3.43Å; S193-H377 PolarHBondContact OG-NE2 3.29Å
194I98Very high98.3Very high14 Ų1411.7 Ų11.77%0.0727%0.071CC..Hα-helixtrans-61.5-29.1172.1-165.2161.8000113.2T123 L162 D192 G196 A197 V198T123-I194 HydrophobicContact CG2-CD1 3.53Å; L162-I194 HydrophobicContact CD1-CD1 4.13Å; L162-I194 HydrophobicContact CD1-CG1 4.31Å; D192-I194 PolarHBondContact O-N 2.97Å; I194-G196 PolarHBondContact O-N 2.86Å; I194-A197 HydrophobicContact CG1-CB 4.4Å; I194-A197 WeakPolarHBondContact O-CA 3.3Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.43Å; I194-A197 VanDerWaalsContact O-N 3.08Å; I194-V198 WeakPolarHBondContact O-CG2 3.12Å; I194-V198 PolarHBondContact O-N 3.37Å
195G98.6Very high98.4Very high0 Ų011 Ų110%07%0.071CC..Hα-helixtrans-65-30.2169.800000112.1Y118 D192 S193 V198 V199Y118-G195 WeakPolarHBondContact O-CA 3.3Å; D192-G195 VanDerWaalsContact O-CA 3.29Å; D192-G195 WeakPolarHBondContact O-CA 3.36Å; D192-G195 PolarHBondContact O-N 2.96Å; S193-G195 PolarHBondContact O-N 2.94Å; G195-V198 WeakPolarHBondContact O-CB 3.39Å; G195-V198 PolarHBondContact O-N 3.02Å; G195-V199 WeakPolarHBondContact O-CG2 3.33Å; G195-V199 PolarHBondContact O-N 2.87Å
196G98.6Very high98.4Very high0 Ų08.7 Ų8.70%05%0.053CC..Hα-helixtrans-68.2-35.7168.500000112.6D192 S193 I194 V198 V199 A200D192-G196 PolarHBondContact O-N 3.15Å; S193-G196 WeakPolarHBondContact O-CA 3.1Å; S193-G196 PolarHBondContact O-N 2.96Å; I194-G196 PolarHBondContact O-N 2.86Å; G196-V198 VanDerWaalsContact C-N 3.31Å; G196-V198 PolarHBondContact O-N 3.13Å; G196-V199 WeakPolarHBondContact O-CB 3.45Å; G196-V199 PolarHBondContact O-N 3.45Å; G196-A200 PolarHBondContact O-N 3.35Å; G196-A200 VanDerWaalsContact O-N 3.17Å
197A98.3Very high98.4Very high8 Ų88.5 Ų8.57%0.0666%0.057CC..Hα-helixtrans-58.2-46.4169.600000110.9S193 I194 V199 A200 A201 L224S193-A197 PolarHBondContact O-N 3.31Å; S193-A197 VanDerWaalsContact O-N 3.15Å; I194-A197 HydrophobicContact CG1-CB 4.4Å; I194-A197 WeakPolarHBondContact O-CA 3.3Å; I194-A197 WeakPolarHBondContact O-CB 3.47Å; I194-A197 PolarHBondContact O-N 3.43Å; I194-A197 VanDerWaalsContact O-N 3.08Å; A197-V199 VanDerWaalsContact C-N 3.35Å; A197-V199 PolarHBondContact O-N 3.3Å; A197-A200 PolarHBondContact O-N 3.46Å; A197-A200 VanDerWaalsContact O-N 3.15Å; A197-A201 WeakPolarHBondContact O-CB 3.32Å; A197-A201 PolarHBondContact O-N 3.12Å; A197-L224 WeakPolarHBondContact CA-O 3.07Å; A197-L224 WeakPolarHBondContact CB-O 3.48Å
198V98.8Very high98.1Very high5 Ų511.8 Ų11.83%0.039%0.09CC..Hα-helixtrans-61.8-41.2178.1175.40000112Y118 L162 C166 I194 G195 G196 A200 A201 I202Y118-V198 HydrophobicContact CD1-CG1 3.49Å; Y118-V198 VanDerWaalsContact CD1-CG1 3.49Å; Y118-V198 HydrophobicContact CD2-CB 4.39Å; Y118-V198 HydrophobicContact CD2-CG1 3.88Å; Y118-V198 HydrophobicContact CE1-CG1 3.81Å; Y118-V198 HydrophobicContact CE2-CG1 4.16Å; Y118-V198 HydrophobicContact CG-CB 4.11Å; Y118-V198 HydrophobicContact CG-CG1 3.51Å; L162-V198 HydrophobicContact CD2-CG2 3.19Å; L162-V198 HydrophobicContact CG-CG2 4.25Å; C166-V198 HydrophobicContact CB-CG1 3.54Å; I194-V198 WeakPolarHBondContact O-CG2 3.12Å; I194-V198 PolarHBondContact O-N 3.37Å; G195-V198 WeakPolarHBondContact O-CB 3.39Å; G195-V198 PolarHBondContact O-N 3.02Å; G196-V198 VanDerWaalsContact C-N 3.31Å; G196-V198 PolarHBondContact O-N 3.13Å; V198-A200 VanDerWaalsContact C-N 3.32Å; V198-A200 PolarHBondContact O-N 3.42Å; V198-A201 PolarHBondContact O-N 3.15Å; V198-I202 HydrophobicContact CG1-CD1 3.44Å; V198-I202 VanDerWaalsContact CG1-CD1 3.44Å; V198-I202 HydrophobicContact CG1-CG1 4.05Å; V198-I202 VanDerWaalsContact O-CB 3.31Å; V198-I202 WeakPolarHBondContact O-CB 3.37Å; V198-I202 WeakPolarHBondContact O-CG1 3.49Å; V198-I202 PolarHBondContact O-N 3.47Å
199V98.9Very high98Very high0 Ų016 Ų160%011%0.106CC..Hα-helixtrans-54-51172.7165.50000110.7Y118 V189 G195 G196 A197 T203 Q218 L220Y118-V199 HydrophobicContact CD2-CG2 3.6Å; Y118-V199 HydrophobicContact CE2-CG2 3.97Å; V189-V199 HydrophobicContact CB-CG1 4.49Å; V189-V199 HydrophobicContact CB-CG2 4.44Å; V189-V199 HydrophobicContact CG2-CG1 3.7Å; V189-V199 HydrophobicContact CG2-CG2 4.48Å; G195-V199 WeakPolarHBondContact O-CG2 3.33Å; G195-V199 PolarHBondContact O-N 2.87Å; G196-V199 WeakPolarHBondContact O-CB 3.45Å; G196-V199 PolarHBondContact O-N 3.45Å; A197-V199 VanDerWaalsContact C-N 3.35Å; A197-V199 PolarHBondContact O-N 3.3Å; V199-T203 WeakPolarHBondContact O-CB 3.42Å; V199-T203 VanDerWaalsContact O-CG2 3.27Å; V199-T203 WeakPolarHBondContact O-CG2 3.17Å; V199-T203 PolarHBondContact O-N 3.45Å; V199-T203 PolarHBondContact O-OG1 2.69Å; V199-Q218 HydrophobicContact CG1-CB 3.63Å; V199-L220 HydrophobicContact CB-CD2 4.48Å; V199-L220 HydrophobicContact CB-CG 4.4Å; V199-L220 HydrophobicContact CG1-CD1 4.39Å; V199-L220 HydrophobicContact CG1-CD2 4.15Å; V199-L220 HydrophobicContact CG1-CG 3.83Å
200A98.8Very high97.8Very high0 Ų021.9 Ų21.90%015%0.147CC..Hα-helixtrans-64-51.7-179.500000111.3G196 A197 V198 I202 T203 Q204 L220 P325 Y356G196-A200 PolarHBondContact O-N 3.35Å; G196-A200 VanDerWaalsContact O-N 3.17Å; A197-A200 PolarHBondContact O-N 3.46Å; A197-A200 VanDerWaalsContact O-N 3.15Å; V198-A200 VanDerWaalsContact C-N 3.32Å; V198-A200 PolarHBondContact O-N 3.42Å; A200-I202 PolarHBondContact O-N 3.46Å; A200-T203 PolarHBondContact O-N 3.26Å; A200-T203 PolarHBondContact O-OG1 3.4Å; A200-Q204 WeakPolarHBondContact O-CB 3.47Å; A200-Q204 WeakPolarHBondContact O-CG 3.41Å; A200-Q204 PolarHBondContact O-N 3.03Å; A200-L220 HydrophobicContact CB-CD2 3.95Å; A200-P325 HydrophobicContact CB-CB 3.66Å; A200-P325 HydrophobicContact CB-CG 3.71Å; A200-Y356 HydrophobicContact CB-CE1 4.07Å; A200-Y356 HydrophobicContact CB-CE2 4.46Å; A200-Y356 WeakPolarHBondContact CB-OH 3.47Å
201A98.6Very high97.7Very high4 Ų425.8 Ų25.83%0.03317%0.167CC..Hα-helixtrans-61.6-42.7-177.600000112.8F163 A197 V198 A205 P325F163-A201 HydrophobicContact CD2-CB 4.02Å; F163-A201 HydrophobicContact CE2-CB 3.83Å; A197-A201 WeakPolarHBondContact O-CB 3.32Å; A197-A201 PolarHBondContact O-N 3.12Å; V198-A201 PolarHBondContact O-N 3.15Å; A201-A205 WeakPolarHBondContact O-CB 3.36Å; A201-A205 PolarHBondContact O-N 2.98Å; A201-P325 HydrophobicContact CB-CB 4.44Å
202I98.4Very high97.6Very high1 Ų126.5 Ų26.51%0.00517%0.171CC..Hα-helixtrans-70-42.8179.1-70.7178.8000111.1Y118 F163 C166 M167 V198 A200 Q204 A205 L206Y118-I202 HydrophobicContact CD1-CD1 4.49Å; Y118-I202 HydrophobicContact CE1-CD1 3.62Å; Y118-I202 HydrophobicContact CE2-CD1 4.45Å; Y118-I202 WeakPolarHBondContact OH-CD1 3.33Å; F163-I202 HydrophobicContact CD2-CG1 4.39Å; F163-I202 HydrophobicContact CE2-CG1 4.07Å; C166-I202 VanDerWaalsContact C-CD1 3.46Å; C166-I202 HydrophobicContact CB-CD1 3.47Å; C166-I202 VanDerWaalsContact CB-CD1 3.47Å; M167-I202 HydrophobicContact CE-CB 4.27Å; M167-I202 HydrophobicContact CE-CG1 4.04Å; M167-I202 HydrophobicContact CE-CG2 4.12Å; M167-I202 HydrophobicContact SD-CG2 4.31Å; V198-I202 HydrophobicContact CG1-CD1 3.44Å; V198-I202 VanDerWaalsContact CG1-CD1 3.44Å; V198-I202 HydrophobicContact CG1-CG1 4.05Å; V198-I202 VanDerWaalsContact O-CB 3.31Å; V198-I202 WeakPolarHBondContact O-CB 3.37Å; V198-I202 WeakPolarHBondContact O-CG1 3.49Å; V198-I202 PolarHBondContact O-N 3.47Å; A200-I202 PolarHBondContact O-N 3.46Å; I202-Q204 VanDerWaalsContact C-N 3.28Å; I202-Q204 PolarHBondContact O-N 2.89Å; I202-A205 PolarHBondContact O-N 3.17Å; I202-L206 HydrophobicContact CG2-CD1 3.69Å; I202-L206 HydrophobicContact CG2-CG 4.06Å; I202-L206 WeakPolarHBondContact O-CB 3.43Å; I202-L206 VanDerWaalsContact O-CG 3.23Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.4Å
203T98.4Very high97.5Very high5 Ų528.3 Ų28.33%0.03118%0.183CC..Hα-helixtrans-63.1-38.7178.950.10000111.7V189 V199 A200 L206 V207 I215 Q218 P337V189-T203 HydrophobicContact CG2-CG2 3.51Å; V199-T203 WeakPolarHBondContact O-CB 3.42Å; V199-T203 VanDerWaalsContact O-CG2 3.27Å; V199-T203 WeakPolarHBondContact O-CG2 3.17Å; V199-T203 PolarHBondContact O-N 3.45Å; V199-T203 PolarHBondContact O-OG1 2.69Å; A200-T203 PolarHBondContact O-N 3.26Å; A200-T203 PolarHBondContact O-OG1 3.4Å; T203-L206 PolarHBondContact O-N 3.5Å; T203-V207 PolarHBondContact O-N 3.01Å; T203-I215 HydrophobicContact CG2-CG2 4.32Å; T203-Q218 HydrophobicContact CG2-CB 4.24Å; T203-Q218 PolarHBondContact OG1-OE1 3.48Å; T203-P337 HydrophobicContact CG2-CG 4.5Å
204Q98.6Very high97.3Very high11 Ų1138.5 Ų38.55%0.05122%0.22CC..Hα-helixtrans-61.7-48.9172-69.8169.36.700112A200 I202 L206 V207 V321 P325 A328 V332 I333 L336 Y356A200-Q204 WeakPolarHBondContact O-CB 3.47Å; A200-Q204 WeakPolarHBondContact O-CG 3.41Å; A200-Q204 PolarHBondContact O-N 3.03Å; I202-Q204 VanDerWaalsContact C-N 3.28Å; I202-Q204 PolarHBondContact O-N 2.89Å; Q204-L206 PolarHBondContact O-N 3.02Å; Q204-V207 VanDerWaalsContact O-CB 3.28Å; Q204-V207 WeakPolarHBondContact O-CB 3.47Å; Q204-V207 WeakPolarHBondContact O-CG2 3.45Å; Q204-V207 PolarHBondContact O-N 3.01Å; Q204-V207 VanDerWaalsContact O-N 3.13Å; Q204-V321 VanDerWaalsContact OE1-CG1 3.31Å; Q204-P325 PolarHBondContact NE2-O 3.14Å; Q204-P325 PolarHBondContact OE1-O 3.48Å; Q204-A328 HydrophobicContact CG-CB 4.46Å; Q204-V332 HydrophobicContact CB-CG1 3.74Å; Q204-V332 HydrophobicContact CG-CG1 3.95Å; Q204-I333 HydrophobicContact CG-CD1 4.48Å; Q204-L336 HydrophobicContact CB-CD2 4.45Å; Q204-L336 HydrophobicContact CG-CD1 4.04Å; Q204-L336 HydrophobicContact CG-CD2 3.86Å; Q204-L336 HydrophobicContact CG-CG 4.48Å; Q204-Y356 PolarHBondContact NE2-OH 3.31Å; Q204-Y356 VanDerWaalsContact NE2-OH 3.12Å
205A98.1Very high97.3Very high51 Ų5138.8 Ų38.842%0.42122%0.221SC..Hα-helixtrans-71.4-15.9-178.800000114.3F163 M167 A201 I202F163-A205 HydrophobicContact CZ-CB 3.98Å; M167-A205 HydrophobicContact CE-CB 3.35Å; A201-A205 WeakPolarHBondContact O-CB 3.36Å; A201-A205 PolarHBondContact O-N 2.98Å; I202-A205 PolarHBondContact O-N 3.17Å
206L97.7Very high97.3Very high22 Ų2242.5 Ų42.512%0.11524%0.235CC..THydrogen-bonded Turntrans-88.5-6.7172.6-68.4179.5000113.3M167 I171 L174 I202 T203 Q204 G208 R209 L212 I215M167-L206 HydrophobicContact SD-CD2 3.9Å; M167-L206 HydrophobicContact SD-CG 4.35Å; I171-L206 HydrophobicContact CG1-CD2 4.23Å; L174-L206 HydrophobicContact CD1-CD1 3.93Å; I202-L206 HydrophobicContact CG2-CD1 3.69Å; I202-L206 HydrophobicContact CG2-CG 4.06Å; I202-L206 WeakPolarHBondContact O-CB 3.43Å; I202-L206 VanDerWaalsContact O-CG 3.23Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 3.4Å; T203-L206 PolarHBondContact O-N 3.5Å; Q204-L206 PolarHBondContact O-N 3.02Å; L206-G208 PolarHBondContact O-N 3.14Å; L206-R209 HydrophobicContact CD2-CG 4.37Å; L206-R209 WeakPolarHBondContact O-CB 3.37Å; L206-R209 PolarHBondContact O-N 3.44Å; L206-R209 VanDerWaalsContact O-N 3.14Å; L206-L212 HydrophobicContact CD2-CD1 3.7Å; L206-I215 HydrophobicContact CD1-CG1 4.37Å
207V96.1Very high97.3Very high38 Ų3842.5 Ų42.523%0.2324%0.235CC..THydrogen-bonded Turntrans-56.4133174.1172.30000109.7T203 Q204 R209 V332 Q335 L336T203-V207 PolarHBondContact O-N 3.01Å; Q204-V207 VanDerWaalsContact O-CB 3.28Å; Q204-V207 WeakPolarHBondContact O-CB 3.47Å; Q204-V207 WeakPolarHBondContact O-CG2 3.45Å; Q204-V207 PolarHBondContact O-N 3.01Å; Q204-V207 VanDerWaalsContact O-N 3.13Å; V207-R209 VanDerWaalsContact C-N 3.27Å; V207-R209 PolarHBondContact O-N 3.45Å; V207-V332 HydrophobicContact CG2-CG1 4.13Å; V207-Q335 HydrophobicContact CG1-CB 3.67Å; V207-Q335 HydrophobicContact CG1-CG 4.15Å; V207-Q335 VanDerWaalsContact CG1-OE1 3.27Å; V207-Q335 HydrophobicContact CG2-CB 4.09Å; V207-L336 HydrophobicContact CG2-CD2 4.09Å
208G92.5Very high97.3Very high69 Ų6942.1 Ų42.171%0.71123%0.232SC*.THydrogen-bonded Turntrans77.9-3.6179.900000115.9L206 S210L206-G208 PolarHBondContact O-N 3.14Å; G208-S210 PolarHBondContact O-N 3.03Å
209R95.4Very high97.3Very high93 Ų9342 Ų4235%0.35123%0.231SC..  trans-74.991.8175.8-69.2-70.2-62.4-100.8-3.4111.5L206 V207 D211 L212L206-R209 HydrophobicContact CD2-CG 4.37Å; L206-R209 WeakPolarHBondContact O-CB 3.37Å; L206-R209 PolarHBondContact O-N 3.44Å; L206-R209 VanDerWaalsContact O-N 3.14Å; V207-R209 VanDerWaalsContact C-N 3.27Å; V207-R209 PolarHBondContact O-N 3.45Å; R209-D211 VanDerWaalsContact C-N 3.26Å; R209-D211 IonicContact CZ-OD1 2.96Å; R209-D211 IonicContact CZ-OD2 3.46Å; R209-D211 IonicContact NE-OD1 3.15Å; R209-D211 PolarHBondContact NE-OD1 2.89Å; R209-D211 IonicContact NE-OD2 2.75Å; R209-D211 IonicContact NH2-OD1 3.86Å; R209-D211 PolarHBondContact NH2-OD1 2.94Å; R209-D211 IonicContact NH2-OD2 3.9Å; R209-D211 PolarHBondContact NH2-OD2 3.37Å; R209-D211 PolarHBondContact O-N 2.96Å; R209-L212 HydrophobicContact CB-CD1 4.26Å; R209-L212 PolarHBondContact O-N 3.31Å
210S94.7Very high97.3Very high124 Ų12442 Ų4287%0.86723%0.231SC*.THydrogen-bonded Turntrans-74.4-12.8178.861.90000114.2G208 L212G208-S210 PolarHBondContact O-N 3.03Å; S210-L212 PolarHBondContact O-N 2.83Å
211D96.5Very high97.3Very high84 Ų8442 Ų4245%0.44923%0.231SC..THydrogen-bonded Turntrans-79.6-2.6176.267.8-56.6000113.4K175 R209K175-D211 IonicContact NZ-OD2 3.61Å; R209-D211 VanDerWaalsContact C-N 3.26Å; R209-D211 IonicContact CZ-OD1 2.96Å; R209-D211 IonicContact CZ-OD2 3.46Å; R209-D211 IonicContact NE-OD1 3.15Å; R209-D211 PolarHBondContact NE-OD1 2.89Å; R209-D211 IonicContact NE-OD2 2.75Å; R209-D211 IonicContact NH2-OD1 3.86Å; R209-D211 PolarHBondContact NH2-OD1 2.94Å; R209-D211 IonicContact NH2-OD2 3.9Å; R209-D211 PolarHBondContact NH2-OD2 3.37Å; R209-D211 PolarHBondContact O-N 2.96Å
212L97.4Very high97.3Very high16 Ų1641.8 Ų41.88%0.08423%0.23CC..SBendtrans-127.7149-176.4-62.6173000111.6I171 L174 K175 L206 R209 S210I171-L212 HydrophobicContact CG1-CD1 3.96Å; I171-L212 HydrophobicContact CG2-CD1 4.43Å; I171-L212 HydrophobicContact CG2-CD2 4.28Å; L174-L212 HydrophobicContact CB-CD2 4.13Å; K175-L212 HydrophobicContact CD-CD2 4.3Å; K175-L212 HydrophobicContact CG-CD2 3.58Å; L206-L212 HydrophobicContact CD2-CD1 3.7Å; R209-L212 HydrophobicContact CB-CD1 4.26Å; R209-L212 PolarHBondContact O-N 3.31Å; S210-L212 PolarHBondContact O-N 2.83Å
213P96.3Very high97.3Very high39 Ų3941.8 Ų41.825%0.25323%0.23SC..PPolyproline II helixtrans-56.2142.8166.7-24.935.1000111.8L174 L177 P184L174-P213 WeakPolarHBondContact O-CD 3.33Å; L177-P213 HydrophobicContact CD1-CB 4.14Å; L177-P213 HydrophobicContact CD1-CG 3.78Å; P184-P213 HydrophobicContact CB-CB 3.82Å; P184-P213 HydrophobicContact CB-CG 3.86Å
214R95.2Very high97.3Very high224 Ų22442.1 Ų42.185%0.84523%0.231SC*.PPolyproline II helixtrans-70.5136.4174.8-67.7-173.5-179.5-175.6-0.7110.2R216R214-R216 PolarHBondContact O-N 2.83Å
215I98.1Very high97.3Very high20 Ų2041.6 Ų41.610%0.10323%0.229CC..PPolyproline II helixtrans-64.7126.9167.4-61-52.6000108.6L174 V187 V189 T203 L206 A217 P337L174-I215 HydrophobicContact CD1-CD1 4.15Å; L174-I215 HydrophobicContact CD2-CD1 3.88Å; V187-I215 HydrophobicContact CB-CD1 4.47Å; V187-I215 HydrophobicContact CG1-CD1 4.02Å; V189-I215 HydrophobicContact CG1-CD1 3.85Å; V189-I215 HydrophobicContact CG1-CG1 4.2Å; V189-I215 HydrophobicContact CG1-CG2 4.13Å; V189-I215 HydrophobicContact CG2-CG2 3.87Å; T203-I215 HydrophobicContact CG2-CG2 4.32Å; L206-I215 HydrophobicContact CD1-CG1 4.37Å; I215-A217 VanDerWaalsContact CG2-O 3.23Å; I215-A217 WeakPolarHBondContact CG2-O 3.21Å; I215-P337 HydrophobicContact CB-CG 4.33Å; I215-P337 HydrophobicContact CG2-CG 4.01Å; I215-P337 VanDerWaalsContact O-CB 3.29Å; I215-P337 WeakPolarHBondContact O-CB 3.2Å
216R98.1Very high97.3Very high79 Ų7939.2 Ų39.230%0.29821%0.209SC..  trans-73.2-40.8-177.6178.362.8-168.983.45.3111.9S185 V187 R214 E338S185-R216 WeakPolarHBondContact O-CB 3.3Å; S185-R216 WeakPolarHBondContact O-CD 3.12Å; V187-R216 WeakPolarHBondContact O-CB 3.17Å; V187-R216 PolarHBondContact O-N 3.43Å; R214-R216 PolarHBondContact O-N 2.83Å; R216-E338 IonicContact CZ-OE1 3.72Å; R216-E338 IonicContact NH1-OE1 3.37Å; R216-E338 PolarHBondContact NH1-OE1 3.49Å; R216-E338 IonicContact NH2-OE1 2.76Å; R216-E338 PolarHBondContact NH2-OE1 3.41Å
217A98.6Very high97.2Very high0 Ų038.4 Ų38.40%021%0.205CC..EExtended strand (participates in β ladder)trans-156.6157.2-179.900000111.7V188 V189 I215 E338 Y403 I407V188-A217 WeakPolarHBondContact CA-O 3.17Å; V188-A217 HydrophobicContact CG2-CB 4.42Å; V189-A217 PolarHBondContact N-O 2.88Å; V189-A217 VanDerWaalsContact N-O 3.13Å; I215-A217 VanDerWaalsContact CG2-O 3.23Å; I215-A217 WeakPolarHBondContact CG2-O 3.21Å; A217-E338 CarbonylContact C-O 3.53Å; A217-E338 WeakPolarHBondContact CA-O 3.38Å; A217-E338 HydrophobicContact CB-CG 4.05Å; A217-E338 WeakPolarHBondContact CB-O 3.39Å; A217-Y403 HydrophobicContact CB-CE1 3.92Å; A217-I407 HydrophobicContact CB-CD1 3.52Å
218Q98.8Very high97.1Very high0 Ų036.6 Ų36.60%019%0.194CC..EExtended strand (participates in β ladder)trans-116134.4171.260.4-178.9-53.400111.4V189 V199 T203 L220 P337 E338 S339 F340V189-Q218 HydrophobicContact CG2-CB 3.74Å; V199-Q218 HydrophobicContact CG1-CB 3.63Å; T203-Q218 HydrophobicContact CG2-CB 4.24Å; T203-Q218 PolarHBondContact OG1-OE1 3.48Å; Q218-L220 HydrophobicContact CB-CD1 4.25Å; Q218-L220 HydrophobicContact CG-CD1 3.79Å; Q218-P337 HydrophobicContact CB-CG 4.41Å; Q218-P337 HydrophobicContact CG-CG 4.31Å; Q218-P337 PolarHBondContact NE2-O 3.3Å; Q218-E338 PolarHBondContact N-O 3.02Å; Q218-S339 VanDerWaalsContact CD-OG 3.24Å; Q218-S339 WeakPolarHBondContact CG-OG 3.09Å; Q218-S339 PolarHBondContact NE2-OG 2.85Å; Q218-S339 VanDerWaalsContact NE2-OG 3.08Å; Q218-S339 CarbonylContact O-C 3.58Å; Q218-S339 WeakPolarHBondContact O-CA 3.31Å; Q218-F340 PolarHBondContact O-N 3.35Å
219V98.9Very high97.2Very high2 Ų233.6 Ų33.61%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-115.7111.2179.3175.50000108.2V188 V189 C190 G191 I221 F340 I400 Y403V188-V219 HydrophobicContact CG1-CG2 3.69Å; V189-V219 PolarHBondContact O-N 2.9Å; C190-V219 WeakPolarHBondContact CA-O 3.42Å; C190-V219 HydrophobicContact CB-CB 3.97Å; C190-V219 HydrophobicContact CB-CG1 4.4Å; C190-V219 VanDerWaalsContact SG-CG1 3.54Å; G191-V219 PolarHBondContact N-O 2.87Å; G191-V219 VanDerWaalsContact N-O 3.14Å; V219-I221 HydrophobicContact CG1-CG1 4.22Å; V219-F340 WeakPolarHBondContact CA-O 3.49Å; V219-F340 HydrophobicContact CG1-CD1 4.14Å; V219-F340 HydrophobicContact CG2-CB 4.24Å; V219-I400 HydrophobicContact CG1-CG1 4.06Å; V219-I400 HydrophobicContact CG1-CG2 4.14Å; V219-Y403 HydrophobicContact CG2-CD1 3.9Å; V219-Y403 HydrophobicContact CG2-CE1 3.93Å
220L98.9Very high97.2Very high0 Ų029.2 Ų29.20%015%0.146CC..EExtended strand (participates in β ladder)trans-113.8117.9-177.2-53.198.2000110.1V199 A200 Q218 P223 F340 L341 V342 Y356V199-L220 HydrophobicContact CB-CD2 4.48Å; V199-L220 HydrophobicContact CB-CG 4.4Å; V199-L220 HydrophobicContact CG1-CD1 4.39Å; V199-L220 HydrophobicContact CG1-CD2 4.15Å; V199-L220 HydrophobicContact CG1-CG 3.83Å; A200-L220 HydrophobicContact CB-CD2 3.95Å; Q218-L220 HydrophobicContact CB-CD1 4.25Å; Q218-L220 HydrophobicContact CG-CD1 3.79Å; L220-P223 HydrophobicContact CB-CB 4.1Å; L220-P223 HydrophobicContact CB-CG 3.84Å; L220-P223 HydrophobicContact CD2-CB 4.18Å; L220-P223 HydrophobicContact CD2-CG 4.25Å; L220-F340 PolarHBondContact N-O 3.3Å; L220-L341 HydrophobicContact CB-CD2 4.41Å; L220-L341 HydrophobicContact CB-CG 4.39Å; L220-L341 HydrophobicContact CD1-CG 4.18Å; L220-L341 WeakPolarHBondContact O-CA 3.39Å; L220-V342 PolarHBondContact O-N 3.1Å; L220-Y356 HydrophobicContact CD1-CE1 4.41Å; L220-Y356 HydrophobicContact CD2-CD1 4Å; L220-Y356 HydrophobicContact CD2-CE1 3.7Å
221I98.8Very high97.3Very high0 Ų024.1 Ų24.10%011%0.108CC..EExtended strand (participates in β ladder)trans-107.1109.3-175.7-47.2160.1000108G191 D192 S193 V219 P223 V342 I380 I396 I400G191-I221 PolarHBondContact O-N 2.66Å; D192-I221 CarbonylContact C-O 3.59Å; D192-I221 VanDerWaalsContact CA-O 3.3Å; D192-I221 WeakPolarHBondContact CA-O 3.42Å; D192-I221 HydrophobicContact CB-CB 3.74Å; D192-I221 HydrophobicContact CB-CD1 4.06Å; D192-I221 HydrophobicContact CB-CG1 4.47Å; D192-I221 HydrophobicContact CB-CG2 4.15Å; S193-I221 PolarHBondContact N-O 2.95Å; V219-I221 HydrophobicContact CG1-CG1 4.22Å; I221-P223 VanDerWaalsContact C-N 3.3Å; I221-V342 HydrophobicContact CB-CB 4.49Å; I221-V342 HydrophobicContact CG2-CB 4.07Å; I221-V342 HydrophobicContact CG2-CG1 4.29Å; I221-I380 HydrophobicContact CD1-CD1 3.71Å; I221-I380 HydrophobicContact CG2-CD1 4.36Å; I221-I396 HydrophobicContact CG2-CG2 3.95Å; I221-I400 HydrophobicContact CD1-CD1 3.47Å; I221-I400 VanDerWaalsContact CD1-CD1 3.47Å; I221-I400 HydrophobicContact CG1-CD1 3.91Å
222Y98.5Very high97.3Very high0 Ų020.2 Ų20.20%09%0.087CC..SBendtrans38.254.7-174.440.3-112.7000113D192 V342 C344 D347 H377 I380 I396D192-Y222 HydrophobicContact CB-CE2 3.68Å; D192-Y222 PolarHBondContact OD2-OH 3Å; Y222-V342 WeakPolarHBondContact CA-O 3.16Å; Y222-V342 PolarHBondContact N-O 3.23Å; Y222-C344 VanDerWaalsContact CD1-SG 3.57Å; Y222-D347 WeakPolarHBondContact CB-OD2 3.19Å; Y222-H377 AromaticContact CD2-CE1 3.79Å; Y222-H377 AromaticContact CD2-ND1 3.95Å; Y222-I380 VanDerWaalsContact OH-CB 3.28Å; Y222-I380 WeakPolarHBondContact OH-CB 3.44Å; Y222-I380 WeakPolarHBondContact OH-CG2 3.25Å; Y222-I380 PolarHBondContact OH-N 2.91Å; Y222-I396 HydrophobicContact CE1-CD1 4.15Å
223P98.6Very high97.3Very high0 Ų019.4 Ų19.40%08%0.083CC..  trans-66.3147.9-168.330.5-40.2000112.9S193 L220 I221 V225 L341 D352 S353S193-P223 WeakPolarHBondContact O-CA 3.27Å; L220-P223 HydrophobicContact CB-CB 4.1Å; L220-P223 HydrophobicContact CB-CG 3.84Å; L220-P223 HydrophobicContact CD2-CB 4.18Å; L220-P223 HydrophobicContact CD2-CG 4.25Å; I221-P223 VanDerWaalsContact C-N 3.3Å; P223-V225 HydrophobicContact CB-CG1 3.8Å; P223-V225 HydrophobicContact CG-CG1 3.96Å; P223-L341 HydrophobicContact CG-CD2 4.41Å; P223-D352 WeakPolarHBondContact O-CB 3.43Å; P223-S353 WeakPolarHBondContact CD-OG 3.44Å
224L98.2Very high97.3Very high13 Ų1317.6 Ų17.67%0.0687%0.071CC..  trans-87.8102.9164178.967.4000108S193 A197 Q226 V227 L249 L349S193-L224 PolarHBondContact O-N 3.15Å; A197-L224 WeakPolarHBondContact CA-O 3.07Å; A197-L224 WeakPolarHBondContact CB-O 3.48Å; L224-Q226 VanDerWaalsContact CD1-O 3.28Å; L224-Q226 WeakPolarHBondContact CD1-O 3.29Å; L224-V227 HydrophobicContact CD1-CG1 4.11Å; L224-V227 HydrophobicContact CD2-CG1 3.88Å; L224-V227 HydrophobicContact CG-CG1 4.05Å; L224-L249 HydrophobicContact CD1-CD1 3.93Å; L224-L249 HydrophobicContact CD1-CD2 4.31Å; L224-L249 HydrophobicContact CD2-CD1 4.05Å; L224-L349 HydrophobicContact CB-CD1 3.87Å; L224-L349 HydrophobicContact CD1-CD1 4.21Å; L224-L349 HydrophobicContact CD1-CD2 3.6Å
225V98.1Very high97.4Very high0 Ų06.9 Ų6.90%03%0.031CC..  trans-109.6-1.2-174.5-62.20000113.6P223 S324 P325 L326 D352 Y356P223-V225 HydrophobicContact CB-CG1 3.8Å; P223-V225 HydrophobicContact CG-CG1 3.96Å; V225-S324 CarbonylContact O-C 3.52Å; V225-S324 VanDerWaalsContact O-CA 3.29Å; V225-S324 WeakPolarHBondContact O-CA 3.43Å; V225-P325 HydrophobicContact CB-CG 4.17Å; V225-P325 HydrophobicContact CG1-CG 4.36Å; V225-P325 VanDerWaalsContact O-CD 3.3Å; V225-P325 WeakPolarHBondContact O-CD 3.38Å; V225-P325 VanDerWaalsContact O-N 3.15Å; V225-L326 HydrophobicContact CB-CB 3.99Å; V225-L326 HydrophobicContact CG2-CB 3.83Å; V225-L326 HydrophobicContact CG2-CD1 3.64Å; V225-L326 HydrophobicContact CG2-CG 4.37Å; V225-L326 VanDerWaalsContact O-CB 3.25Å; V225-L326 WeakPolarHBondContact O-CB 3.49Å; V225-L326 PolarHBondContact O-N 3.3Å; V225-D352 HydrophobicContact CG2-CB 3.87Å; V225-D352 WeakPolarHBondContact CG2-O 3.21Å; V225-D352 PolarHBondContact N-OD1 3.04Å; V225-Y356 HydrophobicContact CB-CD2 4.37Å; V225-Y356 HydrophobicContact CG1-CD1 4.35Å; V225-Y356 HydrophobicContact CG1-CD2 4.2Å; V225-Y356 HydrophobicContact CG1-CG 4.01Å
226Q97.3Very high97.3Very high0 Ų07.4 Ų7.40%03%0.033CC..  trans-157.1155174.36383.618.400109.5L224 F228 C229 Y235 L285 S324 D352L224-Q226 VanDerWaalsContact CD1-O 3.28Å; L224-Q226 WeakPolarHBondContact CD1-O 3.29Å; Q226-F228 HydrophobicContact CB-CE1 4.46Å; Q226-C229 PolarHBondContact NE2-O 3.21Å; Q226-Y235 PolarHBondContact NE2-OH 2.78Å; Q226-L285 HydrophobicContact CB-CD2 4.32Å; Q226-L285 HydrophobicContact CG-CD2 3.86Å; Q226-S324 WeakPolarHBondContact CA-OG 3.22Å; Q226-D352 PolarHBondContact N-OD1 3.3Å; Q226-D352 PolarHBondContact NE2-OD2 3.35Å
227V96.6Very high97.2Very high6 Ų64.9 Ų4.94%0.0362%0.024CC..SBendtrans-127.57.7-178.1-68.10000114.6L224 V253 M318 S324L224-V227 HydrophobicContact CD1-CG1 4.11Å; L224-V227 HydrophobicContact CD2-CG1 3.88Å; L224-V227 HydrophobicContact CG-CG1 4.05Å; V227-V253 HydrophobicContact CB-CG1 4.1Å; V227-V253 HydrophobicContact CB-CG2 3.98Å; V227-V253 HydrophobicContact CG1-CG1 4.48Å; V227-V253 HydrophobicContact CG1-CG2 3.7Å; V227-V253 HydrophobicContact CG2-CG1 4.36Å; V227-M318 HydrophobicContact CG2-CB 3.75Å; V227-M318 HydrophobicContact CG2-CE 4.35Å; V227-M318 HydrophobicContact CG2-CG 3.76Å; V227-M318 WeakPolarHBondContact O-CE 3.29Å; V227-S324 PolarHBondContact N-OG 3.11Å
228F94Very high97.1Very high0 Ų05 Ų50%03%0.025CC..SBendtrans-121-15.1-170.765.3-95.5000115.5Q226 V273 W278 Y281 L285 M318 L319 I327Q226-F228 HydrophobicContact CB-CE1 4.46Å; F228-V273 HydrophobicContact CB-CG2 3.86Å; F228-V273 HydrophobicContact CD2-CG1 4.43Å; F228-V273 HydrophobicContact CD2-CG2 3.97Å; F228-V273 HydrophobicContact CG-CG2 4.29Å; F228-W278 AromaticContact CD2-CH2 3.87Å; F228-W278 HydrophobicContact CD2-CH2 3.87Å; F228-W278 HydrophobicContact CD2-CZ2 4.49Å; F228-W278 HydrophobicContact CD2-CZ3 4.14Å; F228-W278 HydrophobicContact CE2-CH2 4.31Å; F228-W278 HydrophobicContact CE2-CZ3 4.1Å; F228-Y281 HydrophobicContact CE2-CD2 4.44Å; F228-Y281 HydrophobicContact CZ-CD2 4.03Å; F228-L285 HydrophobicContact CD2-CD1 4.46Å; F228-L285 HydrophobicContact CE1-CD1 4.01Å; F228-L285 HydrophobicContact CE2-CD1 3.44Å; F228-L285 VanDerWaalsContact CE2-CD1 3.44Å; F228-L285 HydrophobicContact CZ-CD1 3.16Å; F228-M318 VanDerWaalsContact CA-CE 3.43Å; F228-M318 HydrophobicContact CB-CE 3.33Å; F228-L319 HydrophobicContact CD1-CD2 3.73Å; F228-L319 HydrophobicContact CD2-CD2 4.16Å; F228-L319 HydrophobicContact CE1-CD2 3.76Å; F228-L319 HydrophobicContact CE2-CD2 4.18Å; F228-L319 HydrophobicContact CG-CD2 3.93Å; F228-L319 HydrophobicContact CZ-CD2 3.97Å; F228-I327 HydrophobicContact CE1-CG2 4.01Å; F228-I327 HydrophobicContact CZ-CG2 3.77Å
229C94.9Very high96.9Very high5 Ų58.4 Ų8.43%0.0344%0.041CC..  trans-104.280.4172.5-166.20000110.6Q226 Q231 W278Q226-C229 PolarHBondContact NE2-O 3.21Å; C229-Q231 VanDerWaalsContact C-N 3.35Å; C229-Q231 PolarHBondContact O-N 3.18Å; C229-W278 HydrophobicContact CB-CH2 3.76Å; C229-W278 HydrophobicContact CB-CZ3 3.94Å
230L95.6Very high96.6Very high2 Ų211 Ų111%0.015%0.054CC..THydrogen-bonded Turntrans-99.524.6-171.2-51.5-177000113.5Y235 R246 L249 V250 I267L230-Y235 HydrophobicContact CB-CD1 4.06Å; L230-Y235 HydrophobicContact CB-CE1 4.32Å; L230-Y235 HydrophobicContact CD2-CD1 4.07Å; L230-Y235 HydrophobicContact CD2-CE1 3.44Å; L230-Y235 VanDerWaalsContact CD2-CE1 3.44Å; L230-Y235 HydrophobicContact CG-CE1 4.47Å; L230-Y235 VanDerWaalsContact O-CB 3.3Å; L230-Y235 WeakPolarHBondContact O-CB 3.32Å; L230-R246 VanDerWaalsContact O-CD 3.31Å; L230-R246 WeakPolarHBondContact O-CD 3.32Å; L230-R246 PolarHBondContact O-NH1 2.88Å; L230-L249 HydrophobicContact CD2-CD2 4.11Å; L230-V250 HydrophobicContact CD1-CG2 3.36Å; L230-I267 HydrophobicContact CD1-CG2 3.69Å
231Q95Very high96.4Very high16 Ų1611.3 Ų11.38%0.0756%0.056CC..THydrogen-bonded Turntrans-128.99.4-175.1-65-76.46.700112.5C229 Q236 R246 L268 W302C229-Q231 VanDerWaalsContact C-N 3.35Å; C229-Q231 PolarHBondContact O-N 3.18Å; Q231-Q236 PolarHBondContact O-NE2 3.32Å; Q231-R246 VanDerWaalsContact CD-NH1 3.25Å; Q231-L268 WeakPolarHBondContact CG-O 3.46Å; Q231-L268 PolarHBondContact NE2-O 3.47Å; Q231-W302 HydrophobicContact CB-CB 4.19Å; Q231-W302 HydrophobicContact CB-CD2 3.37Å; Q231-W302 HydrophobicContact CB-CE3 3.35Å; Q231-W302 HydrophobicContact CB-CG 3.75Å; Q231-W302 HydrophobicContact CB-CH2 4.38Å; Q231-W302 HydrophobicContact CB-CZ2 4.45Å; Q231-W302 HydrophobicContact CB-CZ3 3.87Å; Q231-W302 HydrophobicContact CG-CD2 3.51Å; Q231-W302 HydrophobicContact CG-CE3 3.9Å; Q231-W302 HydrophobicContact CG-CG 3.87Å; Q231-W302 HydrophobicContact CG-CH2 4.26Å; Q231-W302 HydrophobicContact CG-CZ2 3.96Å; Q231-W302 HydrophobicContact CG-CZ3 4.24Å
232L96.3Very high96.1Very high2 Ų211.3 Ų11.31%0.016%0.057CC..SBendtrans-58.6157.4169.8-67.6168.9000110.8S234 Y235 Q236 D351 L355L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 3.15Å; L232-S234 VanDerWaalsContact O-N 3.16Å; L232-Y235 HydrophobicContact CB-CD2 3.9Å; L232-Y235 HydrophobicContact CB-CE2 4.49Å; L232-Y235 HydrophobicContact CD1-CD2 4.5Å; L232-Y235 HydrophobicContact CD1-CE2 4.29Å; L232-Y235 WeakPolarHBondContact O-CB 3.43Å; L232-Y235 PolarHBondContact O-N 2.86Å; L232-Q236 PolarHBondContact O-N 3.37Å; L232-D351 HydrophobicContact CB-CB 4.13Å; L232-D351 HydrophobicContact CD1-CB 4.16Å; L232-L355 HydrophobicContact CD1-CD1 3.57Å; L232-L355 HydrophobicContact CD2-CD1 4.15Å
233P97.6Very high95.8Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-45.6-48.6-177.5-28.431.1000114.8Y235 Q236 Q237 P287 I290 K295 Y299 D351P233-Y235 VanDerWaalsContact C-N 3.34Å; P233-Y235 PolarHBondContact O-N 3.18Å; P233-Q236 PolarHBondContact O-N 3.2Å; P233-Q237 VanDerWaalsContact O-CB 3.29Å; P233-Q237 WeakPolarHBondContact O-CB 3.46Å; P233-Q237 WeakPolarHBondContact O-CG 3.31Å; P233-Q237 PolarHBondContact O-N 3.2Å; P233-P287 HydrophobicContact CG-CB 4.28Å; P233-I290 HydrophobicContact CG-CB 4.43Å; P233-I290 HydrophobicContact CG-CG1 4.38Å; P233-I290 HydrophobicContact CG-CG2 4.32Å; P233-K295 HydrophobicContact CB-CG 4.08Å; P233-K295 HydrophobicContact CG-CD 4.01Å; P233-K295 HydrophobicContact CG-CG 3.73Å; P233-Y299 HydrophobicContact CB-CD2 3.9Å; P233-Y299 HydrophobicContact CB-CE2 4.42Å; P233-Y299 HydrophobicContact CB-CG 4.01Å; P233-Y299 HydrophobicContact CG-CD1 4.19Å; P233-Y299 HydrophobicContact CG-CD2 3.83Å; P233-Y299 HydrophobicContact CG-CE1 4.26Å; P233-Y299 HydrophobicContact CG-CE2 3.89Å; P233-Y299 HydrophobicContact CG-CG 3.97Å; P233-D351 WeakPolarHBondContact CA-OD2 3.33Å; P233-D351 VanDerWaalsContact CB-OD2 3.28Å; P233-D351 WeakPolarHBondContact CB-OD2 3.46Å; P233-D351 WeakPolarHBondContact CD-OD2 3.48Å; P233-D351 VanDerWaalsContact N-OD2 3.17Å
234S97.8Very high95.7Very high0 Ų013.5 Ų13.50%07%0.067CC..Hα-helixtrans-64.9-34.7179.258.50000113.7L232 Q236 Q237 N238 D347 I348 D351L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 3.15Å; L232-S234 VanDerWaalsContact O-N 3.16Å; S234-Q236 VanDerWaalsContact C-N 3.29Å; S234-Q236 PolarHBondContact O-N 3.04Å; S234-Q237 PolarHBondContact O-N 2.83Å; S234-N238 VanDerWaalsContact O-CB 3.31Å; S234-N238 WeakPolarHBondContact O-CB 3.48Å; S234-N238 PolarHBondContact O-N 3.12Å; S234-D347 WeakPolarHBondContact CB-O 3.21Å; S234-I348 WeakPolarHBondContact CB-O 3.42Å; S234-I348 PolarHBondContact OG-O 3.47Å; S234-D351 VanDerWaalsContact CB-CG 3.47Å; S234-D351 WeakPolarHBondContact CB-OD1 3.13Å; S234-D351 PolarHBondContact N-OD2 3.19Å; S234-D351 WeakPolarHBondContact OG-CB 3.4Å; S234-D351 PolarHBondContact OG-N 3.45Å; S234-D351 VanDerWaalsContact OG-N 3.15Å; S234-D351 PolarHBondContact OG-OD1 3.29Å; S234-D351 PolarHBondContact OG-OD2 3.49Å
235Y97.4Very high95.5Very high0 Ų014.6 Ų14.60%08%0.076CC..Hα-helixtrans-66.2-31.4177.8-77.4-98.6000112.7Q226 L230 L232 P233 Q239 R246 L249 I348 L349 D352Q226-Y235 PolarHBondContact NE2-OH 2.78Å; L230-Y235 HydrophobicContact CB-CD1 4.06Å; L230-Y235 HydrophobicContact CB-CE1 4.32Å; L230-Y235 HydrophobicContact CD2-CD1 4.07Å; L230-Y235 HydrophobicContact CD2-CE1 3.44Å; L230-Y235 VanDerWaalsContact CD2-CE1 3.44Å; L230-Y235 HydrophobicContact CG-CE1 4.47Å; L230-Y235 VanDerWaalsContact O-CB 3.3Å; L230-Y235 WeakPolarHBondContact O-CB 3.32Å; L232-Y235 HydrophobicContact CB-CD2 3.9Å; L232-Y235 HydrophobicContact CB-CE2 4.49Å; L232-Y235 HydrophobicContact CD1-CD2 4.5Å; L232-Y235 HydrophobicContact CD1-CE2 4.29Å; L232-Y235 WeakPolarHBondContact O-CB 3.43Å; L232-Y235 PolarHBondContact O-N 2.86Å; P233-Y235 VanDerWaalsContact C-N 3.34Å; P233-Y235 PolarHBondContact O-N 3.18Å; Y235-Q239 VanDerWaalsContact O-CB 3.23Å; Y235-Q239 WeakPolarHBondContact O-CB 3.28Å; Y235-R246 HydrophobicContact CD1-CG 4.27Å; Y235-L249 HydrophobicContact CE1-CD2 3.55Å; Y235-I348 HydrophobicContact CD1-CB 4.16Å; Y235-I348 HydrophobicContact CD1-CD1 4.25Å; Y235-I348 VanDerWaalsContact CD2-O 3.3Å; Y235-I348 WeakPolarHBondContact CD2-O 3.44Å; Y235-I348 HydrophobicContact CE1-CB 4.44Å; Y235-I348 HydrophobicContact CE1-CD1 4.13Å; Y235-I348 HydrophobicContact CE1-CG1 4.47Å; Y235-I348 VanDerWaalsContact CE2-O 3.28Å; Y235-I348 WeakPolarHBondContact CE2-O 3.04Å; Y235-I348 HydrophobicContact CG-CB 4.37Å; Y235-L349 HydrophobicContact CE1-CD2 4.37Å; Y235-L349 VanDerWaalsContact OH-CD2 3.24Å; Y235-L349 WeakPolarHBondContact OH-CD2 3.11Å; Y235-D352 WeakPolarHBondContact CE2-OD2 3.32Å; Y235-D352 PolarHBondContact OH-OD2 3.31Å
236Q96.1Very high95.4Very high30 Ų3016.4 Ų16.414%0.148%0.082CC..Hα-helixtrans-81.1-48.5174.2-61.7-176.118.900111.3Q231 L232 P233 S234 N238 Q239 Q300Q231-Q236 PolarHBondContact O-NE2 3.32Å; L232-Q236 PolarHBondContact O-N 3.37Å; P233-Q236 PolarHBondContact O-N 3.2Å; S234-Q236 VanDerWaalsContact C-N 3.29Å; S234-Q236 PolarHBondContact O-N 3.04Å; Q236-N238 PolarHBondContact O-N 2.87Å; Q236-Q239 WeakPolarHBondContact O-CG 3.36Å; Q236-Q239 PolarHBondContact O-NE2 3.32Å; Q236-Q300 PolarHBondContact NE2-O 2.7Å; Q236-Q300 PolarHBondContact OE1-O 2.88Å
237Q95.3Very high95.2Very high27 Ų2723 Ų2313%0.12611%0.111CC..Hα-helixtrans-66.1-36.5-174.2-69.7173-13.300113.1P233 S234 F294 K295 R297P233-Q237 VanDerWaalsContact O-CB 3.29Å; P233-Q237 WeakPolarHBondContact O-CB 3.46Å; P233-Q237 WeakPolarHBondContact O-CG 3.31Å; P233-Q237 PolarHBondContact O-N 3.2Å; S234-Q237 PolarHBondContact O-N 2.83Å; Q237-F294 PolarHBondContact NE2-O 3.18Å; Q237-F294 PolarHBondContact OE1-O 3.24Å; Q237-K295 VanDerWaalsContact NE2-C 3.31Å; Q237-K295 PolarHBondContact NE2-O 2.95Å; Q237-R297 HydrophobicContact CB-CB 4.38Å; Q237-R297 HydrophobicContact CG-CB 3.86Å; Q237-R297 WeakPolarHBondContact CG-O 3.3Å; Q237-R297 VanDerWaalsContact NE2-N 3.2Å
238N96Very high95.1Very high3 Ų324.2 Ų24.22%0.01612%0.116CC..THydrogen-bonded Turntrans-108.517.2-174.9-61.8-40.2000112.4S234 Q236 N240 V241 R297 E345 D347 I348S234-N238 VanDerWaalsContact O-CB 3.31Å; S234-N238 WeakPolarHBondContact O-CB 3.48Å; S234-N238 PolarHBondContact O-N 3.12Å; Q236-N238 PolarHBondContact O-N 2.87Å; N238-N240 PolarHBondContact O-N 3.44Å; N238-V241 HydrophobicContact CB-CB 4.32Å; N238-V241 HydrophobicContact CB-CG2 3.76Å; N238-V241 PolarHBondContact O-N 3.45Å; N238-R297 PolarHBondContact OD1-NH2 3.44Å; N238-R297 VanDerWaalsContact OD1-NH2 3.16Å; N238-E345 PolarHBondContact ND2-O 3.5Å; N238-D347 PolarHBondContact ND2-N 2.98Å; N238-D347 VanDerWaalsContact ND2-N 3.2Å; N238-D347 PolarHBondContact ND2-O 3.28Å; N238-I348 HydrophobicContact CB-CG2 3.9Å; N238-I348 VanDerWaalsContact O-CG2 3.26Å; N238-I348 WeakPolarHBondContact O-CG2 3.42Å
239Q94.9Very high95.3Very high70 Ų7024.6 Ų24.633%0.32712%0.118SC..THydrogen-bonded Turntrans-58-26.5-167.569.3-173.4-53.600115.2Y235 Q236 S245 R246Y235-Q239 VanDerWaalsContact O-CB 3.23Å; Y235-Q239 WeakPolarHBondContact O-CB 3.28Å; Q236-Q239 WeakPolarHBondContact O-CG 3.36Å; Q236-Q239 PolarHBondContact O-NE2 3.32Å; Q239-S245 VanDerWaalsContact O-CA 3.25Å; Q239-S245 WeakPolarHBondContact O-CA 3.3Å; Q239-S245 VanDerWaalsContact O-CB 3.27Å; Q239-S245 WeakPolarHBondContact O-CB 3.24Å; Q239-R246 HydrophobicContact CB-CB 4.17Å; Q239-R246 PolarHBondContact O-N 3.28Å
240N92.9Very high95.4Very high56 Ų5624.4 Ų24.430%0.29912%0.117SC..THydrogen-bonded Turntrans-119.318.8177.5-44.8-54.8000113.6T30 D32 N238T30-N240 WeakPolarHBondContact O-CB 3.48Å; D32-N240 HydrophobicContact CB-CB 4.29Å; D32-N240 PolarHBondContact N-O 2.77Å; D32-N240 VanDerWaalsContact N-O 3.09Å; D32-N240 WeakPolarHBondContact OD2-CB 3.48Å; D32-N240 PolarHBondContact OD2-ND2 3.34Å; N238-N240 PolarHBondContact O-N 3.44Å
241V93.9Very high95.4Very high7 Ų725.7 Ų25.74%0.04213%0.125CC..  trans-66.1140.1173.4175.40000109D32 P34 N238 N346D32-V241 WeakPolarHBondContact O-CA 3.18Å; P34-V241 HydrophobicContact CG-CG1 4.28Å; P34-V241 HydrophobicContact CG-CG2 3.85Å; N238-V241 HydrophobicContact CB-CB 4.32Å; N238-V241 HydrophobicContact CB-CG2 3.76Å; N238-V241 PolarHBondContact O-N 3.45Å; V241-N346 HydrophobicContact CG1-CB 4.24Å; V241-N346 WeakPolarHBondContact CG1-O 3.49Å
242P92.6Very high95.5Very high1 Ų125.3 Ų25.31%0.00612%0.124CC..SBendtrans-46.9151.4-179.2-3738.7000116.4T31 D32 V33 L43 H47 L244T31-P242 HydrophobicContact CG2-CG 3.64Å; D32-P242 VanDerWaalsContact O-CD 3.3Å; D32-P242 WeakPolarHBondContact O-CD 3.37Å; V33-P242 HydrophobicContact CG2-CG 3.96Å; L43-P242 HydrophobicContact CD1-CB 4.09Å; L43-P242 HydrophobicContact CD2-CB 3.95Å; L43-P242 HydrophobicContact CD2-CG 3.75Å; L43-P242 HydrophobicContact CG-CB 3.89Å; L43-P242 HydrophobicContact CG-CG 3.9Å; H47-P242 HydrophobicContact CB-CB 3.92Å; H47-P242 HydrophobicContact CB-CG 4.26Å; P242-L244 PolarHBondContact O-N 3.01Å
243F92.8Very high95.5Very high30 Ų3025.6 Ų25.613%0.13213%0.126CC..SBendtrans69.7-42.7178.8-53.3-56.4000116.6L43 L46 H47 F50 F376 F382L43-F243 HydrophobicContact CD1-CD2 3.95Å; L43-F243 HydrophobicContact CD1-CE2 3.22Å; L43-F243 HydrophobicContact CD1-CZ 3.89Å; L46-F243 HydrophobicContact CB-CE1 4.2Å; L46-F243 HydrophobicContact CB-CZ 3.7Å; H47-F243 PolarHBondContact ND1-N 2.93Å; F50-F243 HydrophobicContact CB-CD1 4.11Å; F50-F243 HydrophobicContact CB-CE1 4.08Å; F50-F243 HydrophobicContact CD2-CD1 4.24Å; F50-F243 HydrophobicContact CG-CD1 4.04Å; F50-F243 HydrophobicContact CG-CE1 4.49Å; F243-F376 AromaticContact CD2-CD2 3.84Å; F243-F376 HydrophobicContact CD2-CD2 3.84Å; F243-F376 AromaticContact CD2-CE2 3.72Å; F243-F376 HydrophobicContact CD2-CE2 3.72Å; F243-F376 HydrophobicContact CE2-CD2 4.07Å; F243-F376 AromaticContact CE2-CE2 3.51Å; F243-F376 HydrophobicContact CE2-CE2 3.51Å; F243-F376 HydrophobicContact CE2-CZ 4.32Å; F243-F382 HydrophobicContact CE2-CE2 4.05Å; F243-F382 HydrophobicContact CE2-CZ 4.16Å; F243-F382 HydrophobicContact CZ-CE2 4.26Å; F243-F382 AromaticContact CZ-CZ 3.89Å; F243-F382 HydrophobicContact CZ-CZ 3.89Å
244L95.8Very high95.5Very high16 Ų1625.7 Ų25.78%0.08413%0.126CC..  trans-127.980.7178.3-170.268.3000111P242 F248 L249 I348 L349 H377P242-L244 PolarHBondContact O-N 3.01Å; L244-F248 HydrophobicContact CD1-CD1 4.26Å; L244-L249 HydrophobicContact CD1-CB 4.06Å; L244-L249 HydrophobicContact CD1-CD1 4.41Å; L244-I348 HydrophobicContact CD2-CD1 3.83Å; L244-I348 HydrophobicContact CD2-CG1 3.61Å; L244-I348 HydrophobicContact CG-CD1 3.71Å; L244-I348 HydrophobicContact CG-CG1 3.89Å; L244-L349 HydrophobicContact CD2-CD1 3.96Å; L244-L349 HydrophobicContact CD2-CD2 4.38Å; L244-L349 HydrophobicContact CD2-CG 3.81Å; L244-H377 HydrophobicContact CB-CB 3.75Å; L244-H377 HydrophobicContact CD2-CB 4.22Å; L244-H377 VanDerWaalsContact CD2-CG 3.46Å; L244-H377 WeakPolarHBondContact CD2-ND1 3.06Å
245S94.9Very high95.4Very high36 Ų3627.8 Ų27.825%0.25214%0.137SC..  trans-75.1156.4167.376.60000110.6Q239 K247 F248 L249Q239-S245 VanDerWaalsContact O-CA 3.25Å; Q239-S245 WeakPolarHBondContact O-CA 3.3Å; Q239-S245 VanDerWaalsContact O-CB 3.27Å; Q239-S245 WeakPolarHBondContact O-CB 3.24Å; S245-K247 VanDerWaalsContact C-N 3.28Å; S245-K247 PolarHBondContact O-N 3.41Å; S245-F248 WeakPolarHBondContact O-CB 3.42Å; S245-F248 PolarHBondContact O-N 3.26Å; S245-F248 VanDerWaalsContact O-N 3.07Å; S245-F248 VanDerWaalsContact OG-CB 3.24Å; S245-F248 WeakPolarHBondContact OG-CB 3.31Å; S245-F248 PolarHBondContact OG-N 3.42Å; S245-F248 VanDerWaalsContact OG-N 3.14Å; S245-L249 PolarHBondContact O-N 2.91Å
246R95.1Very high95.3Very high37 Ų3728.7 Ų28.714%0.1414%0.141CC..Hα-helixtrans-59.5-39.9178.5-174.4175.262.9169.2-3112.2L230 Q231 Y235 Q239 F248 L249 V250 L268L230-R246 VanDerWaalsContact O-CD 3.31Å; L230-R246 WeakPolarHBondContact O-CD 3.32Å; L230-R246 PolarHBondContact O-NH1 2.88Å; Q231-R246 VanDerWaalsContact CD-NH1 3.25Å; Y235-R246 HydrophobicContact CD1-CG 4.27Å; Q239-R246 HydrophobicContact CB-CB 4.17Å; Q239-R246 PolarHBondContact O-N 3.28Å; R246-F248 VanDerWaalsContact C-N 3.33Å; R246-L249 PolarHBondContact O-N 2.94Å; R246-V250 PolarHBondContact O-N 3.16Å; R246-L268 HydrophobicContact CG-CD2 3.58Å
247K94.3Very high95.4Very high140 Ų14027.8 Ų27.861%0.60914%0.137SC*.Hα-helixtrans-65.9-37.7176-68.8-176.4179.2178.60111.8S245 V250 T251 L268S245-K247 VanDerWaalsContact C-N 3.28Å; S245-K247 PolarHBondContact O-N 3.41Å; K247-V250 PolarHBondContact O-N 3.35Å; K247-T251 PolarHBondContact O-N 2.85Å; K247-T251 VanDerWaalsContact O-N 3.09Å; K247-T251 PolarHBondContact O-OG1 3.49Å; K247-L268 HydrophobicContact CG-CD1 4.47Å
248F94.6Very high95.4Very high30 Ų3029.6 Ų29.613%0.13216%0.156CC..Hα-helixtrans-67.5-42.2178.8-169.8-113.5000111.8F50 I54 F125 L244 S245 R246 V250 T251 C252F50-F248 HydrophobicContact CZ-CD1 4.29Å; F50-F248 AromaticContact CZ-CE1 3.74Å; F50-F248 HydrophobicContact CZ-CE1 3.74Å; F50-F248 HydrophobicContact CZ-CE2 4.38Å; F50-F248 AromaticContact CZ-CZ 3.81Å; F50-F248 HydrophobicContact CZ-CZ 3.81Å; I54-F248 HydrophobicContact CD1-CZ 4.47Å; F125-F248 AromaticContact CE2-CE1 3.62Å; F125-F248 HydrophobicContact CE2-CE1 3.62Å; F125-F248 AromaticContact CE2-CZ 3.41Å; F125-F248 HydrophobicContact CE2-CZ 3.41Å; F125-F248 VanDerWaalsContact CE2-CZ 3.41Å; F125-F248 HydrophobicContact CZ-CE1 4.09Å; F125-F248 AromaticContact CZ-CZ 3.59Å; F125-F248 HydrophobicContact CZ-CZ 3.59Å; L244-F248 HydrophobicContact CD1-CD1 4.26Å; S245-F248 WeakPolarHBondContact O-CB 3.42Å; S245-F248 PolarHBondContact O-N 3.26Å; S245-F248 VanDerWaalsContact O-N 3.07Å; S245-F248 VanDerWaalsContact OG-CB 3.24Å; S245-F248 WeakPolarHBondContact OG-CB 3.31Å; S245-F248 PolarHBondContact OG-N 3.42Å; S245-F248 VanDerWaalsContact OG-N 3.14Å; R246-F248 VanDerWaalsContact C-N 3.33Å; F248-V250 PolarHBondContact O-N 2.86Å; F248-T251 WeakPolarHBondContact O-CB 3.49Å; F248-T251 PolarHBondContact O-N 2.77Å; F248-T251 VanDerWaalsContact O-N 3.13Å; F248-C252 PolarHBondContact O-N 3.1Å
249L97.3Very high95.4Very high9 Ų929.8 Ų29.85%0.04716%0.157CC..Hα-helixtrans-54.8-51172.3176.469.4000111.8L224 L230 Y235 L244 S245 R246 T251 C252 V253 I348 L349L224-L249 HydrophobicContact CD1-CD1 3.93Å; L224-L249 HydrophobicContact CD1-CD2 4.31Å; L224-L249 HydrophobicContact CD2-CD1 4.05Å; L230-L249 HydrophobicContact CD2-CD2 4.11Å; Y235-L249 HydrophobicContact CE1-CD2 3.55Å; L244-L249 HydrophobicContact CD1-CB 4.06Å; L244-L249 HydrophobicContact CD1-CD1 4.41Å; S245-L249 PolarHBondContact O-N 2.91Å; R246-L249 PolarHBondContact O-N 2.94Å; L249-T251 PolarHBondContact O-N 3.5Å; L249-C252 WeakPolarHBondContact O-CA 3.41Å; L249-C252 WeakPolarHBondContact O-CB 3.41Å; L249-C252 PolarHBondContact O-N 3.28Å; L249-V253 HydrophobicContact CD1-CG2 4.31Å; L249-V253 HydrophobicContact CG-CG2 4.35Å; L249-V253 WeakPolarHBondContact O-CG2 3.46Å; L249-V253 PolarHBondContact O-N 3.12Å; L249-I348 HydrophobicContact CB-CD1 3.87Å; L249-I348 HydrophobicContact CD2-CD1 3.76Å; L249-I348 HydrophobicContact CG-CD1 4.4Å; L249-L349 HydrophobicContact CD2-CD2 4.23Å
250V97.3Very high95.5Very high0 Ų030.6 Ų30.60%016%0.164CC..Hα-helixtrans-60.8-34.9179.4177.40000111.5L230 R246 K247 F248 V253 C254 R264 I267 L268L230-V250 HydrophobicContact CD1-CG2 3.36Å; R246-V250 PolarHBondContact O-N 3.16Å; K247-V250 PolarHBondContact O-N 3.35Å; F248-V250 PolarHBondContact O-N 2.86Å; V250-V253 PolarHBondContact O-N 2.98Å; V250-C254 WeakPolarHBondContact O-CB 2.96Å; V250-C254 PolarHBondContact O-N 3.25Å; V250-C254 PolarHBondContact O-SG 2.87Å; V250-R264 HydrophobicContact CB-CG 4.4Å; V250-R264 HydrophobicContact CG1-CB 4.28Å; V250-R264 HydrophobicContact CG1-CG 3.79Å; V250-I267 HydrophobicContact CG1-CB 4.21Å; V250-I267 HydrophobicContact CG1-CD1 4.35Å; V250-I267 HydrophobicContact CG1-CG2 3.92Å; V250-I267 HydrophobicContact CG2-CG2 4.07Å; V250-L268 HydrophobicContact CB-CD2 4.48Å; V250-L268 HydrophobicContact CG2-CD2 3.5Å; V250-L268 HydrophobicContact CG2-CG 3.94Å
251T95.8Very high95.6Very high29 Ų2931 Ų3118%0.17817%0.166CC..Hα-helixtrans-64.3-42.7175-56.50000111.5K247 F248 L249 N255 L261K247-T251 PolarHBondContact O-N 2.85Å; K247-T251 VanDerWaalsContact O-N 3.09Å; K247-T251 PolarHBondContact O-OG1 3.49Å; F248-T251 WeakPolarHBondContact O-CB 3.49Å; F248-T251 PolarHBondContact O-N 2.77Å; F248-T251 VanDerWaalsContact O-N 3.13Å; L249-T251 PolarHBondContact O-N 3.5Å; T251-N255 WeakPolarHBondContact O-CB 3.39Å; T251-N255 PolarHBondContact O-N 3.45Å; T251-N255 PolarHBondContact O-ND2 3.24Å; T251-L261 HydrophobicContact CG2-CD2 4.27Å
252C96.6Very high95.8Very high9 Ų934.7 Ų34.76%0.06119%0.192CC..Hα-helixtrans-62.8-43.2173-71.40000112.3F248 L249 N255 Y256F248-C252 PolarHBondContact O-N 3.1Å; L249-C252 WeakPolarHBondContact O-CA 3.41Å; L249-C252 WeakPolarHBondContact O-CB 3.41Å; L249-C252 PolarHBondContact O-N 3.28Å; C252-N255 PolarHBondContact O-N 3.45Å; C252-Y256 VanDerWaalsContact O-CB 3.29Å; C252-Y256 WeakPolarHBondContact O-CB 3.33Å; C252-Y256 PolarHBondContact O-N 3Å
253V97.3Very high96Very high8 Ų837.2 Ų37.25%0.04820%0.201CC..Hα-helixtrans-62.6-49.4178.2172.30000110.8V227 L249 V250 N255 Y256 L257 M318V227-V253 HydrophobicContact CB-CG1 4.1Å; V227-V253 HydrophobicContact CB-CG2 3.98Å; V227-V253 HydrophobicContact CG1-CG1 4.48Å; V227-V253 HydrophobicContact CG1-CG2 3.7Å; V227-V253 HydrophobicContact CG2-CG1 4.36Å; L249-V253 HydrophobicContact CD1-CG2 4.31Å; L249-V253 HydrophobicContact CG-CG2 4.35Å; L249-V253 WeakPolarHBondContact O-CG2 3.46Å; L249-V253 PolarHBondContact O-N 3.12Å; V250-V253 PolarHBondContact O-N 2.98Å; V253-N255 PolarHBondContact O-N 2.92Å; V253-Y256 PolarHBondContact O-N 3.2Å; V253-L257 HydrophobicContact CG1-CD1 3.76Å; V253-L257 HydrophobicContact CG1-CG 4.35Å; V253-L257 WeakPolarHBondContact O-CB 3.23Å; V253-L257 PolarHBondContact O-N 3.16Å; V253-M318 HydrophobicContact CG1-CG 4.35Å; V253-M318 HydrophobicContact CG1-SD 4.27Å
254C96.9Very high96.1Very high1 Ų139.8 Ų39.81%0.00721%0.21CC..Hα-helixtrans-59.1-45.9177.6-71.90000111.7V250 Y256 A258 I259 L261V250-C254 WeakPolarHBondContact O-CB 2.96Å; V250-C254 PolarHBondContact O-N 3.25Å; V250-C254 PolarHBondContact O-SG 2.87Å; C254-Y256 PolarHBondContact O-N 3.26Å; C254-A258 CarbonylContact O-C 3.56Å; C254-A258 VanDerWaalsContact O-CA 3.31Å; C254-A258 WeakPolarHBondContact O-CA 3.4Å; C254-A258 PolarHBondContact O-N 3.16Å; C254-I259 HydrophobicContact CB-CB 4.29Å; C254-I259 WeakPolarHBondContact CB-O 3.47Å; C254-I259 PolarHBondContact O-N 2.97Å; C254-L261 HydrophobicContact CB-CD2 3.55Å; C254-L261 HydrophobicContact CB-CG 4.25Å
255N94.6Very high96.1Very high44 Ų4444.2 Ų44.224%0.23523%0.234CC..Hα-helixtrans-62-43.1176.2-72.5-17.3000112V154 H158 T251 C252 V253V154-N255 WeakPolarHBondContact CG1-O 3.28Å; H158-N255 PolarHBondContact CE1-O 3.2Å; H158-N255 VanDerWaalsContact CE1-O 3.3Å; H158-N255 PolarHBondContact ND1-O 3.45Å; T251-N255 WeakPolarHBondContact O-CB 3.39Å; T251-N255 PolarHBondContact O-N 3.45Å; T251-N255 PolarHBondContact O-ND2 3.24Å; C252-N255 PolarHBondContact O-N 3.45Å; V253-N255 PolarHBondContact O-N 2.92Å
256Y96.9Very high96.2Very high19 Ų1942.9 Ų42.98%0.07523%0.225CC..Hα-helixtrans-68-44.6-178.8174.1-120000112.3T123 H158 S159 L162 C252 V253 C254 A258 N323T123-Y256 HydrophobicContact CG2-CD2 3.4Å; T123-Y256 HydrophobicContact CG2-CE2 3.9Å; T123-Y256 HydrophobicContact CG2-CG 3.9Å; H158-Y256 CarbonylContact C-O 3.54Å; H158-Y256 WeakPolarHBondContact CA-O 3.43Å; H158-Y256 WeakPolarHBondContact CB-O 3.45Å; S159-Y256 PolarHBondContact N-O 3.28Å; S159-Y256 PolarHBondContact OG-OH 2.89Å; L162-Y256 HydrophobicContact CB-CE2 3.97Å; C252-Y256 VanDerWaalsContact O-CB 3.29Å; C252-Y256 WeakPolarHBondContact O-CB 3.33Å; C252-Y256 PolarHBondContact O-N 3Å; V253-Y256 PolarHBondContact O-N 3.2Å; C254-Y256 PolarHBondContact O-N 3.26Å; Y256-A258 VanDerWaalsContact C-N 3.32Å; Y256-N323 VanDerWaalsContact CE1-OD1 3.28Å; Y256-N323 WeakPolarHBondContact CE1-OD1 3.24Å; Y256-N323 PolarHBondContact OH-OD1 3.07Å
257L97Very high96.2Very high12 Ų1241.1 Ų41.16%0.06322%0.218CC..Hα-helixtrans-88.93.3-177.7-60.1-177.7000113.6V253 I259 H317 M318 N323V253-L257 HydrophobicContact CG1-CD1 3.76Å; V253-L257 HydrophobicContact CG1-CG 4.35Å; V253-L257 WeakPolarHBondContact O-CB 3.23Å; V253-L257 PolarHBondContact O-N 3.16Å; L257-I259 VanDerWaalsContact C-N 3.26Å; L257-I259 HydrophobicContact CB-CD1 3.76Å; L257-I259 HydrophobicContact CB-CG1 3.82Å; L257-I259 HydrophobicContact CD1-CD1 3.97Å; L257-I259 PolarHBondContact O-N 3.36Å; L257-H317 HydrophobicContact CD2-CB 4.29Å; L257-M318 HydrophobicContact CD1-CB 4.29Å; L257-M318 HydrophobicContact CD1-CG 3.33Å; L257-N323 HydrophobicContact CD2-CB 4.45Å
258A96.1Very high96.3Very high64 Ų6434.8 Ų34.853%0.52919%0.191SC..THydrogen-bonded Turntrans55.636.8-175.900000113.9H158 C254 Y256H158-A258 HydrophobicContact CB-CB 4.4Å; C254-A258 CarbonylContact O-C 3.56Å; C254-A258 VanDerWaalsContact O-CA 3.31Å; C254-A258 WeakPolarHBondContact O-CA 3.4Å; C254-A258 PolarHBondContact O-N 3.16Å; Y256-A258 VanDerWaalsContact C-N 3.32Å
259I96.8Very high96.2Very high7 Ų736.7 Ų36.74%0.03620%0.203CC..  trans-88.4135.9176.7-55.1168.7000109.1C254 L257 L261 W263 I267 E314 A315 M318C254-I259 HydrophobicContact CB-CB 4.29Å; C254-I259 WeakPolarHBondContact CB-O 3.47Å; C254-I259 PolarHBondContact O-N 2.97Å; L257-I259 VanDerWaalsContact C-N 3.26Å; L257-I259 HydrophobicContact CB-CD1 3.76Å; L257-I259 HydrophobicContact CB-CG1 3.82Å; L257-I259 HydrophobicContact CD1-CD1 3.97Å; L257-I259 PolarHBondContact O-N 3.36Å; I259-L261 PolarHBondContact O-N 3.21Å; I259-W263 HydrophobicContact CG2-CB 4.27Å; I259-I267 HydrophobicContact CD1-CD1 4.46Å; I259-I267 HydrophobicContact CG2-CD1 4.13Å; I259-E314 WeakPolarHBondContact CG1-O 3.31Å; I259-E314 HydrophobicContact CG2-CB 4.29Å; I259-A315 HydrophobicContact CD1-CB 4.1Å; I259-M318 HydrophobicContact CD1-CG 4.03Å; I259-M318 HydrophobicContact CD1-SD 3.83Å
260D96.3Very high96.1Very high88 Ų8836.3 Ų36.347%0.47120%0.201SC..  trans-61.3132.5175.4-167.4-71.2000111.7S262 W263D260-S262 PolarHBondContact O-N 2.88Å; D260-S262 VanDerWaalsContact O-N 3.14Å; D260-S262 WeakPolarHBondContact OD1-CB 3.41Å; D260-S262 PolarHBondContact OD1-N 3.45Å; D260-S262 PolarHBondContact OD1-OG 2.55Å; D260-W263 PolarHBondContact O-N 2.79Å
261L95.7Very high96Very high64 Ų6437.3 Ų37.334%0.33521%0.207SC..G310 helixtrans-66-14.2-177.8-76.5171.8000113.6T251 C254 I259 W263 R264T251-L261 HydrophobicContact CG2-CD2 4.27Å; C254-L261 HydrophobicContact CB-CD2 3.55Å; C254-L261 HydrophobicContact CB-CG 4.25Å; I259-L261 PolarHBondContact O-N 3.21Å; L261-W263 PolarHBondContact O-N 3.24Å; L261-R264 WeakPolarHBondContact O-CB 3.09Å; L261-R264 PolarHBondContact O-N 3.3Å; L261-R264 VanDerWaalsContact O-N 3.11Å
262S96.7Very high96Very high85 Ų8536.1 Ų36.159%0.59420%0.2SC*.G310 helixtrans-60.9-24.4170.561.70000112.5D260 R264D260-S262 PolarHBondContact O-N 2.88Å; D260-S262 VanDerWaalsContact O-N 3.14Å; D260-S262 WeakPolarHBondContact OD1-CB 3.41Å; D260-S262 PolarHBondContact OD1-N 3.45Å; D260-S262 PolarHBondContact OD1-OG 2.55Å; S262-R264 VanDerWaalsContact C-N 3.27Å; S262-R264 PolarHBondContact O-N 3.25Å
263W96.9Very high95.9Very high53 Ų5335.9 Ų35.920%0.20120%0.198CC..G310 helixtrans-81.61.3175-60.2122.5000114.6I259 D260 L261 D265 A266 I267 A310 A311I259-W263 HydrophobicContact CG2-CB 4.27Å; D260-W263 PolarHBondContact O-N 2.79Å; L261-W263 PolarHBondContact O-N 3.24Å; W263-D265 VanDerWaalsContact C-N 3.28Å; W263-D265 PolarHBondContact O-N 3.01Å; W263-A266 HydrophobicContact CE3-CB 4.43Å; W263-A266 WeakPolarHBondContact O-CB 3.39Å; W263-A266 PolarHBondContact O-N 3.31Å; W263-I267 HydrophobicContact CB-CD1 4.31Å; W263-I267 WeakPolarHBondContact O-CG1 3.29Å; W263-I267 PolarHBondContact O-N 2.98Å; W263-A310 HydrophobicContact CH2-CB 3.44Å; W263-A310 VanDerWaalsContact CH2-CB 3.44Å; W263-A310 HydrophobicContact CZ2-CB 3.78Å; W263-A310 HydrophobicContact CZ3-CB 4.36Å; W263-A311 HydrophobicContact CD2-CB 3.76Å; W263-A311 HydrophobicContact CE3-CB 3.37Å; W263-A311 HydrophobicContact CG-CB 4.27Å; W263-A311 HydrophobicContact CZ3-CB 3.83Å
264R95.8Very high95.8Very high85 Ų8536 Ų3632%0.32120%0.199SC..Hα-helixtrans-50.5-46.2-177.5-179.1-169.6-63.4141.1-1.4112.8V250 L261 S262 A266 I267 L268V250-R264 HydrophobicContact CB-CG 4.4Å; V250-R264 HydrophobicContact CG1-CB 4.28Å; V250-R264 HydrophobicContact CG1-CG 3.79Å; L261-R264 WeakPolarHBondContact O-CB 3.09Å; L261-R264 PolarHBondContact O-N 3.3Å; L261-R264 VanDerWaalsContact O-N 3.11Å; S262-R264 VanDerWaalsContact C-N 3.27Å; S262-R264 PolarHBondContact O-N 3.25Å; R264-A266 VanDerWaalsContact C-N 3.34Å; R264-I267 PolarHBondContact O-N 2.98Å; R264-L268 HydrophobicContact CG-CD1 3.83Å; R264-L268 HydrophobicContact CG-CG 4.31Å; R264-L268 WeakPolarHBondContact O-CB 3.23Å; R264-L268 VanDerWaalsContact O-CG 3.26Å; R264-L268 WeakPolarHBondContact O-CG 3.38Å; R264-L268 PolarHBondContact O-N 3.18Å
265D95.2Very high95.7Very high108 Ų10839.6 Ų39.658%0.57822%0.222SC*.Hα-helixtrans-70.3-33-177.7-71.2-21.6000111.9W263 N269W263-D265 VanDerWaalsContact C-N 3.28Å; W263-D265 PolarHBondContact O-N 3.01Å; D265-N269 VanDerWaalsContact O-CB 3.29Å; D265-N269 WeakPolarHBondContact O-CB 3.2Å; D265-N269 PolarHBondContact O-N 3.1Å; D265-N269 PolarHBondContact O-ND2 3.17Å
266A96.3Very high95.7Very high8 Ų842.5 Ų42.57%0.06624%0.238CC..Hα-helixtrans-66.6-41.3174.600000111.6W263 R264 N269 G270 T271 C272 A311W263-A266 HydrophobicContact CE3-CB 4.43Å; W263-A266 WeakPolarHBondContact O-CB 3.39Å; W263-A266 PolarHBondContact O-N 3.31Å; R264-A266 VanDerWaalsContact C-N 3.34Å; A266-N269 CarbonylContact O-C 3.37Å; A266-G270 CarbonylContact O-C 3.53Å; A266-G270 PolarHBondContact O-N 2.83Å; A266-T271 WeakPolarHBondContact CA-OG1 3.36Å; A266-T271 WeakPolarHBondContact CB-OG1 3.45Å; A266-T271 PolarHBondContact O-N 3.29Å; A266-T271 PolarHBondContact O-OG1 2.91Å; A266-C272 HydrophobicContact CB-CB 4.39Å; A266-A311 HydrophobicContact CB-CB 3.62Å
267I96.6Very high95.5Very high0 Ų042.5 Ų42.50%024%0.24CC..Hα-helixtrans-66.6-48.6176.4-66.9164.8000111.2L230 V250 I259 W263 R264 N269 G270 M318L230-I267 HydrophobicContact CD1-CG2 3.69Å; V250-I267 HydrophobicContact CG1-CB 4.21Å; V250-I267 HydrophobicContact CG1-CD1 4.35Å; V250-I267 HydrophobicContact CG1-CG2 3.92Å; V250-I267 HydrophobicContact CG2-CG2 4.07Å; I259-I267 HydrophobicContact CD1-CD1 4.46Å; I259-I267 HydrophobicContact CG2-CD1 4.13Å; W263-I267 HydrophobicContact CB-CD1 4.31Å; W263-I267 WeakPolarHBondContact O-CG1 3.29Å; W263-I267 PolarHBondContact O-N 2.98Å; R264-I267 PolarHBondContact O-N 2.98Å; I267-N269 VanDerWaalsContact C-N 3.25Å; I267-N269 PolarHBondContact O-N 3.07Å; I267-G270 PolarHBondContact O-N 3.04Å; I267-G270 VanDerWaalsContact O-N 3.15Å; I267-M318 HydrophobicContact CD1-SD 4.28Å; I267-M318 HydrophobicContact CG1-SD 4.22Å; I267-M318 HydrophobicContact CG2-CE 4.08Å; I267-M318 HydrophobicContact CG2-SD 4.36Å
268L95.4Very high95.3Very high8 Ų843.3 Ų43.34%0.04224%0.242CC..Hα-helixtrans-59.1-38.2178.5-76.1172.4000112.3Q231 R246 K247 V250 R264Q231-L268 WeakPolarHBondContact CG-O 3.46Å; Q231-L268 PolarHBondContact NE2-O 3.47Å; R246-L268 HydrophobicContact CG-CD2 3.58Å; K247-L268 HydrophobicContact CG-CD1 4.47Å; V250-L268 HydrophobicContact CB-CD2 4.48Å; V250-L268 HydrophobicContact CG2-CD2 3.5Å; V250-L268 HydrophobicContact CG2-CG 3.94Å; R264-L268 HydrophobicContact CG-CD1 3.83Å; R264-L268 HydrophobicContact CG-CG 4.31Å; R264-L268 WeakPolarHBondContact O-CB 3.23Å; R264-L268 VanDerWaalsContact O-CG 3.26Å; R264-L268 WeakPolarHBondContact O-CG 3.38Å; R264-L268 PolarHBondContact O-N 3.18Å
269N93.7Very high95.2Very high69 Ų6948.3 Ų48.337%0.36925%0.247SC..THydrogen-bonded Turntrans-96.814.5-178.5-61.5-49.4000112.9D265 A266 I267 T271 W302D265-N269 VanDerWaalsContact O-CB 3.29Å; D265-N269 WeakPolarHBondContact O-CB 3.2Å; D265-N269 PolarHBondContact O-N 3.1Å; D265-N269 PolarHBondContact O-ND2 3.17Å; A266-N269 CarbonylContact O-C 3.37Å; I267-N269 VanDerWaalsContact C-N 3.25Å; I267-N269 PolarHBondContact O-N 3.07Å; N269-T271 HydrophobicContact CB-CG2 4.24Å; N269-T271 WeakPolarHBondContact O-CG2 2.96Å; N269-T271 PolarHBondContact O-N 3.35Å; N269-W302 WeakPolarHBondContact O-CZ2 3.09Å
270G94.2Very high95.1Very high1 Ų153.6 Ų53.61%0.0127%0.27CS..THydrogen-bonded Turntrans56.915.6175.400000115.6A266 I267 C272 V273 W278A266-G270 CarbonylContact O-C 3.53Å; A266-G270 PolarHBondContact O-N 2.83Å; I267-G270 PolarHBondContact O-N 3.04Å; I267-G270 VanDerWaalsContact O-N 3.15Å; G270-C272 VanDerWaalsContact C-N 3.27Å; G270-C272 PolarHBondContact O-N 2.85Å; G270-V273 PolarHBondContact O-N 3.46Å; G270-W278 PolarHBondContact O-NE1 3Å
271T95.6Very high95.1Very high22 Ų2250.4 Ų50.414%0.13525%0.252CS..THydrogen-bonded Turntrans-78.5-15.4-177.861.90000112.2A266 N269 V273 P306 F307 N308A266-T271 WeakPolarHBondContact CA-OG1 3.36Å; A266-T271 WeakPolarHBondContact CB-OG1 3.45Å; A266-T271 PolarHBondContact O-N 3.29Å; A266-T271 PolarHBondContact O-OG1 2.91Å; N269-T271 HydrophobicContact CB-CG2 4.24Å; N269-T271 WeakPolarHBondContact O-CG2 2.96Å; N269-T271 PolarHBondContact O-N 3.35Å; T271-V273 PolarHBondContact O-N 2.9Å; T271-P306 WeakPolarHBondContact CB-O 3.18Å; T271-F307 WeakPolarHBondContact O-CD2 3.21Å; T271-N308 PolarHBondContact O-N 3.49Å
272C95.1Very high94.9Very high3 Ų352.6 Ų52.62%0.0226%0.26CS..THydrogen-bonded Turntrans-79.13.3171.369.30000113.5A266 G270 A311 Y312 A315A266-C272 HydrophobicContact CB-CB 4.39Å; G270-C272 VanDerWaalsContact C-N 3.27Å; G270-C272 PolarHBondContact O-N 2.85Å; C272-A311 HydrophobicContact CB-CB 3.69Å; C272-Y312 WeakPolarHBondContact O-CA 3.26Å; C272-Y312 WeakPolarHBondContact O-CB 3.4Å; C272-Y312 VanDerWaalsContact O-CD2 3.31Å; C272-Y312 WeakPolarHBondContact O-CD2 3.39Å; C272-A315 HydrophobicContact CB-CB 4.32Å
273V95.4Very high94.8Very high5 Ų554.1 Ų54.13%0.0326%0.256CS..SBendtrans-110.7122.8178.5178.80000109.2F228 G270 T271 V277 W278F228-V273 HydrophobicContact CB-CG2 3.86Å; F228-V273 HydrophobicContact CD2-CG1 4.43Å; F228-V273 HydrophobicContact CD2-CG2 3.97Å; F228-V273 HydrophobicContact CG-CG2 4.29Å; G270-V273 PolarHBondContact O-N 3.46Å; T271-V273 PolarHBondContact O-N 2.9Å; V273-V277 HydrophobicContact CG1-CB 4.05Å; V273-V277 HydrophobicContact CG1-CG1 3.79Å; V273-W278 HydrophobicContact CB-CD2 4.39Å; V273-W278 HydrophobicContact CB-CZ2 3.77Å; V273-W278 VanDerWaalsContact CB-NE1 3.34Å; V273-W278 HydrophobicContact CG1-CD2 3.83Å; V273-W278 HydrophobicContact CG1-CG 3.93Å; V273-W278 HydrophobicContact CG1-CZ2 3.97Å; V273-W278 HydrophobicContact CG2-CZ2 3.92Å; V273-W278 PolarHBondContact O-NE1 2.75Å
274P95Very high94.8Very high9 Ų953 Ų536%0.05825%0.251CS..  trans-60.8147.6179.8-25.233.4000113.4D276 V277 W278 F307 Y312P274-D276 VanDerWaalsContact C-N 3.3Å; P274-D276 WeakPolarHBondContact CB-OD1 3.34Å; P274-D276 PolarHBondContact O-N 3.32Å; P274-V277 HydrophobicContact CB-CB 4.23Å; P274-V277 HydrophobicContact CB-CG2 3.93Å; P274-V277 HydrophobicContact CG-CB 4.46Å; P274-V277 HydrophobicContact CG-CG2 3.94Å; P274-V277 WeakPolarHBondContact O-CB 3.39Å; P274-V277 PolarHBondContact O-N 3.44Å; P274-V277 VanDerWaalsContact O-N 3.13Å; P274-W278 PolarHBondContact O-N 3.32Å; P274-F307 HydrophobicContact CB-CE2 4.08Å; P274-F307 HydrophobicContact CB-CZ 4.35Å; P274-F307 HydrophobicContact CG-CD2 4.47Å; P274-F307 HydrophobicContact CG-CE2 3.63Å; P274-F307 HydrophobicContact CG-CZ 3.84Å; P274-Y312 HydrophobicContact CG-CD1 4.3Å; P274-Y312 HydrophobicContact CG-CD2 3.73Å; P274-Y312 HydrophobicContact CG-CE1 4.18Å; P274-Y312 HydrophobicContact CG-CE2 3.59Å; P274-Y312 HydrophobicContact CG-CG 4.07Å
275P94.3Very high94.7Very high77 Ų7749.2 Ų49.250%0.524%0.238SC..Hα-helixtrans-59.7-34179.9-26.335.2000115W278 R279P275-W278 PolarHBondContact O-N 2.99Å; P275-R279 PolarHBondContact O-N 3.3Å
276D94.4Very high94.6Very high105 Ų10545 Ų4556%0.56122%0.217SC*.Hα-helixtrans-69.9-37.9175.461.2-51.5000111.8P274 R279 K280P274-D276 VanDerWaalsContact C-N 3.3Å; P274-D276 WeakPolarHBondContact CB-OD1 3.34Å; P274-D276 PolarHBondContact O-N 3.32Å; D276-R279 PolarHBondContact O-N 3.29Å; D276-K280 WeakPolarHBondContact O-CB 3.14Å; D276-K280 PolarHBondContact O-N 3.28Å
277V93.6Very high94.6Very high19 Ų1946.3 Ų46.312%0.11523%0.225CC..Hα-helixtrans-65.1-42.5171.9176.30000110.9V273 P274 R279 K280 Y281 L319V273-V277 HydrophobicContact CG1-CB 4.05Å; V273-V277 HydrophobicContact CG1-CG1 3.79Å; P274-V277 HydrophobicContact CB-CB 4.23Å; P274-V277 HydrophobicContact CB-CG2 3.93Å; P274-V277 HydrophobicContact CG-CB 4.46Å; P274-V277 HydrophobicContact CG-CG2 3.94Å; P274-V277 WeakPolarHBondContact O-CB 3.39Å; P274-V277 PolarHBondContact O-N 3.44Å; P274-V277 VanDerWaalsContact O-N 3.13Å; V277-R279 PolarHBondContact O-N 3.28Å; V277-K280 WeakPolarHBondContact O-CB 3.26Å; V277-K280 PolarHBondContact O-N 3.44Å; V277-Y281 HydrophobicContact CG1-CD2 3.79Å; V277-Y281 HydrophobicContact CG1-CE2 3.76Å; V277-Y281 WeakPolarHBondContact O-CD2 3.5Å; V277-Y281 PolarHBondContact O-N 3.48Å; V277-L319 HydrophobicContact CG1-CD1 3.91Å; V277-L319 HydrophobicContact CG1-CD2 3.98Å; V277-L319 HydrophobicContact CG2-CD1 4.47Å
278W92.6Very high94.5Very high30 Ų3052.7 Ų52.711%0.11426%0.259CS..Hα-helixtrans-56.1-51.5172.5-85121.8000111.4F228 C229 G270 V273 P274 P275 K280 Y281 E282 W302 P304F228-W278 AromaticContact CD2-CH2 3.87Å; F228-W278 HydrophobicContact CD2-CH2 3.87Å; F228-W278 HydrophobicContact CD2-CZ2 4.49Å; F228-W278 HydrophobicContact CD2-CZ3 4.14Å; F228-W278 HydrophobicContact CE2-CH2 4.31Å; F228-W278 HydrophobicContact CE2-CZ3 4.1Å; C229-W278 HydrophobicContact CB-CH2 3.76Å; C229-W278 HydrophobicContact CB-CZ3 3.94Å; G270-W278 PolarHBondContact O-NE1 3Å; V273-W278 HydrophobicContact CB-CD2 4.39Å; V273-W278 HydrophobicContact CB-CZ2 3.77Å; V273-W278 VanDerWaalsContact CB-NE1 3.34Å; V273-W278 HydrophobicContact CG1-CD2 3.83Å; V273-W278 HydrophobicContact CG1-CG 3.93Å; V273-W278 HydrophobicContact CG1-CZ2 3.97Å; V273-W278 HydrophobicContact CG2-CZ2 3.92Å; V273-W278 PolarHBondContact O-NE1 2.75Å; P274-W278 PolarHBondContact O-N 3.32Å; P275-W278 PolarHBondContact O-N 2.99Å; W278-K280 VanDerWaalsContact C-N 3.25Å; W278-K280 PolarHBondContact O-N 3.02Å; W278-Y281 PolarHBondContact O-N 3.46Å; W278-Y281 VanDerWaalsContact O-N 3.13Å; W278-E282 WeakPolarHBondContact O-CB 3.49Å; W278-E282 PolarHBondContact O-N 3.38Å; W278-W302 HydrophobicContact CH2-CH2 4.25Å; W278-W302 HydrophobicContact CH2-CZ3 4.44Å; W278-W302 AromaticContact CZ2-CH2 3.86Å; W278-W302 HydrophobicContact CZ2-CH2 3.86Å; W278-W302 HydrophobicContact CZ2-CZ3 4.45Å; W278-P304 HydrophobicContact CD2-CG 4.34Å; W278-P304 HydrophobicContact CG-CG 4.32Å; W278-P304 HydrophobicContact CZ2-CG 4.42Å; W278-P304 VanDerWaalsContact NE1-CG 3.31Å
279R94Very high94.6Very high168 Ų16854.1 Ų54.163%0.63427%0.266SS*.Hα-helixtrans-60-35.7178.9-166.4-175.7-58.71465.3112.5P275 D276 V277 Y281 E282P275-R279 PolarHBondContact O-N 3.3Å; D276-R279 PolarHBondContact O-N 3.29Å; V277-R279 PolarHBondContact O-N 3.28Å; R279-Y281 VanDerWaalsContact C-N 3.34Å; R279-Y281 PolarHBondContact O-N 3.18Å; R279-E282 WeakPolarHBondContact O-CG 3.37Å
280K95.2Very high94.8Very high118 Ų11851 Ų5151%0.51325%0.25SC..Hα-helixtrans-62-42177.1-174.8-176.3176.8-165.50111.8D276 V277 W278D276-K280 WeakPolarHBondContact O-CB 3.14Å; D276-K280 PolarHBondContact O-N 3.28Å; V277-K280 WeakPolarHBondContact O-CB 3.26Å; V277-K280 PolarHBondContact O-N 3.44Å; W278-K280 VanDerWaalsContact C-N 3.25Å; W278-K280 PolarHBondContact O-N 3.02Å
281Y95.3Very high94.9Very high22 Ų2254 Ų549%0.08627%0.269CS..Hα-helixtrans-103.7-7.6-171.7-59.1-48.8000114.8F228 V277 W278 R279 K283 W284 L285 I327F228-Y281 HydrophobicContact CE2-CD2 4.44Å; F228-Y281 HydrophobicContact CZ-CD2 4.03Å; V277-Y281 HydrophobicContact CG1-CD2 3.79Å; V277-Y281 HydrophobicContact CG1-CE2 3.76Å; V277-Y281 WeakPolarHBondContact O-CD2 3.5Å; V277-Y281 PolarHBondContact O-N 3.48Å; W278-Y281 PolarHBondContact O-N 3.46Å; W278-Y281 VanDerWaalsContact O-N 3.13Å; R279-Y281 VanDerWaalsContact C-N 3.34Å; R279-Y281 PolarHBondContact O-N 3.18Å; Y281-K283 PolarHBondContact O-N 2.85Å; Y281-K283 VanDerWaalsContact O-N 3.12Å; Y281-W284 AromaticContact CD1-CE3 3.77Å; Y281-W284 HydrophobicContact CD1-CE3 3.77Å; Y281-W284 AromaticContact CD1-CZ3 3.54Å; Y281-W284 HydrophobicContact CD1-CZ3 3.54Å; Y281-W284 HydrophobicContact CE1-CE3 4.5Å; Y281-W284 AromaticContact CE1-CZ3 3.84Å; Y281-W284 HydrophobicContact CE1-CZ3 3.84Å; Y281-W284 PolarHBondContact O-N 3.2Å; Y281-L285 PolarHBondContact O-N 3.31Å; Y281-I327 HydrophobicContact CD1-CB 4.03Å; Y281-I327 HydrophobicContact CD1-CG2 3.85Å; Y281-I327 HydrophobicContact CD2-CG2 4.07Å; Y281-I327 HydrophobicContact CE1-CB 3.78Å; Y281-I327 HydrophobicContact CE1-CD1 4.47Å; Y281-I327 HydrophobicContact CE1-CG2 4.07Å; Y281-I327 HydrophobicContact CE2-CB 4.45Å; Y281-I327 HydrophobicContact CE2-CD1 4.04Å; Y281-I327 HydrophobicContact CE2-CG2 4.25Å; Y281-I327 HydrophobicContact CG-CB 4.49Å; Y281-I327 HydrophobicContact CG-CG2 3.86Å
282E92.2Very high94.9Very high110 Ų11061.3 Ų61.351%0.51430%0.299SS..THydrogen-bonded Turntrans-56.5-31-179.373.9-171.6-17800112.9W278 R279 W284 S286W278-E282 WeakPolarHBondContact O-CB 3.49Å; W278-E282 PolarHBondContact O-N 3.38Å; R279-E282 WeakPolarHBondContact O-CG 3.37Å; E282-W284 PolarHBondContact O-N 2.89Å; E282-W284 VanDerWaalsContact O-N 3.15Å; E282-S286 WeakPolarHBondContact O-CB 3.31Å
283K94.5Very high94.9Very high116 Ų11666.9 Ų66.950%0.50432%0.323SS..THydrogen-bonded Turntrans-57.9-28.6175.761.9166.8174.8162.70112.9Y281 N289 D330Y281-K283 PolarHBondContact O-N 2.85Å; Y281-K283 VanDerWaalsContact O-N 3.12Å; K283-N289 PolarHBondContact O-ND2 2.89Å; K283-D330 IonicContact NZ-OD2 3.49Å; K283-D330 PolarHBondContact NZ-OD2 2.88Å
284W95.9Very high94.9Very high29 Ų2967 Ų6711%0.1132%0.323CS..THydrogen-bonded Turntrans-105.7-49.1178.6-52.5-41.1000111.2Y281 E282 S286 N289 L326 I327 R359Y281-W284 AromaticContact CD1-CE3 3.77Å; Y281-W284 HydrophobicContact CD1-CE3 3.77Å; Y281-W284 AromaticContact CD1-CZ3 3.54Å; Y281-W284 HydrophobicContact CD1-CZ3 3.54Å; Y281-W284 HydrophobicContact CE1-CE3 4.5Å; Y281-W284 AromaticContact CE1-CZ3 3.84Å; Y281-W284 HydrophobicContact CE1-CZ3 3.84Å; Y281-W284 PolarHBondContact O-N 3.2Å; E282-W284 PolarHBondContact O-N 2.89Å; E282-W284 VanDerWaalsContact O-N 3.15Å; W284-S286 PolarHBondContact O-N 2.97Å; W284-N289 PolarHBondContact O-ND2 3.05Å; W284-L326 HydrophobicContact CB-CD2 3.97Å; W284-I327 HydrophobicContact CZ3-CB 4.45Å; W284-R359 VanDerWaalsContact CZ2-CZ 3.49Å
285L94.2Very high94.9Very high7 Ų768.8 Ų68.84%0.03733%0.33CS..SBendtrans-9270-177.9-68.7173.4000111.2Q226 F228 Y281 L326 I327 L355Q226-L285 HydrophobicContact CB-CD2 4.32Å; Q226-L285 HydrophobicContact CG-CD2 3.86Å; F228-L285 HydrophobicContact CD2-CD1 4.46Å; F228-L285 HydrophobicContact CE1-CD1 4.01Å; F228-L285 HydrophobicContact CE2-CD1 3.44Å; F228-L285 VanDerWaalsContact CE2-CD1 3.44Å; F228-L285 HydrophobicContact CZ-CD1 3.16Å; Y281-L285 PolarHBondContact O-N 3.31Å; L285-L326 HydrophobicContact CD1-CD2 4.05Å; L285-L326 HydrophobicContact CD2-CD1 3.77Å; L285-L326 HydrophobicContact CD2-CD2 3.37Å; L285-L326 HydrophobicContact CD2-CG 4.18Å; L285-L326 HydrophobicContact CG-CD2 3.45Å; L285-L326 VanDerWaalsContact CG-CD2 3.45Å; L285-I327 HydrophobicContact CD1-CG2 4.07Å; L285-L355 HydrophobicContact CD2-CD1 3.9Å
286S94.1Very high94.6Very high20 Ų2071 Ų7114%0.1434%0.337CS..  trans-134.8143.3176.3167.50000111.9E282 W284 D288 N289E282-S286 WeakPolarHBondContact O-CB 3.31Å; W284-S286 PolarHBondContact O-N 2.97Å; S286-D288 PolarHBondContact O-N 3.32Å; S286-D288 VanDerWaalsContact O-N 3.15Å; S286-D288 WeakPolarHBondContact OG-CB 3.21Å; S286-D288 PolarHBondContact OG-N 2.92Å; S286-N289 WeakPolarHBondContact O-CB 3.45Å; S286-N289 PolarHBondContact O-N 2.86Å; S286-N289 VanDerWaalsContact O-N 3.07Å
287P94.8Very high94.3Very high35 Ų3570.4 Ų70.423%0.22733%0.327CS..G310 helixtrans-60.3-16.8169.928.7-38.1000113.4P233 N289 I290 K295 Y299P233-P287 HydrophobicContact CG-CB 4.28Å; P287-N289 VanDerWaalsContact C-N 3.26Å; P287-N289 PolarHBondContact O-N 3.05Å; P287-I290 WeakPolarHBondContact O-CB 3.49Å; P287-I290 PolarHBondContact O-N 3.08Å; P287-I290 VanDerWaalsContact O-N 3.16Å; P287-K295 PolarHBondContact O-NZ 2.92Å; P287-Y299 HydrophobicContact CB-CE1 4.14Å; P287-Y299 WeakPolarHBondContact CB-OH 3.41Å; P287-Y299 VanDerWaalsContact CG-OH 3.26Å; P287-Y299 WeakPolarHBondContact CG-OH 3.38Å
288D95Very high93.9Very high133 Ų13372.2 Ų72.271%0.71135%0.35SS*.G310 helixtrans-70.2-27.2175.2-65.9-30.6000112.1S286 I290S286-D288 PolarHBondContact O-N 3.32Å; S286-D288 VanDerWaalsContact O-N 3.15Å; S286-D288 WeakPolarHBondContact OG-CB 3.21Å; S286-D288 PolarHBondContact OG-N 2.92Å; D288-I290 PolarHBondContact O-N 2.98Å
289N97Very high94Very high38 Ų3872.5 Ų72.520%0.20335%0.351CS..G310 helixtrans-76.3-3.7172.9-71.5-32.8000113K283 W284 S286 P287 L355 K358K283-N289 PolarHBondContact O-ND2 2.89Å; W284-N289 PolarHBondContact O-ND2 3.05Å; S286-N289 WeakPolarHBondContact O-CB 3.45Å; S286-N289 PolarHBondContact O-N 2.86Å; S286-N289 VanDerWaalsContact O-N 3.07Å; P287-N289 VanDerWaalsContact C-N 3.26Å; P287-N289 PolarHBondContact O-N 3.05Å; N289-L355 HydrophobicContact CB-CD2 3.41Å; N289-L355 VanDerWaalsContact CB-CD2 3.41Å; N289-K358 HydrophobicContact CB-CD 3.96Å; N289-K358 WeakPolarHBondContact OD1-CE 3.49Å
290I97.7Very high93.9Very high3 Ų370.5 Ų70.52%0.01535%0.349CS..SBendtrans-95.6124.5176.9-53.9-59.2000110.4P233 P287 D288 K292 F294 K295 D351 L354 L355P233-I290 HydrophobicContact CG-CB 4.43Å; P233-I290 HydrophobicContact CG-CG1 4.38Å; P233-I290 HydrophobicContact CG-CG2 4.32Å; P287-I290 WeakPolarHBondContact O-CB 3.49Å; P287-I290 PolarHBondContact O-N 3.08Å; P287-I290 VanDerWaalsContact O-N 3.16Å; D288-I290 PolarHBondContact O-N 2.98Å; I290-K292 PolarHBondContact O-N 3.45Å; I290-F294 HydrophobicContact CG2-CB 3.81Å; I290-K295 HydrophobicContact CB-CD 4.42Å; I290-K295 HydrophobicContact CG2-CG 4.14Å; I290-K295 WeakPolarHBondContact O-CE 3.29Å; I290-K295 PolarHBondContact O-NZ 3.33Å; I290-K295 VanDerWaalsContact O-NZ 3.16Å; I290-D351 HydrophobicContact CD1-CB 3.7Å; I290-D351 HydrophobicContact CG1-CB 4.4Å; I290-L354 HydrophobicContact CD1-CB 4.13Å; I290-L354 HydrophobicContact CD1-CD1 4.44Å; I290-L354 HydrophobicContact CG2-CD1 4.3Å; I290-L355 HydrophobicContact CD1-CD1 4.42Å; I290-L355 HydrophobicContact CD1-CD2 3.52Å; I290-L355 HydrophobicContact CD1-CG 3.72Å; I290-L355 HydrophobicContact CG1-CD2 4.31Å
291P96.8Very high93.7Very high65 Ų6570 Ų7042%0.42236%0.358SS..  trans-54.8139.8177-26.233.2000112.8K293 F294P291-K293 HydrophobicContact CB-CG 4.35Å; P291-K293 PolarHBondContact O-N 3.46Å; P291-F294 HydrophobicContact CB-CD2 3.95Å; P291-F294 HydrophobicContact CB-CE2 4.44Å; P291-F294 HydrophobicContact CG-CD2 4.06Å; P291-F294 HydrophobicContact CG-CE2 4.33Å; P291-F294 PolarHBondContact O-N 3.25Å
292K95.4Very high93.4Very high176 Ų17672.4 Ų72.477%0.76537%0.367SS*.G310 helixtrans-50.7-39.2-175.7-68.4-174.7-179.7-179.60113.5I290 F294 K295 N296I290-K292 PolarHBondContact O-N 3.45Å; K292-F294 PolarHBondContact O-N 3.27Å; K292-K295 PolarHBondContact O-N 2.96Å; K292-N296 PolarHBondContact O-OD1 2.82Å
293K95.2Very high93.1Very high120 Ų12071.6 Ų71.652%0.52237%0.374SS..G310 helixtrans-54.6-29179.468.9175.6-173.4167.50114P291 N296P291-K293 HydrophobicContact CB-CG 4.35Å; P291-K293 PolarHBondContact O-N 3.46Å; K293-N296 PolarHBondContact O-ND2 3.25Å
294F96.5Very high92.6Very high6 Ų668.4 Ų68.43%0.02637%0.365CS..G310 helixtrans-88.5-5.2-179.6-66.7-58.2000113.6Q237 I290 P291 K292 E345 R350 L354 W369 H371Q237-F294 PolarHBondContact NE2-O 3.18Å; Q237-F294 PolarHBondContact OE1-O 3.24Å; I290-F294 HydrophobicContact CG2-CB 3.81Å; P291-F294 HydrophobicContact CB-CD2 3.95Å; P291-F294 HydrophobicContact CB-CE2 4.44Å; P291-F294 HydrophobicContact CG-CD2 4.06Å; P291-F294 HydrophobicContact CG-CE2 4.33Å; P291-F294 PolarHBondContact O-N 3.25Å; K292-F294 PolarHBondContact O-N 3.27Å; F294-E345 WeakPolarHBondContact CD1-OE2 3.36Å; F294-E345 WeakPolarHBondContact CE1-OE2 3.45Å; F294-R350 PolarHBondContact O-NH2 2.78Å; F294-L354 HydrophobicContact CB-CD1 4.46Å; F294-L354 HydrophobicContact CD2-CD1 3.47Å; F294-L354 VanDerWaalsContact CD2-CD1 3.47Å; F294-L354 HydrophobicContact CD2-CD2 4.47Å; F294-L354 HydrophobicContact CE2-CD1 3.7Å; F294-L354 HydrophobicContact CE2-CD2 3.89Å; F294-L354 HydrophobicContact CE2-CG 4.47Å; F294-L354 HydrophobicContact CG-CD1 3.97Å; F294-L354 HydrophobicContact CZ-CD1 4.38Å; F294-L354 HydrophobicContact CZ-CD2 4.44Å; F294-W369 HydrophobicContact CE2-CH2 4.05Å; F294-W369 HydrophobicContact CE2-CZ2 4.37Å; F294-W369 AromaticContact CZ-CH2 3.88Å; F294-W369 HydrophobicContact CZ-CH2 3.88Å; F294-W369 HydrophobicContact CZ-CZ2 4.08Å; F294-H371 AromaticContact CE1-CE1 3.65Å; F294-H371 AromaticContact CE1-NE2 3.49Å; F294-H371 WeakPolarHBondContact CE1-NE2 3.29Å; F294-H371 AromaticContact CZ-CE1 3.98Å; F294-H371 AromaticContact CZ-NE2 3.95Å
295K94.7Very high92.1Very high48 Ų4868.9 Ų68.921%0.20938%0.379CS..G310 helixtrans-97.9-0.4-179.9-62.4-169.3-81.9-160.60113.5P233 Q237 P287 I290 K292 R297 Y299P233-K295 HydrophobicContact CB-CG 4.08Å; P233-K295 HydrophobicContact CG-CD 4.01Å; P233-K295 HydrophobicContact CG-CG 3.73Å; Q237-K295 VanDerWaalsContact NE2-C 3.31Å; Q237-K295 PolarHBondContact NE2-O 2.95Å; P287-K295 PolarHBondContact O-NZ 2.92Å; I290-K295 HydrophobicContact CB-CD 4.42Å; I290-K295 HydrophobicContact CG2-CG 4.14Å; I290-K295 WeakPolarHBondContact O-CE 3.29Å; I290-K295 PolarHBondContact O-NZ 3.33Å; I290-K295 VanDerWaalsContact O-NZ 3.16Å; K292-K295 PolarHBondContact O-N 2.96Å; K295-R297 PolarHBondContact O-N 3.25Å; K295-Y299 HydrophobicContact CB-CD1 4.34Å; K295-Y299 HydrophobicContact CD-CD1 4.27Å; K295-Y299 HydrophobicContact CD-CE1 4.39Å; K295-Y299 HydrophobicContact CG-CD1 4.45Å; K295-Y299 WeakPolarHBondContact O-CB 3.3Å
296N87.9Confident92Very high123 Ų12374.3 Ų74.366%0.65841%0.414SS*.THydrogen-bonded Turntrans-77.3-11-166.3-65.5-15.6000115.7K292 K293 G298K292-N296 PolarHBondContact O-OD1 2.82Å; K293-N296 PolarHBondContact O-ND2 3.25Å; N296-G298 PolarHBondContact O-N 3.18Å
297R88.5Confident92.1Very high92 Ų9277.2 Ų77.235%0.34742%0.424SS..THydrogen-bonded Turntrans-96.252.4-174.9-61.8-172.9-66.1-171.5-0.9113.1Q237 N238 K295 E345Q237-R297 HydrophobicContact CB-CB 4.38Å; Q237-R297 HydrophobicContact CG-CB 3.86Å; Q237-R297 WeakPolarHBondContact CG-O 3.3Å; Q237-R297 VanDerWaalsContact NE2-N 3.2Å; N238-R297 PolarHBondContact OD1-NH2 3.44Å; N238-R297 VanDerWaalsContact OD1-NH2 3.16Å; K295-R297 PolarHBondContact O-N 3.25Å; R297-E345 IonicContact CZ-OE1 3.54Å; R297-E345 IonicContact NE-OE1 3.87Å; R297-E345 IonicContact NH1-OE1 2.83Å; R297-E345 PolarHBondContact NH2-O 2.91Å; R297-E345 IonicContact NH2-OE1 3.1Å; R297-E345 PolarHBondContact NH2-OE1 3.35Å
298G84Confident92.2Very high57 Ų5778 Ų7859%0.58843%0.427SS*.THydrogen-bonded Turntrans74.625.7174.400000115.2N296 Q300N296-G298 PolarHBondContact O-N 3.18Å; G298-Q300 PolarHBondContact O-N 2.92Å
299Y94.3Very high92.3Very high36 Ų3677.8 Ų77.814%0.14142%0.422CS..  trans-60.8132.3171.7168.4-114000110.6P233 P287 K295P233-Y299 HydrophobicContact CB-CD2 3.9Å; P233-Y299 HydrophobicContact CB-CE2 4.42Å; P233-Y299 HydrophobicContact CB-CG 4.01Å; P233-Y299 HydrophobicContact CG-CD1 4.19Å; P233-Y299 HydrophobicContact CG-CD2 3.83Å; P233-Y299 HydrophobicContact CG-CE1 4.26Å; P233-Y299 HydrophobicContact CG-CE2 3.89Å; P233-Y299 HydrophobicContact CG-CG 3.97Å; P287-Y299 HydrophobicContact CB-CE1 4.14Å; P287-Y299 WeakPolarHBondContact CB-OH 3.41Å; P287-Y299 VanDerWaalsContact CG-OH 3.26Å; P287-Y299 WeakPolarHBondContact CG-OH 3.38Å; K295-Y299 HydrophobicContact CB-CD1 4.34Å; K295-Y299 HydrophobicContact CD-CD1 4.27Å; K295-Y299 HydrophobicContact CD-CE1 4.39Å; K295-Y299 HydrophobicContact CG-CD1 4.45Å; K295-Y299 WeakPolarHBondContact O-CB 3.3Å
300Q93.6Very high92.3Very high126 Ų12678.4 Ų78.459%0.58943%0.432SS*.  trans-112.2131.2172-62.7-57.7-38.700109.8Q236 G298 W302Q236-Q300 PolarHBondContact NE2-O 2.7Å; Q236-Q300 PolarHBondContact OE1-O 2.88Å; G298-Q300 PolarHBondContact O-N 2.92Å; Q300-W302 PolarHBondContact O-N 3.23Å
301P90.9Very high92.2Very high108 Ų10878.2 Ų78.270%0.70143%0.431SS*.  trans-51.6137.5169.9-25.534.8000110.5
302W89.2Confident92.2Very high72 Ų7278.2 Ų78.227%0.27342%0.423SS..  trans-130145.1-176.7163.183.8000109.5Q231 N269 W278 Q300 P304Q231-W302 HydrophobicContact CB-CB 4.19Å; Q231-W302 HydrophobicContact CB-CD2 3.37Å; Q231-W302 HydrophobicContact CB-CE3 3.35Å; Q231-W302 HydrophobicContact CB-CG 3.75Å; Q231-W302 HydrophobicContact CB-CH2 4.38Å; Q231-W302 HydrophobicContact CB-CZ2 4.45Å; Q231-W302 HydrophobicContact CB-CZ3 3.87Å; Q231-W302 HydrophobicContact CG-CD2 3.51Å; Q231-W302 HydrophobicContact CG-CE3 3.9Å; Q231-W302 HydrophobicContact CG-CG 3.87Å; Q231-W302 HydrophobicContact CG-CH2 4.26Å; Q231-W302 HydrophobicContact CG-CZ2 3.96Å; Q231-W302 HydrophobicContact CG-CZ3 4.24Å; N269-W302 WeakPolarHBondContact O-CZ2 3.09Å; W278-W302 HydrophobicContact CH2-CH2 4.25Å; W278-W302 HydrophobicContact CH2-CZ3 4.44Å; W278-W302 AromaticContact CZ2-CH2 3.86Å; W278-W302 HydrophobicContact CZ2-CH2 3.86Å; W278-W302 HydrophobicContact CZ2-CZ3 4.45Å; Q300-W302 PolarHBondContact O-N 3.23Å; W302-P304 HydrophobicContact CH2-CB 4.16Å; W302-P304 HydrophobicContact CH2-CG 3.59Å; W302-P304 VanDerWaalsContact CZ2-CA 3.48Å; W302-P304 HydrophobicContact CZ2-CB 3.91Å; W302-P304 HydrophobicContact CZ2-CG 3.81Å; W302-P304 HydrophobicContact CZ3-CG 4.25Å
303S85.4Confident92.2Very high94 Ų9475.3 Ų75.366%0.65742%0.415SS*.  trans-129.6143.5169.555.20000108.9
304P83.6Confident92.2Very high49 Ų4973.8 Ų73.832%0.31841%0.41SS..  trans-58.3142.5175.9-16.225.2000111.3W278 W302W278-P304 HydrophobicContact CD2-CG 4.34Å; W278-P304 HydrophobicContact CG-CG 4.32Å; W278-P304 HydrophobicContact CZ2-CG 4.42Å; W278-P304 VanDerWaalsContact NE1-CG 3.31Å; W302-P304 HydrophobicContact CH2-CB 4.16Å; W302-P304 HydrophobicContact CH2-CG 3.59Å; W302-P304 VanDerWaalsContact CZ2-CA 3.48Å; W302-P304 HydrophobicContact CZ2-CB 3.91Å; W302-P304 HydrophobicContact CZ2-CG 3.81Å; W302-P304 HydrophobicContact CZ3-CG 4.25Å
305G85Confident92.1Very high39 Ų3973.7 Ų73.740%0.40241%0.41SS..  trans-70.2-171.3168.300000112.5F307G305-F307 PolarHBondContact O-N 2.84Å
306P92Very high92Very high120 Ų12073.6 Ų73.678%0.77941%0.414SS*.SBendtrans-53.3134.5176-24.233.8000111.7T271 N308T271-P306 WeakPolarHBondContact CB-O 3.18Å; P306-N308 PolarHBondContact O-N 3.24Å
307F96.6Very high92.3Very high81 Ų8171.7 Ų71.736%0.35540%0.4SS..  trans-57.7132.7179.7173.3-119.1000111.2T271 P274 G305 E309 Y312T271-F307 WeakPolarHBondContact O-CD2 3.21Å; P274-F307 HydrophobicContact CB-CE2 4.08Å; P274-F307 HydrophobicContact CB-CZ 4.35Å; P274-F307 HydrophobicContact CG-CD2 4.47Å; P274-F307 HydrophobicContact CG-CE2 3.63Å; P274-F307 HydrophobicContact CG-CZ 3.84Å; G305-F307 PolarHBondContact O-N 2.84Å; F307-E309 HydrophobicContact CD1-CB 4.4Å; F307-E309 HydrophobicContact CE1-CB 3.73Å; F307-E309 HydrophobicContact CE1-CG 4.17Å; F307-E309 HydrophobicContact CZ-CB 4.21Å; F307-Y312 HydrophobicContact CE2-CD1 4.45Å; F307-Y312 AromaticContact CE2-CG 3.93Å; F307-Y312 HydrophobicContact CE2-CG 3.93Å; F307-Y312 AromaticContact CZ-CD1 3.84Å; F307-Y312 HydrophobicContact CZ-CD1 3.84Å; F307-Y312 AromaticContact CZ-CG 3.77Å; F307-Y312 HydrophobicContact CZ-CG 3.77Å
308N96.8Very high92.7Very high52 Ų5267.4 Ų67.428%0.27838%0.384SS..  trans-10999.4176.5-173.3-29000109.3T271 P306 A310 A311 Y312T271-N308 PolarHBondContact O-N 3.49Å; P306-N308 PolarHBondContact O-N 3.24Å; N308-A310 PolarHBondContact O-N 2.97Å; N308-A310 PolarHBondContact OD1-N 3.08Å; N308-A311 HydrophobicContact CB-CB 3.96Å; N308-A311 PolarHBondContact O-N 2.98Å; N308-A311 PolarHBondContact OD1-N 3.19Å; N308-Y312 PolarHBondContact O-N 3.07Å
309E96.7Very high93.3Very high129 Ų12966.2 Ų66.260%0.60336%0.364SS*.Hα-helixtrans-63.8-40.2-177.1-174.1174-161.900112.9F307 A311 Y312 L313F307-E309 HydrophobicContact CD1-CB 4.4Å; F307-E309 HydrophobicContact CE1-CB 3.73Å; F307-E309 HydrophobicContact CE1-CG 4.17Å; F307-E309 HydrophobicContact CZ-CB 4.21Å; E309-A311 PolarHBondContact O-N 3.33Å; E309-Y312 WeakPolarHBondContact O-CB 3.29Å; E309-Y312 PolarHBondContact O-N 3.37Å; E309-L313 WeakPolarHBondContact O-CG 3.49Å; E309-L313 PolarHBondContact O-N 3.25Å
310A97Very high93.4Very high50 Ų5067.8 Ų67.841%0.41337%0.373SS..Hα-helixtrans-64.2-42.9178.800000111.6W263 N308 Y312 L313 E314W263-A310 HydrophobicContact CH2-CB 3.44Å; W263-A310 VanDerWaalsContact CH2-CB 3.44Å; W263-A310 HydrophobicContact CZ2-CB 3.78Å; W263-A310 HydrophobicContact CZ3-CB 4.36Å; N308-A310 PolarHBondContact O-N 2.97Å; N308-A310 PolarHBondContact OD1-N 3.08Å; A310-Y312 VanDerWaalsContact C-N 3.31Å; A310-Y312 PolarHBondContact O-N 3.01Å; A310-L313 PolarHBondContact O-N 3.22Å; A310-E314 PolarHBondContact O-N 3.19Å
311A96.3Very high93.5Very high0 Ų064.9 Ų64.90%036%0.364CS..Hα-helixtrans-63.3-37.9173.800000112.1W263 A266 C272 N308 E309 E314 A315W263-A311 HydrophobicContact CD2-CB 3.76Å; W263-A311 HydrophobicContact CE3-CB 3.37Å; W263-A311 HydrophobicContact CG-CB 4.27Å; W263-A311 HydrophobicContact CZ3-CB 3.83Å; A266-A311 HydrophobicContact CB-CB 3.62Å; C272-A311 HydrophobicContact CB-CB 3.69Å; N308-A311 HydrophobicContact CB-CB 3.96Å; N308-A311 PolarHBondContact O-N 2.98Å; N308-A311 PolarHBondContact OD1-N 3.19Å; E309-A311 PolarHBondContact O-N 3.33Å; A311-E314 PolarHBondContact O-N 3.45Å; A311-A315 WeakPolarHBondContact O-CB 3.48Å; A311-A315 PolarHBondContact O-N 3.23Å
312Y96.3Very high93.8Very high65 Ų6562.2 Ų62.226%0.25534%0.342SS..Hα-helixtrans-63.3-46.1177.8168.1-113.1000112.5C272 P274 F307 N308 E309 A310 E314 A315 T316 L319C272-Y312 WeakPolarHBondContact O-CA 3.26Å; C272-Y312 WeakPolarHBondContact O-CB 3.4Å; C272-Y312 VanDerWaalsContact O-CD2 3.31Å; C272-Y312 WeakPolarHBondContact O-CD2 3.39Å; P274-Y312 HydrophobicContact CG-CD1 4.3Å; P274-Y312 HydrophobicContact CG-CD2 3.73Å; P274-Y312 HydrophobicContact CG-CE1 4.18Å; P274-Y312 HydrophobicContact CG-CE2 3.59Å; P274-Y312 HydrophobicContact CG-CG 4.07Å; F307-Y312 HydrophobicContact CE2-CD1 4.45Å; F307-Y312 AromaticContact CE2-CG 3.93Å; F307-Y312 HydrophobicContact CE2-CG 3.93Å; F307-Y312 AromaticContact CZ-CD1 3.84Å; F307-Y312 HydrophobicContact CZ-CD1 3.84Å; F307-Y312 AromaticContact CZ-CG 3.77Å; F307-Y312 HydrophobicContact CZ-CG 3.77Å; N308-Y312 PolarHBondContact O-N 3.07Å; E309-Y312 WeakPolarHBondContact O-CB 3.29Å; E309-Y312 PolarHBondContact O-N 3.37Å; A310-Y312 VanDerWaalsContact C-N 3.31Å; A310-Y312 PolarHBondContact O-N 3.01Å; Y312-E314 PolarHBondContact O-N 3.11Å; Y312-A315 CarbonylContact O-C 3.14Å; Y312-A315 PolarHBondContact O-N 3.03Å; Y312-T316 HydrophobicContact CD2-CG2 4.44Å; Y312-T316 HydrophobicContact CE1-CG2 4.33Å; Y312-T316 HydrophobicContact CE2-CG2 4.13Å; Y312-T316 WeakPolarHBondContact O-CG2 3.47Å; Y312-T316 PolarHBondContact O-N 3Å; Y312-L319 HydrophobicContact CE2-CD1 3.92Å
313L95.6Very high94.1Very high114 Ų11459.3 Ų59.360%0.59733%0.332SS*.Hα-helixtrans-60.8-30.9-179.4-70.3174.8000112.7E309 A310E309-L313 WeakPolarHBondContact O-CG 3.49Å; E309-L313 PolarHBondContact O-N 3.25Å; A310-L313 PolarHBondContact O-N 3.22Å
314E95.1Very high94.8Very high88 Ų8854.8 Ų54.841%0.41130%0.3SS..Hα-helixtrans-81.5-29.8173.1-69.1-130.3-165.300113I259 A310 A311 Y312I259-E314 WeakPolarHBondContact CG1-O 3.31Å; I259-E314 HydrophobicContact CG2-CB 4.29Å; A310-E314 PolarHBondContact O-N 3.19Å; A311-E314 PolarHBondContact O-N 3.45Å; Y312-E314 PolarHBondContact O-N 3.11Å
315A94.3Very high95.5Very high4 Ų452.5 Ų52.53%0.03329%0.285CS..Hα-helixtrans-96.68.6-174.300000114.4I259 C272 A311 Y312 H317 M318I259-A315 HydrophobicContact CD1-CB 4.1Å; C272-A315 HydrophobicContact CB-CB 4.32Å; A311-A315 WeakPolarHBondContact O-CB 3.48Å; A311-A315 PolarHBondContact O-N 3.23Å; Y312-A315 CarbonylContact O-C 3.14Å; Y312-A315 PolarHBondContact O-N 3.03Å; A315-H317 PolarHBondContact O-N 3.13Å; A315-H317 VanDerWaalsContact O-N 3.14Å; A315-M318 HydrophobicContact CB-CG 4.46Å; A315-M318 HydrophobicContact CB-SD 3.8Å; A315-M318 WeakPolarHBondContact O-CB 3.44Å; A315-M318 WeakPolarHBondContact O-CG 3.49Å; A315-M318 PolarHBondContact O-N 3.2Å
316T93.5Very high96.1Very high47 Ų4750.6 Ų50.629%0.28827%0.266SS..G310 helixtrans-56.4-35.8-173.854.40000113.1Y312 M318 L319Y312-T316 HydrophobicContact CD2-CG2 4.44Å; Y312-T316 HydrophobicContact CE1-CG2 4.33Å; Y312-T316 HydrophobicContact CE2-CG2 4.13Å; Y312-T316 WeakPolarHBondContact O-CG2 3.47Å; Y312-T316 PolarHBondContact O-N 3Å; T316-M318 PolarHBondContact O-N 3.23Å; T316-M318 VanDerWaalsContact O-N 3.14Å; T316-L319 WeakPolarHBondContact O-CB 3.45Å; T316-L319 PolarHBondContact O-N 3.26Å
317H94.8Very high96.3Very high82 Ų8245.1 Ų45.138%0.3823%0.23SC..G310 helixtrans-62.1-19.7178.9-63.6-64.5000113.7L257 A315 L319 E320 N323L257-H317 HydrophobicContact CD2-CB 4.29Å; A315-H317 PolarHBondContact O-N 3.13Å; A315-H317 VanDerWaalsContact O-N 3.14Å; H317-L319 PolarHBondContact O-N 3.26Å; H317-E320 IonicContact CE1-OE1 3.39Å; H317-E320 IonicContact CG-OE1 3.3Å; H317-E320 IonicContact CG-OE2 2.71Å; H317-E320 VanDerWaalsContact ND1-CD 3.31Å; H317-E320 IonicContact ND1-OE1 2.89Å; H317-E320 PolarHBondContact ND1-OE1 3.35Å; H317-E320 IonicContact ND1-OE2 2.66Å; H317-E320 PolarHBondContact ND1-OE2 3.45Å; H317-E320 WeakPolarHBondContact O-CB 3.26Å; H317-E320 PolarHBondContact O-N 2.82Å; H317-N323 PolarHBondContact O-ND2 3.41Å
318M96.6Very high96.4Very high2 Ų241.3 Ų41.31%0.0121%0.214CC..G310 helixtrans-62.1-23.1172.8-70.3177.836.200112.7V227 F228 V253 L257 I259 I267 A315 T316 S324V227-M318 HydrophobicContact CG2-CB 3.75Å; V227-M318 HydrophobicContact CG2-CE 4.35Å; V227-M318 HydrophobicContact CG2-CG 3.76Å; V227-M318 WeakPolarHBondContact O-CE 3.29Å; F228-M318 VanDerWaalsContact CA-CE 3.43Å; F228-M318 HydrophobicContact CB-CE 3.33Å; V253-M318 HydrophobicContact CG1-CG 4.35Å; V253-M318 HydrophobicContact CG1-SD 4.27Å; L257-M318 HydrophobicContact CD1-CB 4.29Å; L257-M318 HydrophobicContact CD1-CG 3.33Å; I259-M318 HydrophobicContact CD1-CG 4.03Å; I259-M318 HydrophobicContact CD1-SD 3.83Å; I267-M318 HydrophobicContact CD1-SD 4.28Å; I267-M318 HydrophobicContact CG1-SD 4.22Å; I267-M318 HydrophobicContact CG2-CE 4.08Å; I267-M318 HydrophobicContact CG2-SD 4.36Å; A315-M318 HydrophobicContact CB-CG 4.46Å; A315-M318 HydrophobicContact CB-SD 3.8Å; A315-M318 WeakPolarHBondContact O-CB 3.44Å; A315-M318 WeakPolarHBondContact O-CG 3.49Å; A315-M318 PolarHBondContact O-N 3.2Å; T316-M318 PolarHBondContact O-N 3.23Å; T316-M318 VanDerWaalsContact O-N 3.14Å; M318-S324 WeakPolarHBondContact O-CB 3.47Å; M318-S324 PolarHBondContact O-OG 3.28Å
319L95.9Very high96.5Very high32 Ų3243.6 Ų43.617%0.16823%0.226CC..G310 helixtrans-96.89.2-178.9-57.3175000113F228 V277 Y312 T316 H317 I327F228-L319 HydrophobicContact CD1-CD2 3.73Å; F228-L319 HydrophobicContact CD2-CD2 4.16Å; F228-L319 HydrophobicContact CE1-CD2 3.76Å; F228-L319 HydrophobicContact CE2-CD2 4.18Å; F228-L319 HydrophobicContact CG-CD2 3.93Å; F228-L319 HydrophobicContact CZ-CD2 3.97Å; V277-L319 HydrophobicContact CG1-CD1 3.91Å; V277-L319 HydrophobicContact CG1-CD2 3.98Å; V277-L319 HydrophobicContact CG2-CD1 4.47Å; Y312-L319 HydrophobicContact CE2-CD1 3.92Å; T316-L319 WeakPolarHBondContact O-CB 3.45Å; T316-L319 PolarHBondContact O-N 3.26Å; H317-L319 PolarHBondContact O-N 3.26Å; L319-I327 WeakPolarHBondContact O-CD1 3.23Å
320E96.6Very high96.5Very high70 Ų7039.3 Ų39.333%0.32721%0.207SC..SBendtrans-83139.5171.5-67169.9167.800110.1H317 E322 N323 S324H317-E320 IonicContact CE1-OE1 3.39Å; H317-E320 IonicContact CG-OE1 3.3Å; H317-E320 IonicContact CG-OE2 2.71Å; H317-E320 VanDerWaalsContact ND1-CD 3.31Å; H317-E320 IonicContact ND1-OE1 2.89Å; H317-E320 PolarHBondContact ND1-OE1 3.35Å; H317-E320 IonicContact ND1-OE2 2.66Å; H317-E320 PolarHBondContact ND1-OE2 3.45Å; H317-E320 WeakPolarHBondContact O-CB 3.26Å; H317-E320 PolarHBondContact O-N 2.82Å; E320-E322 HydrophobicContact CB-CG 4.12Å; E320-E322 PolarHBondContact O-N 2.61Å; E320-N323 PolarHBondContact O-N 3.37Å; E320-N323 PolarHBondContact OE2-ND2 2.77Å; E320-N323 VanDerWaalsContact OE2-ND2 3.15Å; E320-S324 PolarHBondContact O-N 3.33Å
321V96.4Very high96.6Very high64 Ų6443 Ų4339%0.38822%0.216SC..THydrogen-bonded Turntrans-59.4-32.9-176.41740000112.2Q204 N323 S324 P325 I327 A328Q204-V321 VanDerWaalsContact OE1-CG1 3.31Å; V321-N323 PolarHBondContact O-N 3.45Å; V321-S324 CarbonylContact O-C 3.48Å; V321-S324 VanDerWaalsContact O-C 3.27Å; V321-S324 PolarHBondContact O-N 2.71Å; V321-P325 WeakPolarHBondContact O-CA 3.5Å; V321-I327 HydrophobicContact CG2-CG1 4.47Å; V321-A328 HydrophobicContact CG1-CB 3.84Å
322E95.8Very high96.7Very high53 Ų5345 Ų4525%0.24823%0.228CC..THydrogen-bonded Turntrans-65.6-25.8176.256.1175-131.900113.8P160 F163 E320P160-E322 VanDerWaalsContact CB-OE1 3.24Å; P160-E322 WeakPolarHBondContact CB-OE1 3.39Å; F163-E322 HydrophobicContact CD1-CB 4.31Å; F163-E322 WeakPolarHBondContact CD1-OE2 3.44Å; F163-E322 HydrophobicContact CD2-CB 4.06Å; F163-E322 HydrophobicContact CE2-CB 4.31Å; F163-E322 HydrophobicContact CG-CB 4.06Å; E320-E322 HydrophobicContact CB-CG 4.12Å; E320-E322 PolarHBondContact O-N 2.61Å
323N96.9Very high96.8Very high10 Ų1041.9 Ų41.95%0.05322%0.215CC..THydrogen-bonded Turntrans-98.6-26.6178.8-59.7-45.1000112.1S159 Y256 L257 H317 E320 V321S159-N323 PolarHBondContact OG-OD1 3.14Å; Y256-N323 VanDerWaalsContact CE1-OD1 3.28Å; Y256-N323 WeakPolarHBondContact CE1-OD1 3.24Å; Y256-N323 PolarHBondContact OH-OD1 3.07Å; L257-N323 HydrophobicContact CD2-CB 4.45Å; H317-N323 PolarHBondContact O-ND2 3.41Å; E320-N323 PolarHBondContact O-N 3.37Å; E320-N323 PolarHBondContact OE2-ND2 2.77Å; E320-N323 VanDerWaalsContact OE2-ND2 3.15Å; V321-N323 PolarHBondContact O-N 3.45Å
324S98.1Very high96.9Very high0 Ų038.8 Ų38.80%021%0.206CC..  trans-132.171.2177.5-68.80000110.9V225 Q226 V227 M318 E320 V321 L326 I327V225-S324 CarbonylContact O-C 3.52Å; V225-S324 VanDerWaalsContact O-CA 3.29Å; V225-S324 WeakPolarHBondContact O-CA 3.43Å; Q226-S324 WeakPolarHBondContact CA-OG 3.22Å; V227-S324 PolarHBondContact N-OG 3.11Å; M318-S324 WeakPolarHBondContact O-CB 3.47Å; M318-S324 PolarHBondContact O-OG 3.28Å; E320-S324 PolarHBondContact O-N 3.33Å; V321-S324 CarbonylContact O-C 3.48Å; V321-S324 VanDerWaalsContact O-C 3.27Å; V321-S324 PolarHBondContact O-N 2.71Å; S324-L326 PolarHBondContact O-N 2.73Å; S324-I327 WeakPolarHBondContact O-CG1 3.29Å; S324-I327 PolarHBondContact O-N 3.4Å; S324-I327 VanDerWaalsContact O-N 3.12Å
325P98.3Very high97.1Very high0 Ų040.3 Ų40.30%021%0.213CC..G310 helixtrans-62.7-13.8-173.923.2-34.5000114.6A200 A201 Q204 V225 V321 I327 A328A200-P325 HydrophobicContact CB-CB 3.66Å; A200-P325 HydrophobicContact CB-CG 3.71Å; A201-P325 HydrophobicContact CB-CB 4.44Å; Q204-P325 PolarHBondContact NE2-O 3.14Å; Q204-P325 PolarHBondContact OE1-O 3.48Å; V225-P325 HydrophobicContact CB-CG 4.17Å; V225-P325 HydrophobicContact CG1-CG 4.36Å; V225-P325 VanDerWaalsContact O-CD 3.3Å; V225-P325 WeakPolarHBondContact O-CD 3.38Å; V225-P325 VanDerWaalsContact O-N 3.15Å; V321-P325 WeakPolarHBondContact O-CA 3.5Å; P325-I327 PolarHBondContact O-N 3.34Å; P325-A328 WeakPolarHBondContact O-CB 3.42Å; P325-A328 PolarHBondContact O-N 3.35Å
326L98.2Very high97.3Very high0 Ų040.6 Ų40.60%022%0.215CC..G310 helixtrans-63.3-30.4174.5-176.8149.8000113.1V225 W284 L285 S324 A328 L355 Y356V225-L326 HydrophobicContact CB-CB 3.99Å; V225-L326 HydrophobicContact CG2-CB 3.83Å; V225-L326 HydrophobicContact CG2-CD1 3.64Å; V225-L326 HydrophobicContact CG2-CG 4.37Å; V225-L326 VanDerWaalsContact O-CB 3.25Å; V225-L326 WeakPolarHBondContact O-CB 3.49Å; V225-L326 PolarHBondContact O-N 3.3Å; W284-L326 HydrophobicContact CB-CD2 3.97Å; L285-L326 HydrophobicContact CD1-CD2 4.05Å; L285-L326 HydrophobicContact CD2-CD1 3.77Å; L285-L326 HydrophobicContact CD2-CD2 3.37Å; L285-L326 HydrophobicContact CD2-CG 4.18Å; L285-L326 HydrophobicContact CG-CD2 3.45Å; L285-L326 VanDerWaalsContact CG-CD2 3.45Å; S324-L326 PolarHBondContact O-N 2.73Å; L326-A328 VanDerWaalsContact C-N 3.26Å; L326-A328 PolarHBondContact O-N 2.93Å; L326-L355 HydrophobicContact CD1-CB 3.65Å; L326-Y356 HydrophobicContact CB-CD2 4.41Å
327I97.6Very high97.5Very high4 Ų439.5 Ų39.52%0.02121%0.208CC..G310 helixtrans-85.87.7-177.662.5158.2000114F228 Y281 W284 L285 L319 V321 S324 P325F228-I327 HydrophobicContact CE1-CG2 4.01Å; F228-I327 HydrophobicContact CZ-CG2 3.77Å; Y281-I327 HydrophobicContact CD1-CB 4.03Å; Y281-I327 HydrophobicContact CD1-CG2 3.85Å; Y281-I327 HydrophobicContact CD2-CG2 4.07Å; Y281-I327 HydrophobicContact CE1-CB 3.78Å; Y281-I327 HydrophobicContact CE1-CD1 4.47Å; Y281-I327 HydrophobicContact CE1-CG2 4.07Å; Y281-I327 HydrophobicContact CE2-CB 4.45Å; Y281-I327 HydrophobicContact CE2-CD1 4.04Å; Y281-I327 HydrophobicContact CE2-CG2 4.25Å; Y281-I327 HydrophobicContact CG-CB 4.49Å; Y281-I327 HydrophobicContact CG-CG2 3.86Å; W284-I327 HydrophobicContact CZ3-CB 4.45Å; L285-I327 HydrophobicContact CD1-CG2 4.07Å; L319-I327 WeakPolarHBondContact O-CD1 3.23Å; V321-I327 HydrophobicContact CG2-CG1 4.47Å; S324-I327 WeakPolarHBondContact O-CG1 3.29Å; S324-I327 PolarHBondContact O-N 3.4Å; S324-I327 VanDerWaalsContact O-N 3.12Å; P325-I327 PolarHBondContact O-N 3.34Å
328A97.9Very high97.7Very high2 Ų236.8 Ų36.82%0.01720%0.195CC..SBendtrans-58.8150.5173.400000111.8Q204 V321 P325 L326 I333 R359Q204-A328 HydrophobicContact CG-CB 4.46Å; V321-A328 HydrophobicContact CG1-CB 3.84Å; P325-A328 WeakPolarHBondContact O-CB 3.42Å; P325-A328 PolarHBondContact O-N 3.35Å; L326-A328 VanDerWaalsContact C-N 3.26Å; L326-A328 PolarHBondContact O-N 2.93Å; A328-I333 HydrophobicContact CB-CD1 3.93Å; A328-I333 HydrophobicContact CB-CG1 4.3Å; A328-R359 PolarHBondContact O-NH2 3.13Å
329D97.6Very high97.8Very high100 Ų10036.7 Ų36.754%0.53520%0.195SC..  trans-59.6148.1-179.1-66.3-30.6000111.9E331 V332 I333D329-E331 PolarHBondContact O-N 3.14Å; D329-V332 HydrophobicContact CB-CG2 4.39Å; D329-V332 PolarHBondContact O-N 3.4Å; D329-I333 PolarHBondContact O-N 3.09Å; D329-I333 VanDerWaalsContact O-N 3.09Å
330D98.1Very high97.9Very high39 Ų3935.6 Ų35.621%0.20919%0.189CC..Hα-helixtrans-52.8-42.8-179.7-77.3-43.2000111.2K283 V332 I333 A334 R359 Q363K283-D330 IonicContact NZ-OD2 3.49Å; K283-D330 PolarHBondContact NZ-OD2 2.88Å; D330-V332 VanDerWaalsContact C-N 3.3Å; D330-V332 PolarHBondContact O-N 3.16Å; D330-I333 PolarHBondContact O-N 2.88Å; D330-A334 WeakPolarHBondContact O-CB 2.93Å; D330-A334 PolarHBondContact O-N 3.37Å; D330-R359 IonicContact OD1-CZ 3.46Å; D330-R359 IonicContact OD1-NH1 3.26Å; D330-R359 PolarHBondContact OD1-NH1 3.26Å; D330-R359 IonicContact OD1-NH2 3.9Å; D330-R359 PolarHBondContact OD1-NH2 3.09Å; D330-Q363 PolarHBondContact OD1-NE2 3.36Å
331E98.1Very high98Very high128 Ų12832.2 Ų32.260%0.59817%0.173SC*.Hα-helixtrans-63.9-32.8-179.7-63.674.1-163.700112.9D329 Q335D329-E331 PolarHBondContact O-N 3.14Å; E331-Q335 WeakPolarHBondContact O-CG 3.12Å; E331-Q335 PolarHBondContact O-NE2 3.23Å
332V98.4Very high98.1Very high40 Ų4029.2 Ų29.224%0.24216%0.155CC..Hα-helixtrans-75-47.1176.2177.50000109.5Q204 V207 D329 D330 A334 Q335Q204-V332 HydrophobicContact CB-CG1 3.74Å; Q204-V332 HydrophobicContact CG-CG1 3.95Å; V207-V332 HydrophobicContact CG2-CG1 4.13Å; D329-V332 HydrophobicContact CB-CG2 4.39Å; D329-V332 PolarHBondContact O-N 3.4Å; D330-V332 VanDerWaalsContact C-N 3.3Å; D330-V332 PolarHBondContact O-N 3.16Å; V332-A334 VanDerWaalsContact C-N 3.31Å; V332-A334 PolarHBondContact O-N 3.31Å; V332-Q335 PolarHBondContact O-N 3.01Å; V332-Q335 VanDerWaalsContact O-N 3.16Å
333I98.6Very high98.2Very high0 Ų026.7 Ų26.70%014%0.143CC..Hα-helixtrans-59.8-42.1179.7-61.6-60.5000111.1Q204 A328 D329 D330 Q335 L336 Y356 R359 L360 Q363 V365Q204-I333 HydrophobicContact CG-CD1 4.48Å; A328-I333 HydrophobicContact CB-CD1 3.93Å; A328-I333 HydrophobicContact CB-CG1 4.3Å; D329-I333 PolarHBondContact O-N 3.09Å; D329-I333 VanDerWaalsContact O-N 3.09Å; D330-I333 PolarHBondContact O-N 2.88Å; I333-Q335 PolarHBondContact O-N 2.73Å; I333-Q335 VanDerWaalsContact O-N 3.1Å; I333-L336 HydrophobicContact CD1-CD1 3.74Å; I333-L336 HydrophobicContact CG2-CD1 4.4Å; I333-L336 VanDerWaalsContact O-CB 3.3Å; I333-L336 WeakPolarHBondContact O-CB 3.06Å; I333-L336 WeakPolarHBondContact O-CG 3.35Å; I333-L336 PolarHBondContact O-N 3.09Å; I333-Y356 HydrophobicContact CD1-CE2 4.28Å; I333-R359 HydrophobicContact CG1-CG 4.3Å; I333-R359 HydrophobicContact CG2-CG 4.27Å; I333-L360 HydrophobicContact CG2-CD2 4.04Å; I333-Q363 HydrophobicContact CB-CB 4.44Å; I333-Q363 HydrophobicContact CB-CG 4.06Å; I333-Q363 HydrophobicContact CG2-CB 3.88Å; I333-Q363 HydrophobicContact CG2-CG 3.74Å; I333-V365 WeakPolarHBondContact O-CG2 3.49Å
334A98.5Very high98.3Very high49 Ų4926.2 Ų26.241%0.40514%0.14SC..THydrogen-bonded Turntrans-60.7-20.6-18000000114.1D330 V332 Q363D330-A334 WeakPolarHBondContact O-CB 2.93Å; D330-A334 PolarHBondContact O-N 3.37Å; V332-A334 VanDerWaalsContact C-N 3.31Å; V332-A334 PolarHBondContact O-N 3.31Å; A334-Q363 HydrophobicContact CB-CB 4.11Å
335Q98.3Very high98.2Very high120 Ų12027 Ų2756%0.56114%0.144SC*.THydrogen-bonded Turntrans-95.8-1.7-179.7-67.1177.976.300113.4V207 E331 V332 I333V207-Q335 HydrophobicContact CG1-CB 3.67Å; V207-Q335 HydrophobicContact CG1-CG 4.15Å; V207-Q335 VanDerWaalsContact CG1-OE1 3.27Å; V207-Q335 HydrophobicContact CG2-CB 4.09Å; E331-Q335 WeakPolarHBondContact O-CG 3.12Å; E331-Q335 PolarHBondContact O-NE2 3.23Å; V332-Q335 PolarHBondContact O-N 3.01Å; V332-Q335 VanDerWaalsContact O-N 3.16Å; I333-Q335 PolarHBondContact O-N 2.73Å; I333-Q335 VanDerWaalsContact O-N 3.1Å
336L98.6Very high98.1Very high11 Ų1127 Ų276%0.05814%0.144CC..PPolyproline II helixtrans-70.4150.6-177.6-67.4-179.2000112.5Q204 V207 I333 Y356 L360 V365Q204-L336 HydrophobicContact CB-CD2 4.45Å; Q204-L336 HydrophobicContact CG-CD1 4.04Å; Q204-L336 HydrophobicContact CG-CD2 3.86Å; Q204-L336 HydrophobicContact CG-CG 4.48Å; V207-L336 HydrophobicContact CG2-CD2 4.09Å; I333-L336 HydrophobicContact CD1-CD1 3.74Å; I333-L336 HydrophobicContact CG2-CD1 4.4Å; I333-L336 VanDerWaalsContact O-CB 3.3Å; I333-L336 WeakPolarHBondContact O-CB 3.06Å; I333-L336 WeakPolarHBondContact O-CG 3.35Å; I333-L336 PolarHBondContact O-N 3.09Å; L336-Y356 WeakPolarHBondContact CD1-OH 3.46Å; L336-L360 HydrophobicContact CB-CD2 4.31Å; L336-L360 HydrophobicContact CD1-CD2 3.74Å; L336-V365 HydrophobicContact CB-CG2 4.3Å
337P98.3Very high98.1Very high23 Ų2327.1 Ų27.115%0.14915%0.145CC..PPolyproline II helixtrans-70.8166.1177.732.5-37.3000111.6T203 I215 Q218 S339 V365T203-P337 HydrophobicContact CG2-CG 4.5Å; I215-P337 HydrophobicContact CB-CG 4.33Å; I215-P337 HydrophobicContact CG2-CG 4.01Å; I215-P337 VanDerWaalsContact O-CB 3.29Å; I215-P337 WeakPolarHBondContact O-CB 3.2Å; Q218-P337 HydrophobicContact CB-CG 4.41Å; Q218-P337 HydrophobicContact CG-CG 4.31Å; Q218-P337 PolarHBondContact NE2-O 3.3Å; P337-S339 PolarHBondContact O-N 3.46Å; P337-S339 PolarHBondContact O-OG 3.37Å; P337-S339 VanDerWaalsContact O-OG 3.11Å; P337-V365 WeakPolarHBondContact O-CG1 3.49Å
338E98.4Very high98.1Very high25 Ų2527 Ų2712%0.11714%0.144CC..EExtended strand (participates in β ladder)trans-56.3142.6175.166.6174.1106.800111.6R216 A217 Q218 R366 Y403R216-E338 IonicContact CZ-OE1 3.72Å; R216-E338 IonicContact NH1-OE1 3.37Å; R216-E338 PolarHBondContact NH1-OE1 3.49Å; R216-E338 IonicContact NH2-OE1 2.76Å; R216-E338 PolarHBondContact NH2-OE1 3.41Å; A217-E338 CarbonylContact C-O 3.53Å; A217-E338 WeakPolarHBondContact CA-O 3.38Å; A217-E338 HydrophobicContact CB-CG 4.05Å; A217-E338 WeakPolarHBondContact CB-O 3.39Å; Q218-E338 PolarHBondContact N-O 3.02Å; E338-R366 WeakPolarHBondContact CA-O 3.19Å; E338-R366 HydrophobicContact CB-CB 4.01Å; E338-R366 IonicContact OE1-CZ 3.47Å; E338-R366 IonicContact OE1-NH1 3.69Å; E338-R366 IonicContact OE1-NH2 2.71Å; E338-R366 PolarHBondContact OE1-NH2 3.28Å; E338-Y403 WeakPolarHBondContact CG-OH 3.42Å; E338-Y403 PolarHBondContact O-OH 2.94Å
339S98.6Very high98.2Very high0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-122.5135.6-164.7-58.80000111.6Q218 P337 R366 V367 T368Q218-S339 VanDerWaalsContact CD-OG 3.24Å; Q218-S339 WeakPolarHBondContact CG-OG 3.09Å; Q218-S339 PolarHBondContact NE2-OG 2.85Å; Q218-S339 VanDerWaalsContact NE2-OG 3.08Å; Q218-S339 CarbonylContact O-C 3.58Å; Q218-S339 WeakPolarHBondContact O-CA 3.31Å; P337-S339 PolarHBondContact O-N 3.46Å; P337-S339 PolarHBondContact O-OG 3.37Å; P337-S339 VanDerWaalsContact O-OG 3.11Å; S339-R366 PolarHBondContact N-O 3.31Å; S339-V367 CarbonylContact O-C 3.58Å; S339-V367 WeakPolarHBondContact O-CA 3.48Å; S339-T368 PolarHBondContact O-N 3.46Å
340F98.8Very high98.2Very high9 Ų922.1 Ų22.14%0.03912%0.118CC..EExtended strand (participates in β ladder)trans-109.3116.6167-175.3-95.6000109.4Q218 V219 L220 V342 T368 Y370 A399 I400 Y403Q218-F340 PolarHBondContact O-N 3.35Å; V219-F340 WeakPolarHBondContact CA-O 3.49Å; V219-F340 HydrophobicContact CG1-CD1 4.14Å; V219-F340 HydrophobicContact CG2-CB 4.24Å; L220-F340 PolarHBondContact N-O 3.3Å; F340-V342 HydrophobicContact CD1-CG2 4.02Å; F340-V342 HydrophobicContact CE1-CG2 3.4Å; F340-V342 VanDerWaalsContact CE1-CG2 3.4Å; F340-V342 HydrophobicContact CZ-CG2 4.26Å; F340-T368 CarbonylContact C-O 3.46Å; F340-T368 VanDerWaalsContact CA-O 3.31Å; F340-T368 WeakPolarHBondContact CA-O 3.14Å; F340-T368 HydrophobicContact CD2-CG2 3.54Å; F340-T368 HydrophobicContact CE2-CG2 3.66Å; F340-Y370 HydrophobicContact CZ-CG 4.46Å; F340-A399 HydrophobicContact CE1-CB 4.38Å; F340-A399 HydrophobicContact CZ-CB 3.78Å; F340-I400 HydrophobicContact CE1-CG1 4.16Å; F340-Y403 HydrophobicContact CB-CD1 3.54Å; F340-Y403 HydrophobicContact CB-CD2 3.91Å; F340-Y403 HydrophobicContact CB-CE1 3.46Å; F340-Y403 VanDerWaalsContact CB-CE1 3.46Å; F340-Y403 HydrophobicContact CB-CE2 3.84Å; F340-Y403 HydrophobicContact CB-CG 3.75Å; F340-Y403 HydrophobicContact CD2-CD1 4.26Å; F340-Y403 AromaticContact CD2-CD2 3.5Å; F340-Y403 HydrophobicContact CD2-CD2 3.5Å; F340-Y403 HydrophobicContact CD2-CE2 4.1Å; F340-Y403 AromaticContact CD2-CG 3.57Å; F340-Y403 HydrophobicContact CD2-CG 3.57Å; F340-Y403 HydrophobicContact CE2-CD2 4.37Å; F340-Y403 HydrophobicContact CE2-CG 4.35Å; F340-Y403 AromaticContact CG-CD1 3.94Å; F340-Y403 HydrophobicContact CG-CD1 3.94Å; F340-Y403 AromaticContact CG-CD2 4Å; F340-Y403 HydrophobicContact CG-CD2 4Å; F340-Y403 HydrophobicContact CG-CE1 4.35Å; F340-Y403 HydrophobicContact CG-CE2 4.4Å; F340-Y403 AromaticContact CG-CG 3.73Å; F340-Y403 HydrophobicContact CG-CG 3.73Å
341L98.8Very high98.2Very high0 Ų020.2 Ų20.20%011%0.108CC..EExtended strand (participates in β ladder)trans-109129.4179.8-78.9113.7000111.2L220 P223 Y356 K357 L360 V367 T368 W369 Y370L220-L341 HydrophobicContact CB-CD2 4.41Å; L220-L341 HydrophobicContact CB-CG 4.39Å; L220-L341 HydrophobicContact CD1-CG 4.18Å; L220-L341 WeakPolarHBondContact O-CA 3.39Å; P223-L341 HydrophobicContact CG-CD2 4.41Å; L341-Y356 HydrophobicContact CD2-CD1 4.25Å; L341-K357 HydrophobicContact CD1-CB 4.33Å; L341-L360 HydrophobicContact CD1-CD1 3.85Å; L341-V367 HydrophobicContact CD1-CG1 3.47Å; L341-V367 VanDerWaalsContact CD1-CG1 3.47Å; L341-V367 HydrophobicContact CD1-CG2 4.5Å; L341-T368 PolarHBondContact N-O 2.95Å; L341-W369 WeakPolarHBondContact O-CA 3.37Å; L341-Y370 PolarHBondContact O-N 3.23Å
342V98.8Very high98.3Very high0 Ų014.1 Ų14.10%08%0.079CC..EExtended strand (participates in β ladder)trans-105.2135167.3-177.30000108.9L220 I221 Y222 F340 Y370 L372 I396L220-V342 PolarHBondContact O-N 3.1Å; I221-V342 HydrophobicContact CB-CB 4.49Å; I221-V342 HydrophobicContact CG2-CB 4.07Å; I221-V342 HydrophobicContact CG2-CG1 4.29Å; Y222-V342 WeakPolarHBondContact CA-O 3.16Å; Y222-V342 PolarHBondContact N-O 3.23Å; F340-V342 HydrophobicContact CD1-CG2 4.02Å; F340-V342 HydrophobicContact CE1-CG2 3.4Å; F340-V342 VanDerWaalsContact CE1-CG2 3.4Å; F340-V342 HydrophobicContact CZ-CG2 4.26Å; V342-Y370 VanDerWaalsContact CA-O 3.3Å; V342-Y370 WeakPolarHBondContact CA-O 3.25Å; V342-L372 HydrophobicContact CG1-CD1 3.37Å; V342-I396 HydrophobicContact CG1-CG1 4.03Å; V342-I396 HydrophobicContact CG1-CG2 4.27Å
343S98.4Very high98.3Very high0 Ų012.2 Ų12.20%07%0.068CC..EExtended strand (participates in β ladder)trans-131.4150.6172.258.30000110.5W369 Y370 H371 L372S343-W369 PolarHBondContact OG-NE1 3.18Å; S343-Y370 PolarHBondContact N-O 3.3Å; S343-H371 PolarHBondContact OG-ND1 2.95Å; S343-L372 PolarHBondContact O-N 3.4Å
344C98Very high98.3Very high0 Ų012.7 Ų12.70%07%0.07CC..EExtended strand (participates in β ladder)trans-114.3133.6179.5-75.20000109.6Y222 N346 D347 R350 G375Y222-C344 VanDerWaalsContact CD1-SG 3.57Å; C344-N346 VanDerWaalsContact C-N 3.25Å; C344-N346 PolarHBondContact O-N 3.06Å; C344-D347 HydrophobicContact CB-CB 3.81Å; C344-R350 WeakPolarHBondContact O-CB 3.48Å; C344-R350 WeakPolarHBondContact O-CG 3.3Å; C344-G375 VanDerWaalsContact CB-C 3.5Å
345E96.7Very high98.3Very high17 Ų1710.6 Ų10.68%0.0795%0.052CC..EExtended strand (participates in β ladder)trans-65.5-31.6-179177.655.3-16700112.7N238 F294 R297 D347 R350 H371 L372N238-E345 PolarHBondContact ND2-O 3.5Å; F294-E345 WeakPolarHBondContact CD1-OE2 3.36Å; F294-E345 WeakPolarHBondContact CE1-OE2 3.45Å; R297-E345 IonicContact CZ-OE1 3.54Å; R297-E345 IonicContact NE-OE1 3.87Å; R297-E345 IonicContact NH1-OE1 2.83Å; R297-E345 PolarHBondContact NH2-O 2.91Å; R297-E345 IonicContact NH2-OE1 3.1Å; R297-E345 PolarHBondContact NH2-OE1 3.35Å; E345-D347 PolarHBondContact O-N 3.44Å; E345-R350 IonicContact OE1-NH1 2.74Å; E345-R350 PolarHBondContact OE1-NH1 3.18Å; E345-R350 VanDerWaalsContact OE1-NH1 3.15Å; E345-R350 WeakPolarHBondContact OE2-CD 3.37Å; E345-R350 IonicContact OE2-CZ 2.57Å; E345-R350 IonicContact OE2-NE 3.14Å; E345-R350 IonicContact OE2-NH1 2.63Å; E345-R350 PolarHBondContact OE2-NH1 3.19Å; E345-H371 IonicContact OE2-CE1 2.91Å; E345-H371 IonicContact OE2-NE2 2.66Å; E345-H371 PolarHBondContact OE2-NE2 3.03Å; E345-L372 PolarHBondContact N-O 3.06Å
346N96.2Very high98.3Very high0 Ų04.9 Ų4.90%03%0.026CC..EExtended strand (participates in β ladder)trans-103.154.3-178-47.5-70.6000110.8P34 T36 V241 C344 E373 G375 F376P34-N346 HydrophobicContact CB-CB 4.41Å; P34-N346 WeakPolarHBondContact CB-OD1 3.42Å; P34-N346 HydrophobicContact CG-CB 3.86Å; P34-N346 WeakPolarHBondContact CG-OD1 3.24Å; T36-N346 PolarHBondContact OG1-ND2 3.2Å; T36-N346 PolarHBondContact OG1-OD1 3.09Å; V241-N346 HydrophobicContact CG1-CB 4.24Å; V241-N346 WeakPolarHBondContact CG1-O 3.49Å; C344-N346 VanDerWaalsContact C-N 3.25Å; C344-N346 PolarHBondContact O-N 3.06Å; N346-E373 PolarHBondContact ND2-O 3.27Å; N346-E373 VanDerWaalsContact ND2-O 3.07Å; N346-G375 VanDerWaalsContact CB-O 3.23Å; N346-G375 WeakPolarHBondContact CB-O 3.47Å; N346-G375 PolarHBondContact N-O 3.48Å; N346-G375 VanDerWaalsContact N-O 3.16Å; N346-G375 PolarHBondContact ND2-O 2.85Å; N346-F376 HydrophobicContact CB-CB 4.31Å; N346-F376 WeakPolarHBondContact O-CA 3.29Å
347D97.9Very high98.3Very high2 Ų26.3 Ų6.31%0.0113%0.031CC..  trans-142.1137.1-178.8-168.9-17.6000109.7Y222 S234 N238 C344 E345 L349 R350 H377Y222-D347 WeakPolarHBondContact CB-OD2 3.19Å; S234-D347 WeakPolarHBondContact CB-O 3.21Å; N238-D347 PolarHBondContact ND2-N 2.98Å; N238-D347 VanDerWaalsContact ND2-N 3.2Å; N238-D347 PolarHBondContact ND2-O 3.28Å; C344-D347 HydrophobicContact CB-CB 3.81Å; E345-D347 PolarHBondContact O-N 3.44Å; D347-L349 PolarHBondContact O-N 3.41Å; D347-L349 PolarHBondContact OD1-N 2.94Å; D347-R350 WeakPolarHBondContact O-CB 3.27Å; D347-R350 PolarHBondContact O-N 3.44Å; D347-H377 HydrophobicContact CB-CB 4.47Å; D347-H377 VanDerWaalsContact CG-ND1 3.34Å; D347-H377 IonicContact OD1-CG 3.57Å; D347-H377 IonicContact OD1-ND1 2.69Å; D347-H377 PolarHBondContact OD1-ND1 3.09Å; D347-H377 WeakPolarHBondContact OD2-CB 3.25Å; D347-H377 IonicContact OD2-CE1 3.47Å; D347-H377 IonicContact OD2-CG 2.79Å; D347-H377 IonicContact OD2-ND1 2.67Å; D347-H377 PolarHBondContact OD2-ND1 2.85Å
348I97.9Very high98.3Very high1 Ų18.1 Ų8.11%0.0054%0.037CC..THydrogen-bonded Turntrans-64.1-26.1172.462.3169.6000111.5S234 Y235 N238 L244 L249 R350S234-I348 WeakPolarHBondContact CB-O 3.42Å; S234-I348 PolarHBondContact OG-O 3.47Å; Y235-I348 HydrophobicContact CD1-CB 4.16Å; Y235-I348 HydrophobicContact CD1-CD1 4.25Å; Y235-I348 VanDerWaalsContact CD2-O 3.3Å; Y235-I348 WeakPolarHBondContact CD2-O 3.44Å; Y235-I348 HydrophobicContact CE1-CB 4.44Å; Y235-I348 HydrophobicContact CE1-CD1 4.13Å; Y235-I348 HydrophobicContact CE1-CG1 4.47Å; Y235-I348 VanDerWaalsContact CE2-O 3.28Å; Y235-I348 WeakPolarHBondContact CE2-O 3.04Å; Y235-I348 HydrophobicContact CG-CB 4.37Å; N238-I348 HydrophobicContact CB-CG2 3.9Å; N238-I348 VanDerWaalsContact O-CG2 3.26Å; N238-I348 WeakPolarHBondContact O-CG2 3.42Å; L244-I348 HydrophobicContact CD2-CD1 3.83Å; L244-I348 HydrophobicContact CD2-CG1 3.61Å; L244-I348 HydrophobicContact CG-CD1 3.71Å; L244-I348 HydrophobicContact CG-CG1 3.89Å; L249-I348 HydrophobicContact CB-CD1 3.87Å; L249-I348 HydrophobicContact CD2-CD1 3.76Å; L249-I348 HydrophobicContact CG-CD1 4.4Å; I348-R350 VanDerWaalsContact C-N 3.29Å; I348-R350 PolarHBondContact O-N 3.03Å
349L98.6Very high98.3Very high0 Ų07.1 Ų7.10%03%0.032CC..THydrogen-bonded Turntrans-87.610.7178-50.5-171.4000113.7L224 Y235 L244 L249 D347 D351 D352 S353 H377L224-L349 HydrophobicContact CB-CD1 3.87Å; L224-L349 HydrophobicContact CD1-CD1 4.21Å; L224-L349 HydrophobicContact CD1-CD2 3.6Å; Y235-L349 HydrophobicContact CE1-CD2 4.37Å; Y235-L349 VanDerWaalsContact OH-CD2 3.24Å; Y235-L349 WeakPolarHBondContact OH-CD2 3.11Å; L244-L349 HydrophobicContact CD2-CD1 3.96Å; L244-L349 HydrophobicContact CD2-CD2 4.38Å; L244-L349 HydrophobicContact CD2-CG 3.81Å; L249-L349 HydrophobicContact CD2-CD2 4.23Å; D347-L349 PolarHBondContact O-N 3.41Å; D347-L349 PolarHBondContact OD1-N 2.94Å; L349-D351 VanDerWaalsContact C-N 3.29Å; L349-D351 PolarHBondContact O-N 3.39Å; L349-D352 HydrophobicContact CB-CB 4.29Å; L349-D352 WeakPolarHBondContact O-CB 3.39Å; L349-D352 PolarHBondContact O-N 3.01Å; L349-S353 PolarHBondContact O-N 3.25Å; L349-S353 PolarHBondContact O-OG 3.49Å; L349-S353 VanDerWaalsContact O-OG 3.12Å; L349-H377 VanDerWaalsContact CD1-CE1 3.48Å; L349-H377 WeakPolarHBondContact CD1-CE1 3.35Å
350R98.4Very high98.3Very high0 Ų07.1 Ų7.10%03%0.032CC..Hα-helixtrans-56.2-48.6173.3-175.4-164.664.7-160.4-9.2110.5F294 C344 E345 D347 I348 S353 L354F294-R350 PolarHBondContact O-NH2 2.78Å; C344-R350 WeakPolarHBondContact O-CB 3.48Å; C344-R350 WeakPolarHBondContact O-CG 3.3Å; E345-R350 IonicContact OE1-NH1 2.74Å; E345-R350 PolarHBondContact OE1-NH1 3.18Å; E345-R350 VanDerWaalsContact OE1-NH1 3.15Å; E345-R350 WeakPolarHBondContact OE2-CD 3.37Å; E345-R350 IonicContact OE2-CZ 2.57Å; E345-R350 IonicContact OE2-NE 3.14Å; E345-R350 IonicContact OE2-NH1 2.63Å; E345-R350 PolarHBondContact OE2-NH1 3.19Å; D347-R350 WeakPolarHBondContact O-CB 3.27Å; D347-R350 PolarHBondContact O-N 3.44Å; I348-R350 VanDerWaalsContact C-N 3.29Å; I348-R350 PolarHBondContact O-N 3.03Å; R350-S353 WeakPolarHBondContact O-CB 3.22Å; R350-S353 PolarHBondContact O-N 3.47Å; R350-L354 HydrophobicContact CG-CD1 4.34Å; R350-L354 WeakPolarHBondContact O-CG 3.29Å; R350-L354 PolarHBondContact O-N 2.87Å; R350-L354 VanDerWaalsContact O-N 3.16Å
351D98.6Very high98.3Very high0 Ų010.5 Ų10.50%05%0.048CC..Hα-helixtrans-72.3-31-175.2-66.83000111.9L232 P233 S234 I290 L349 S353 L354 L355L232-D351 HydrophobicContact CB-CB 4.13Å; L232-D351 HydrophobicContact CD1-CB 4.16Å; P233-D351 WeakPolarHBondContact CA-OD2 3.33Å; P233-D351 VanDerWaalsContact CB-OD2 3.28Å; P233-D351 WeakPolarHBondContact CB-OD2 3.46Å; P233-D351 WeakPolarHBondContact CD-OD2 3.48Å; P233-D351 VanDerWaalsContact N-OD2 3.17Å; S234-D351 VanDerWaalsContact CB-CG 3.47Å; S234-D351 WeakPolarHBondContact CB-OD1 3.13Å; S234-D351 PolarHBondContact N-OD2 3.19Å; S234-D351 WeakPolarHBondContact OG-CB 3.4Å; S234-D351 PolarHBondContact OG-N 3.45Å; S234-D351 VanDerWaalsContact OG-N 3.15Å; S234-D351 PolarHBondContact OG-OD1 3.29Å; S234-D351 PolarHBondContact OG-OD2 3.49Å; I290-D351 HydrophobicContact CD1-CB 3.7Å; I290-D351 HydrophobicContact CG1-CB 4.4Å; L349-D351 VanDerWaalsContact C-N 3.29Å; L349-D351 PolarHBondContact O-N 3.39Å; D351-S353 PolarHBondContact O-N 3.27Å; D351-L354 PolarHBondContact O-N 3.44Å; D351-L354 VanDerWaalsContact O-N 3.14Å; D351-L355 WeakPolarHBondContact O-CB 3.47Å; D351-L355 VanDerWaalsContact O-CG 3.27Å; D351-L355 WeakPolarHBondContact O-CG 3.44Å; D351-L355 PolarHBondContact O-N 3.48Å
352D98.6Very high98.3Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-51.9-45.9167.6-83.2-120.3000111.4P223 V225 Q226 Y235 L349 Y356P223-D352 WeakPolarHBondContact O-CB 3.43Å; V225-D352 HydrophobicContact CG2-CB 3.87Å; V225-D352 WeakPolarHBondContact CG2-O 3.21Å; V225-D352 PolarHBondContact N-OD1 3.04Å; Q226-D352 PolarHBondContact N-OD1 3.3Å; Q226-D352 PolarHBondContact NE2-OD2 3.35Å; Y235-D352 WeakPolarHBondContact CE2-OD2 3.32Å; Y235-D352 PolarHBondContact OH-OD2 3.31Å; L349-D352 HydrophobicContact CB-CB 4.29Å; L349-D352 WeakPolarHBondContact O-CB 3.39Å; L349-D352 PolarHBondContact O-N 3.01Å; D352-Y356 WeakPolarHBondContact O-CB 3.46Å; D352-Y356 PolarHBondContact O-N 3.15Å
353S98.6Very high98.3Very high0 Ų017.5 Ų17.50%08%0.083CC..Hα-helixtrans-66.2-40.8178.9-49.50000111.9P223 L349 R350 D351 K357P223-S353 WeakPolarHBondContact CD-OG 3.44Å; L349-S353 PolarHBondContact O-N 3.25Å; L349-S353 PolarHBondContact O-OG 3.49Å; L349-S353 VanDerWaalsContact O-OG 3.12Å; R350-S353 WeakPolarHBondContact O-CB 3.22Å; R350-S353 PolarHBondContact O-N 3.47Å; D351-S353 PolarHBondContact O-N 3.27Å; S353-K357 VanDerWaalsContact O-CB 3.27Å; S353-K357 WeakPolarHBondContact O-CB 3.35Å; S353-K357 PolarHBondContact O-N 3.16Å
354L98.7Very high98.3Very high10 Ų1020.7 Ų20.75%0.05212%0.116CC..Hα-helixtrans-68.5-42.2179.7-66.8175.2000111.8I290 F294 R350 D351 K358 W369I290-L354 HydrophobicContact CD1-CB 4.13Å; I290-L354 HydrophobicContact CD1-CD1 4.44Å; I290-L354 HydrophobicContact CG2-CD1 4.3Å; F294-L354 HydrophobicContact CB-CD1 4.46Å; F294-L354 HydrophobicContact CD2-CD1 3.47Å; F294-L354 VanDerWaalsContact CD2-CD1 3.47Å; F294-L354 HydrophobicContact CD2-CD2 4.47Å; F294-L354 HydrophobicContact CE2-CD1 3.7Å; F294-L354 HydrophobicContact CE2-CD2 3.89Å; F294-L354 HydrophobicContact CE2-CG 4.47Å; F294-L354 HydrophobicContact CG-CD1 3.97Å; F294-L354 HydrophobicContact CZ-CD1 4.38Å; F294-L354 HydrophobicContact CZ-CD2 4.44Å; R350-L354 HydrophobicContact CG-CD1 4.34Å; R350-L354 WeakPolarHBondContact O-CG 3.29Å; R350-L354 PolarHBondContact O-N 2.87Å; R350-L354 VanDerWaalsContact O-N 3.16Å; D351-L354 PolarHBondContact O-N 3.44Å; D351-L354 VanDerWaalsContact O-N 3.14Å; L354-K358 PolarHBondContact O-N 2.71Å; L354-W369 HydrophobicContact CD2-CH2 4.05Å; L354-W369 HydrophobicContact CD2-CZ2 3.44Å; L354-W369 VanDerWaalsContact CD2-CZ2 3.44Å
355L98.7Very high98.3Very high5 Ų521.2 Ų21.23%0.02612%0.119CC..Hα-helixtrans-69-42.4178.4-64.9179.7000111.2L232 L285 N289 I290 L326 D351 K358 R359L232-L355 HydrophobicContact CD1-CD1 3.57Å; L232-L355 HydrophobicContact CD2-CD1 4.15Å; L285-L355 HydrophobicContact CD2-CD1 3.9Å; N289-L355 HydrophobicContact CB-CD2 3.41Å; N289-L355 VanDerWaalsContact CB-CD2 3.41Å; I290-L355 HydrophobicContact CD1-CD1 4.42Å; I290-L355 HydrophobicContact CD1-CD2 3.52Å; I290-L355 HydrophobicContact CD1-CG 3.72Å; I290-L355 HydrophobicContact CG1-CD2 4.31Å; L326-L355 HydrophobicContact CD1-CB 3.65Å; D351-L355 WeakPolarHBondContact O-CB 3.47Å; D351-L355 VanDerWaalsContact O-CG 3.27Å; D351-L355 WeakPolarHBondContact O-CG 3.44Å; D351-L355 PolarHBondContact O-N 3.48Å; L355-K358 PolarHBondContact O-N 3.41Å; L355-R359 VanDerWaalsContact O-CB 3.31Å; L355-R359 WeakPolarHBondContact O-CB 3.45Å; L355-R359 PolarHBondContact O-N 2.97Å
356Y98.8Very high98.4Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-66.2-39.8176.1-159.1-118.5000112.2A200 Q204 L220 V225 L326 I333 L336 L341 D352 K358 R359 L360A200-Y356 HydrophobicContact CB-CE1 4.07Å; A200-Y356 HydrophobicContact CB-CE2 4.46Å; A200-Y356 WeakPolarHBondContact CB-OH 3.47Å; Q204-Y356 PolarHBondContact NE2-OH 3.31Å; Q204-Y356 VanDerWaalsContact NE2-OH 3.12Å; L220-Y356 HydrophobicContact CD1-CE1 4.41Å; L220-Y356 HydrophobicContact CD2-CD1 4Å; L220-Y356 HydrophobicContact CD2-CE1 3.7Å; V225-Y356 HydrophobicContact CB-CD2 4.37Å; V225-Y356 HydrophobicContact CG1-CD1 4.35Å; V225-Y356 HydrophobicContact CG1-CD2 4.2Å; V225-Y356 HydrophobicContact CG1-CG 4.01Å; L326-Y356 HydrophobicContact CB-CD2 4.41Å; I333-Y356 HydrophobicContact CD1-CE2 4.28Å; L336-Y356 WeakPolarHBondContact CD1-OH 3.46Å; L341-Y356 HydrophobicContact CD2-CD1 4.25Å; D352-Y356 WeakPolarHBondContact O-CB 3.46Å; D352-Y356 PolarHBondContact O-N 3.15Å; Y356-K358 PolarHBondContact O-N 2.91Å; Y356-R359 WeakPolarHBondContact O-CB 3.38Å; Y356-R359 PolarHBondContact O-N 3.25Å; Y356-L360 HydrophobicContact CD1-CD1 3.7Å; Y356-L360 HydrophobicContact CD1-CG 4.32Å; Y356-L360 HydrophobicContact CE1-CD1 3.71Å; Y356-L360 HydrophobicContact CE1-CD2 4.36Å; Y356-L360 HydrophobicContact CE1-CG 4.19Å; Y356-L360 HydrophobicContact CG-CD1 4.45Å; Y356-L360 WeakPolarHBondContact O-CB 3.47Å; Y356-L360 VanDerWaalsContact O-CG 3.28Å; Y356-L360 WeakPolarHBondContact O-CG 3.47Å; Y356-L360 PolarHBondContact O-N 2.89Å
357K98.8Very high98.5Very high41 Ų4129.4 Ų29.418%0.17815%0.152CC..Hα-helixtrans-53.7-52.8170.4167.7-177.5-177.9-63.80111L341 S353 R359 L360 E361 V367 W369L341-K357 HydrophobicContact CD1-CB 4.33Å; S353-K357 VanDerWaalsContact O-CB 3.27Å; S353-K357 WeakPolarHBondContact O-CB 3.35Å; S353-K357 PolarHBondContact O-N 3.16Å; K357-R359 VanDerWaalsContact C-N 3.33Å; K357-R359 PolarHBondContact O-N 3.35Å; K357-L360 PolarHBondContact O-N 3.49Å; K357-E361 WeakPolarHBondContact CE-OE1 3.39Å; K357-E361 IonicContact NZ-OE1 3.9Å; K357-E361 PolarHBondContact NZ-OE1 3.33Å; K357-E361 IonicContact NZ-OE2 3.82Å; K357-E361 PolarHBondContact NZ-OE2 3.03Å; K357-E361 WeakPolarHBondContact O-CG 3.29Å; K357-E361 PolarHBondContact O-N 2.86Å; K357-V367 HydrophobicContact CB-CG1 4.49Å; K357-V367 HydrophobicContact CG-CG1 3.97Å; K357-W369 HydrophobicContact CD-CB 3.82Å; K357-W369 HydrophobicContact CD-CD2 3.88Å; K357-W369 HydrophobicContact CD-CE3 4.25Å; K357-W369 HydrophobicContact CD-CG 3.69Å
358K98.6Very high98.6Very high60 Ų6032.5 Ų32.526%0.26117%0.171SC..Hα-helixtrans-61.1-43.6179.5175.1167.117046.70111.4N289 L354 L355 Y356 L360 E361 D362N289-K358 HydrophobicContact CB-CD 3.96Å; N289-K358 WeakPolarHBondContact OD1-CE 3.49Å; L354-K358 PolarHBondContact O-N 2.71Å; L355-K358 PolarHBondContact O-N 3.41Å; Y356-K358 PolarHBondContact O-N 2.91Å; K358-L360 VanDerWaalsContact C-N 3.31Å; K358-L360 PolarHBondContact O-N 3.17Å; K358-E361 PolarHBondContact O-N 3.41Å; K358-D362 WeakPolarHBondContact CE-OD2 3.37Å; K358-D362 WeakPolarHBondContact CG-OD2 3.38Å; K358-D362 IonicContact NZ-OD1 3.03Å; K358-D362 PolarHBondContact NZ-OD1 2.96Å; K358-D362 IonicContact NZ-OD2 2.69Å; K358-D362 PolarHBondContact NZ-OD2 3.29Å; K358-D362 VanDerWaalsContact O-CB 3.31Å; K358-D362 WeakPolarHBondContact O-CB 3.48Å; K358-D362 PolarHBondContact O-N 3.47Å
359R98.1Very high98.6Very high5 Ų536 Ų362%0.01919%0.185CC..Hα-helixtrans-54.9-46.3177.1-171.581.3-174.790.41.4111.9W284 A328 D330 I333 L355 Y356 K357 Q363W284-R359 VanDerWaalsContact CZ2-CZ 3.49Å; A328-R359 PolarHBondContact O-NH2 3.13Å; D330-R359 IonicContact OD1-CZ 3.46Å; D330-R359 IonicContact OD1-NH1 3.26Å; D330-R359 PolarHBondContact OD1-NH1 3.26Å; D330-R359 IonicContact OD1-NH2 3.9Å; D330-R359 PolarHBondContact OD1-NH2 3.09Å; I333-R359 HydrophobicContact CG1-CG 4.3Å; I333-R359 HydrophobicContact CG2-CG 4.27Å; L355-R359 VanDerWaalsContact O-CB 3.31Å; L355-R359 WeakPolarHBondContact O-CB 3.45Å; L355-R359 PolarHBondContact O-N 2.97Å; Y356-R359 WeakPolarHBondContact O-CB 3.38Å; Y356-R359 PolarHBondContact O-N 3.25Å; K357-R359 VanDerWaalsContact C-N 3.33Å; K357-R359 PolarHBondContact O-N 3.35Å; R359-Q363 WeakPolarHBondContact O-CG 3.47Å; R359-Q363 PolarHBondContact O-N 3.4Å
360L98.8Very high98.6Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-65.8-48.3177.3-71.2165.5000111.7I333 L336 L341 Y356 K357 K358 D362 Q363 G364 V365 V367I333-L360 HydrophobicContact CG2-CD2 4.04Å; L336-L360 HydrophobicContact CB-CD2 4.31Å; L336-L360 HydrophobicContact CD1-CD2 3.74Å; L341-L360 HydrophobicContact CD1-CD1 3.85Å; Y356-L360 HydrophobicContact CD1-CD1 3.7Å; Y356-L360 HydrophobicContact CD1-CG 4.32Å; Y356-L360 HydrophobicContact CE1-CD1 3.71Å; Y356-L360 HydrophobicContact CE1-CD2 4.36Å; Y356-L360 HydrophobicContact CE1-CG 4.19Å; Y356-L360 HydrophobicContact CG-CD1 4.45Å; Y356-L360 WeakPolarHBondContact O-CB 3.47Å; Y356-L360 VanDerWaalsContact O-CG 3.28Å; Y356-L360 WeakPolarHBondContact O-CG 3.47Å; Y356-L360 PolarHBondContact O-N 2.89Å; K357-L360 PolarHBondContact O-N 3.49Å; K358-L360 VanDerWaalsContact C-N 3.31Å; K358-L360 PolarHBondContact O-N 3.17Å; L360-D362 PolarHBondContact O-N 3.35Å; L360-Q363 CarbonylContact O-C 3.59Å; L360-Q363 PolarHBondContact O-N 3Å; L360-Q363 VanDerWaalsContact O-N 3.17Å; L360-G364 PolarHBondContact O-N 3.04Å; L360-V365 HydrophobicContact CB-CB 4.01Å; L360-V365 HydrophobicContact CB-CG1 4.39Å; L360-V365 HydrophobicContact CD2-CB 4.09Å; L360-V365 HydrophobicContact CD2-CG1 4Å; L360-V365 HydrophobicContact CD2-CG2 4.12Å; L360-V365 WeakPolarHBondContact O-CB 3.47Å; L360-V365 PolarHBondContact O-N 3.09Å; L360-V367 HydrophobicContact CB-CG2 3.56Å; L360-V367 HydrophobicContact CD1-CG2 4.01Å; L360-V367 HydrophobicContact CG-CG2 4.45Å
361E98.7Very high98.6Very high80 Ų8041.5 Ų41.537%0.37421%0.207SC..Hα-helixtrans-63.1-41.6-179.8-72.4171.9159.100112.4K357 K358 Q363 G364 V367K357-E361 WeakPolarHBondContact CE-OE1 3.39Å; K357-E361 IonicContact NZ-OE1 3.9Å; K357-E361 PolarHBondContact NZ-OE1 3.33Å; K357-E361 IonicContact NZ-OE2 3.82Å; K357-E361 PolarHBondContact NZ-OE2 3.03Å; K357-E361 WeakPolarHBondContact O-CG 3.29Å; K357-E361 PolarHBondContact O-N 2.86Å; K358-E361 PolarHBondContact O-N 3.41Å; E361-Q363 PolarHBondContact O-N 3.31Å; E361-G364 PolarHBondContact O-N 3.48Å; E361-V367 HydrophobicContact CG-CB 4.05Å; E361-V367 HydrophobicContact CG-CG2 3.91Å
362D98.4Very high98.5Very high88 Ų8841.7 Ų41.747%0.47121%0.208SC..Hα-helixtrans-62.7-23.1177.7-71.8-14000111.9K358 L360K358-D362 WeakPolarHBondContact CE-OD2 3.37Å; K358-D362 WeakPolarHBondContact CG-OD2 3.38Å; K358-D362 IonicContact NZ-OD1 3.03Å; K358-D362 PolarHBondContact NZ-OD1 2.96Å; K358-D362 IonicContact NZ-OD2 2.69Å; K358-D362 PolarHBondContact NZ-OD2 3.29Å; K358-D362 VanDerWaalsContact O-CB 3.31Å; K358-D362 WeakPolarHBondContact O-CB 3.48Å; K358-D362 PolarHBondContact O-N 3.47Å; L360-D362 PolarHBondContact O-N 3.35Å
363Q98.5Very high98.3Very high59 Ų5946.9 Ų46.928%0.27623%0.233SC..THydrogen-bonded Turntrans-100.912175.8-59.1-53.4-57.500113.3D330 I333 A334 R359 L360 E361 V365D330-Q363 PolarHBondContact OD1-NE2 3.36Å; I333-Q363 HydrophobicContact CB-CB 4.44Å; I333-Q363 HydrophobicContact CB-CG 4.06Å; I333-Q363 HydrophobicContact CG2-CB 3.88Å; I333-Q363 HydrophobicContact CG2-CG 3.74Å; A334-Q363 HydrophobicContact CB-CB 4.11Å; R359-Q363 WeakPolarHBondContact O-CG 3.47Å; R359-Q363 PolarHBondContact O-N 3.4Å; L360-Q363 CarbonylContact O-C 3.59Å; L360-Q363 PolarHBondContact O-N 3Å; L360-Q363 VanDerWaalsContact O-N 3.17Å; E361-Q363 PolarHBondContact O-N 3.31Å; Q363-V365 VanDerWaalsContact C-N 3.33Å; Q363-V365 PolarHBondContact O-N 2.95Å
364G98.6Very high98.1Very high66 Ų6647.7 Ų47.768%0.6824%0.237SC*.THydrogen-bonded Turntrans78.49.5175.600000115.3L360 E361L360-G364 PolarHBondContact O-N 3.04Å; E361-G364 PolarHBondContact O-N 3.48Å
365V98.7Very high97.9Very high11 Ų1147.2 Ų47.27%0.06723%0.234CC..  trans-74132174.5-179.40000109.4I333 L336 P337 L360 Q363 V367I333-V365 WeakPolarHBondContact O-CG2 3.49Å; L336-V365 HydrophobicContact CB-CG2 4.3Å; P337-V365 WeakPolarHBondContact O-CG1 3.49Å; L360-V365 HydrophobicContact CB-CB 4.01Å; L360-V365 HydrophobicContact CB-CG1 4.39Å; L360-V365 HydrophobicContact CD2-CB 4.09Å; L360-V365 HydrophobicContact CD2-CG1 4Å; L360-V365 HydrophobicContact CD2-CG2 4.12Å; L360-V365 WeakPolarHBondContact O-CB 3.47Å; L360-V365 PolarHBondContact O-N 3.09Å; Q363-V365 VanDerWaalsContact C-N 3.33Å; Q363-V365 PolarHBondContact O-N 2.95Å; V365-V367 PolarHBondContact O-N 3.33Å
366R98.6Very high97.8Very high161 Ų16147 Ų4761%0.60823%0.233SC*.  trans-68.3124.3175.4-70-172.4-67.2142.68.3110.2E338 S339E338-R366 WeakPolarHBondContact CA-O 3.19Å; E338-R366 HydrophobicContact CB-CB 4.01Å; E338-R366 IonicContact OE1-CZ 3.47Å; E338-R366 IonicContact OE1-NH1 3.69Å; E338-R366 IonicContact OE1-NH2 2.71Å; E338-R366 PolarHBondContact OE1-NH2 3.28Å; S339-R366 PolarHBondContact N-O 3.31Å
367V98.8Very high97.8Very high28 Ų2847.8 Ų47.817%0.1724%0.237CC..EExtended strand (participates in β ladder)trans-121.7128.4179.3-179.70000110.9S339 L341 K357 L360 E361 V365S339-V367 CarbonylContact O-C 3.58Å; S339-V367 WeakPolarHBondContact O-CA 3.48Å; L341-V367 HydrophobicContact CD1-CG1 3.47Å; L341-V367 VanDerWaalsContact CD1-CG1 3.47Å; L341-V367 HydrophobicContact CD1-CG2 4.5Å; K357-V367 HydrophobicContact CB-CG1 4.49Å; K357-V367 HydrophobicContact CG-CG1 3.97Å; L360-V367 HydrophobicContact CB-CG2 3.56Å; L360-V367 HydrophobicContact CD1-CG2 4.01Å; L360-V367 HydrophobicContact CG-CG2 4.45Å; E361-V367 HydrophobicContact CG-CB 4.05Å; E361-V367 HydrophobicContact CG-CG2 3.91Å; V365-V367 PolarHBondContact O-N 3.33Å
368T98.6Very high97.6Very high67 Ų6746.5 Ų46.541%0.41124%0.235SC..EExtended strand (participates in β ladder)trans-102.7128.6161.8-59.90000108.1S339 F340 L341S339-T368 PolarHBondContact O-N 3.46Å; F340-T368 CarbonylContact C-O 3.46Å; F340-T368 VanDerWaalsContact CA-O 3.31Å; F340-T368 WeakPolarHBondContact CA-O 3.14Å; F340-T368 HydrophobicContact CD2-CG2 3.54Å; F340-T368 HydrophobicContact CE2-CG2 3.66Å; L341-T368 PolarHBondContact N-O 2.95Å
369W98.5Very high97.5Very high76 Ų7643.6 Ų43.629%0.28822%0.222SC..EExtended strand (participates in β ladder)trans-123.1130.3-175.9173.155.4000111.3F294 L341 S343 L354 K357 H371F294-W369 HydrophobicContact CE2-CH2 4.05Å; F294-W369 HydrophobicContact CE2-CZ2 4.37Å; F294-W369 AromaticContact CZ-CH2 3.88Å; F294-W369 HydrophobicContact CZ-CH2 3.88Å; F294-W369 HydrophobicContact CZ-CZ2 4.08Å; L341-W369 WeakPolarHBondContact O-CA 3.37Å; S343-W369 PolarHBondContact OG-NE1 3.18Å; L354-W369 HydrophobicContact CD2-CH2 4.05Å; L354-W369 HydrophobicContact CD2-CZ2 3.44Å; L354-W369 VanDerWaalsContact CD2-CZ2 3.44Å; K357-W369 HydrophobicContact CD-CB 3.82Å; K357-W369 HydrophobicContact CD-CD2 3.88Å; K357-W369 HydrophobicContact CD-CE3 4.25Å; K357-W369 HydrophobicContact CD-CG 3.69Å; W369-H371 HydrophobicContact CH2-CB 4.01Å; W369-H371 HydrophobicContact CZ2-CB 3.49Å; W369-H371 VanDerWaalsContact CZ2-CB 3.49Å; W369-H371 AromaticContact CZ2-CG 3.73Å; W369-H371 AromaticContact CZ2-ND1 3.8Å
370Y98.4Very high97.4Very high84 Ų8443.4 Ų43.433%0.32922%0.221SC..EExtended strand (participates in β ladder)trans-122.1115.5177.8-168.2-105.5000110.2F340 L341 V342 S343 L372 K395 A399F340-Y370 HydrophobicContact CZ-CG 4.46Å; L341-Y370 PolarHBondContact O-N 3.23Å; V342-Y370 VanDerWaalsContact CA-O 3.3Å; V342-Y370 WeakPolarHBondContact CA-O 3.25Å; S343-Y370 PolarHBondContact N-O 3.3Å; Y370-L372 HydrophobicContact CD1-CD1 3.68Å; Y370-L372 HydrophobicContact CD1-CG 4.16Å; Y370-L372 HydrophobicContact CE1-CD1 3.77Å; Y370-L372 HydrophobicContact CE1-CD2 4.18Å; Y370-L372 HydrophobicContact CE1-CG 3.79Å; Y370-K395 HydrophobicContact CE1-CB 4.39Å; Y370-A399 HydrophobicContact CD1-CB 3.98Å; Y370-A399 HydrophobicContact CD2-CB 4.44Å; Y370-A399 HydrophobicContact CE1-CB 4.12Å; Y370-A399 HydrophobicContact CG-CB 4.15Å
371H98.2Very high97.1Very high31 Ų3145.9 Ų45.914%0.14423%0.234CC..EExtended strand (participates in β ladder)trans-107.4128.7-178.2-173.268.3000111.1F294 S343 E345 W369 E373F294-H371 AromaticContact CE1-CE1 3.65Å; F294-H371 AromaticContact CE1-NE2 3.49Å; F294-H371 WeakPolarHBondContact CE1-NE2 3.29Å; F294-H371 AromaticContact CZ-CE1 3.98Å; F294-H371 AromaticContact CZ-NE2 3.95Å; S343-H371 PolarHBondContact OG-ND1 2.95Å; E345-H371 IonicContact OE2-CE1 2.91Å; E345-H371 IonicContact OE2-NE2 2.66Å; E345-H371 PolarHBondContact OE2-NE2 3.03Å; W369-H371 HydrophobicContact CH2-CB 4.01Å; W369-H371 HydrophobicContact CZ2-CB 3.49Å; W369-H371 VanDerWaalsContact CZ2-CB 3.49Å; W369-H371 AromaticContact CZ2-CG 3.73Å; W369-H371 AromaticContact CZ2-ND1 3.8Å; H371-E373 IonicContact CD2-OE1 2.77Å; H371-E373 PolarHBondContact CD2-OE1 3.4Å; H371-E373 IonicContact NE2-OE1 3.89Å
372L96.8Very high96.9Very high4 Ų443.5 Ų43.52%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-105.4108.9177.2-68.6103.2000111.5V342 S343 E345 Y370 D374 G375 C392 K395 I396V342-L372 HydrophobicContact CG1-CD1 3.37Å; S343-L372 PolarHBondContact O-N 3.4Å; E345-L372 PolarHBondContact N-O 3.06Å; Y370-L372 HydrophobicContact CD1-CD1 3.68Å; Y370-L372 HydrophobicContact CD1-CG 4.16Å; Y370-L372 HydrophobicContact CE1-CD1 3.77Å; Y370-L372 HydrophobicContact CE1-CD2 4.18Å; Y370-L372 HydrophobicContact CE1-CG 3.79Å; L372-D374 VanDerWaalsContact C-N 3.29Å; L372-D374 PolarHBondContact O-N 2.92Å; L372-G375 PolarHBondContact O-N 3.45Å; L372-G375 VanDerWaalsContact O-N 3.12Å; L372-C392 HydrophobicContact CD2-CB 3.84Å; L372-C392 WeakPolarHBondContact CD2-O 3.18Å; L372-K395 HydrophobicContact CD2-CB 3.87Å; L372-K395 HydrophobicContact CD2-CD 4.23Å; L372-I396 HydrophobicContact CD1-CD1 4.14Å; L372-I396 HydrophobicContact CD1-CG1 3.48Å; L372-I396 VanDerWaalsContact CD1-CG1 3.48Å; L372-I396 HydrophobicContact CD2-CD1 4.27Å; L372-I396 HydrophobicContact CD2-CG1 3.68Å; L372-I396 HydrophobicContact CG-CG1 4.24Å
373E94.9Very high96.5Very high109 Ų10940.2 Ų40.251%0.50921%0.205SC..EExtended strand (participates in β ladder)trans-61.4-35.5174.7-59.9-67.4165.200112.5N346 H371N346-E373 PolarHBondContact ND2-O 3.27Å; N346-E373 VanDerWaalsContact ND2-O 3.07Å; H371-E373 IonicContact CD2-OE1 2.77Å; H371-E373 PolarHBondContact CD2-OE1 3.4Å; H371-E373 IonicContact NE2-OE1 3.89Å
374D93.9Very high96Very high16 Ų1639.6 Ų39.69%0.08620%0.203CC..EExtended strand (participates in β ladder)trans-97.88.9176.966.3-26.5000113.2L37 L372 C392 K395L37-D374 VanDerWaalsContact CD2-O 3.26Å; L37-D374 WeakPolarHBondContact CD2-O 3.33Å; L372-D374 VanDerWaalsContact C-N 3.29Å; L372-D374 PolarHBondContact O-N 2.92Å; D374-C392 PolarHBondContact O-SG 3.24Å; D374-K395 VanDerWaalsContact CG-NZ 3.33Å; D374-K395 IonicContact OD1-NZ 3.74Å; D374-K395 PolarHBondContact OD1-NZ 2.93Å; D374-K395 VanDerWaalsContact OD1-NZ 3.1Å; D374-K395 IonicContact OD2-NZ 3.32Å; D374-K395 PolarHBondContact OD2-NZ 2.89Å
375G95.8Very high95.4Very high0 Ų039.7 Ų39.70%019%0.185CC..EExtended strand (participates in β ladder)trans-80.7150.6178.900000112.3C344 N346 L372C344-G375 VanDerWaalsContact CB-C 3.5Å; N346-G375 VanDerWaalsContact CB-O 3.23Å; N346-G375 WeakPolarHBondContact CB-O 3.47Å; N346-G375 PolarHBondContact N-O 3.48Å; N346-G375 VanDerWaalsContact N-O 3.16Å; N346-G375 PolarHBondContact ND2-O 2.85Å; L372-G375 PolarHBondContact O-N 3.45Å; L372-G375 VanDerWaalsContact O-N 3.12Å
376F96.8Very high94.8Very high0 Ų047.7 Ų47.70%022%0.219CC..EExtended strand (participates in β ladder)trans-140.7166171.961-91.2000110.2L37 L43 F243 N346 G378 S379 F382 F390L37-F376 HydrophobicContact CD2-CD1 3.85Å; L43-F376 HydrophobicContact CD1-CD2 4.14Å; L43-F376 HydrophobicContact CD1-CE1 4.24Å; L43-F376 HydrophobicContact CD1-CE2 3.85Å; L43-F376 HydrophobicContact CD1-CG 4.49Å; L43-F376 HydrophobicContact CD1-CZ 3.88Å; F243-F376 AromaticContact CD2-CD2 3.84Å; F243-F376 HydrophobicContact CD2-CD2 3.84Å; F243-F376 AromaticContact CD2-CE2 3.72Å; F243-F376 HydrophobicContact CD2-CE2 3.72Å; F243-F376 HydrophobicContact CE2-CD2 4.07Å; F243-F376 AromaticContact CE2-CE2 3.51Å; F243-F376 HydrophobicContact CE2-CE2 3.51Å; F243-F376 HydrophobicContact CE2-CZ 4.32Å; N346-F376 HydrophobicContact CB-CB 4.31Å; N346-F376 WeakPolarHBondContact O-CA 3.29Å; F376-G378 PolarHBondContact O-N 2.95Å; F376-S379 WeakPolarHBondContact O-CB 3.27Å; F376-S379 PolarHBondContact O-N 3.44Å; F376-S379 PolarHBondContact O-OG 2.98Å; F376-F382 HydrophobicContact CE2-CD2 4.35Å; F376-F382 HydrophobicContact CE2-CE2 4.14Å; F376-F382 HydrophobicContact CZ-CD2 4.25Å; F376-F382 HydrophobicContact CZ-CE2 4.4Å; F376-F390 HydrophobicContact CE1-CB 4.44Å; F376-F390 AromaticContact CE1-CD1 3.79Å; F376-F390 HydrophobicContact CE1-CD1 3.79Å; F376-F390 HydrophobicContact CE1-CD2 4.31Å; F376-F390 HydrophobicContact CE1-CE1 4.04Å; F376-F390 AromaticContact CE1-CG 3.93Å; F376-F390 HydrophobicContact CE1-CG 3.93Å; F376-F390 HydrophobicContact CE1-CZ 4.4Å; F376-F390 HydrophobicContact CZ-CD1 4.18Å; F376-F390 AromaticContact CZ-CD2 3.9Å; F376-F390 HydrophobicContact CZ-CD2 3.9Å; F376-F390 HydrophobicContact CZ-CE1 4.25Å; F376-F390 AromaticContact CZ-CE2 3.97Å; F376-F390 HydrophobicContact CZ-CE2 3.97Å; F376-F390 AromaticContact CZ-CG 4Å; F376-F390 HydrophobicContact CZ-CG 4Å; F376-F390 HydrophobicContact CZ-CZ 4.15Å
377H97.8Very high94.3Very high18 Ų1843.9 Ų43.98%0.08322%0.222CC..THydrogen-bonded Turntrans-60.7134.1-176.4-161.476.6000112.4S193 Y222 L244 D347 L349 S379S193-H377 VanDerWaalsContact CB-CE1 3.48Å; S193-H377 WeakPolarHBondContact CB-CE1 3.49Å; S193-H377 WeakPolarHBondContact CB-NE2 3.33Å; S193-H377 PolarHBondContact OG-CE1 3.43Å; S193-H377 PolarHBondContact OG-NE2 3.29Å; Y222-H377 AromaticContact CD2-CE1 3.79Å; Y222-H377 AromaticContact CD2-ND1 3.95Å; L244-H377 HydrophobicContact CB-CB 3.75Å; L244-H377 HydrophobicContact CD2-CB 4.22Å; L244-H377 VanDerWaalsContact CD2-CG 3.46Å; L244-H377 WeakPolarHBondContact CD2-ND1 3.06Å; D347-H377 HydrophobicContact CB-CB 4.47Å; D347-H377 VanDerWaalsContact CG-ND1 3.34Å; D347-H377 IonicContact OD1-CG 3.57Å; D347-H377 IonicContact OD1-ND1 2.69Å; D347-H377 PolarHBondContact OD1-ND1 3.09Å; D347-H377 WeakPolarHBondContact OD2-CB 3.25Å; D347-H377 IonicContact OD2-CE1 3.47Å; D347-H377 IonicContact OD2-CG 2.79Å; D347-H377 IonicContact OD2-ND1 2.67Å; D347-H377 PolarHBondContact OD2-ND1 2.85Å; L349-H377 VanDerWaalsContact CD1-CE1 3.48Å; L349-H377 WeakPolarHBondContact CD1-CE1 3.35Å; H377-S379 PolarHBondContact O-N 2.96Å
378G95.6Very high93.8Very high13 Ų1345.7 Ų45.713%0.13423%0.23CC..THydrogen-bonded Turntrans717.2179.800000114.9F376 I380 L381F376-G378 PolarHBondContact O-N 2.95Å; G378-I380 PolarHBondContact O-N 3.4Å; G378-I380 VanDerWaalsContact O-N 3.12Å; G378-L381 PolarHBondContact O-N 3.39Å
379S95.4Very high93.5Very high0 Ų045.4 Ų45.40%022%0.223CC..G310 helixtrans-56.8-28.7-179.453.20000113.3F376 H377 L381 F382 S393 I396F376-S379 WeakPolarHBondContact O-CB 3.27Å; F376-S379 PolarHBondContact O-N 3.44Å; F376-S379 PolarHBondContact O-OG 2.98Å; H377-S379 PolarHBondContact O-N 2.96Å; S379-L381 PolarHBondContact O-N 2.98Å; S379-L381 VanDerWaalsContact O-N 3.13Å; S379-F382 PolarHBondContact O-N 3.37Å; S379-F382 VanDerWaalsContact O-N 3.11Å; S379-S393 WeakPolarHBondContact O-CB 3.37Å; S379-I396 WeakPolarHBondContact OG-CD1 3.33Å
380I96.1Very high93.3Very high0 Ų042.1 Ų42.10%021%0.211CC..G310 helixtrans-57.2-31.2-179.1-156.8171.4000113.3L134 I221 Y222 G378 F382 F383 I396 V397 I400L134-I380 HydrophobicContact CD1-CD1 4.09Å; L134-I380 HydrophobicContact CD1-CG1 4.12Å; L134-I380 HydrophobicContact CD2-CD1 3.75Å; L134-I380 HydrophobicContact CD2-CG1 3.99Å; L134-I380 HydrophobicContact CD2-CG2 4.21Å; I221-I380 HydrophobicContact CD1-CD1 3.71Å; I221-I380 HydrophobicContact CG2-CD1 4.36Å; Y222-I380 VanDerWaalsContact OH-CB 3.28Å; Y222-I380 WeakPolarHBondContact OH-CB 3.44Å; Y222-I380 WeakPolarHBondContact OH-CG2 3.25Å; Y222-I380 PolarHBondContact OH-N 2.91Å; G378-I380 PolarHBondContact O-N 3.4Å; G378-I380 VanDerWaalsContact O-N 3.12Å; I380-F382 PolarHBondContact O-N 3.32Å; I380-F382 VanDerWaalsContact O-N 3.1Å; I380-F383 WeakPolarHBondContact O-CD1 3.31Å; I380-F383 PolarHBondContact O-N 3.29Å; I380-I396 HydrophobicContact CB-CG2 4.47Å; I380-I396 HydrophobicContact CD1-CG2 3.63Å; I380-I396 HydrophobicContact CG1-CG2 3.95Å; I380-V397 HydrophobicContact CD1-CG2 4.16Å; I380-V397 HydrophobicContact CG1-CG2 3.75Å; I380-I400 HydrophobicContact CD1-CD1 3.96Å
381L92.8Very high93.1Very high52 Ų5239.7 Ų39.727%0.27221%0.206SC..G310 helixtrans-66.7-13.4-177.7-73177000113.7Y131 G378 S379 K385Y131-L381 HydrophobicContact CD1-CD2 4.01Å; Y131-L381 HydrophobicContact CD2-CD2 4.14Å; Y131-L381 HydrophobicContact CE1-CD2 3.65Å; Y131-L381 HydrophobicContact CE2-CD1 4.49Å; Y131-L381 HydrophobicContact CE2-CD2 3.79Å; Y131-L381 HydrophobicContact CG-CD2 4.25Å; G378-L381 PolarHBondContact O-N 3.39Å; S379-L381 PolarHBondContact O-N 2.98Å; S379-L381 VanDerWaalsContact O-N 3.13Å; L381-K385 WeakPolarHBondContact O-CE 3.49Å; L381-K385 VanDerWaalsContact O-CG 3.24Å; L381-K385 WeakPolarHBondContact O-CG 3.16Å
382F93.4Very high92.9Very high30 Ų3038.4 Ų38.413%0.13220%0.2CC..G310 helixtrans-95.4-0.7-177.5-61.7-77.5000114L46 F243 F376 S379 I380 D384 K385 L388 F389 F390L46-F382 HydrophobicContact CD1-CD1 4.19Å; L46-F382 HydrophobicContact CD1-CE1 3.67Å; L46-F382 HydrophobicContact CD1-CZ 4.1Å; L46-F382 HydrophobicContact CD2-CE1 4.39Å; F243-F382 HydrophobicContact CE2-CE2 4.05Å; F243-F382 HydrophobicContact CE2-CZ 4.16Å; F243-F382 HydrophobicContact CZ-CE2 4.26Å; F243-F382 AromaticContact CZ-CZ 3.89Å; F243-F382 HydrophobicContact CZ-CZ 3.89Å; F376-F382 HydrophobicContact CE2-CD2 4.35Å; F376-F382 HydrophobicContact CE2-CE2 4.14Å; F376-F382 HydrophobicContact CZ-CD2 4.25Å; F376-F382 HydrophobicContact CZ-CE2 4.4Å; S379-F382 PolarHBondContact O-N 3.37Å; S379-F382 VanDerWaalsContact O-N 3.11Å; I380-F382 PolarHBondContact O-N 3.32Å; I380-F382 VanDerWaalsContact O-N 3.1Å; F382-D384 VanDerWaalsContact C-N 3.29Å; F382-D384 PolarHBondContact O-N 3.14Å; F382-K385 PolarHBondContact O-N 3.22Å; F382-L388 WeakPolarHBondContact CB-O 3.28Å; F382-L388 HydrophobicContact CD1-CB 4.1Å; F382-F389 WeakPolarHBondContact O-CA 3.47Å; F382-F390 HydrophobicContact CB-CD2 3.77Å; F382-F390 HydrophobicContact CB-CE2 4.48Å; F382-F390 HydrophobicContact CD1-CD2 4.42Å; F382-F390 HydrophobicContact CD1-CE2 4.33Å; F382-F390 HydrophobicContact CD2-CD2 4.2Å; F382-F390 HydrophobicContact CD2-CE2 4.4Å; F382-F390 AromaticContact CG-CD2 3.87Å; F382-F390 HydrophobicContact CG-CD2 3.87Å; F382-F390 HydrophobicContact CG-CE2 4.14Å
383F90.4Very high92.8Very high20 Ų2038.2 Ų38.29%0.08820%0.199CC..THydrogen-bonded Turntrans-62.8-30.4-172.490.3-73.3000114.5G133 L134 Y137 I380 F389 S393 V397G133-F383 WeakPolarHBondContact O-CZ 3.29Å; L134-F383 VanDerWaalsContact CA-CZ 3.45Å; L134-F383 HydrophobicContact CB-CD1 4.39Å; L134-F383 HydrophobicContact CB-CE1 3.63Å; L134-F383 HydrophobicContact CB-CZ 4.23Å; L134-F383 HydrophobicContact CD1-CD1 4.1Å; L134-F383 HydrophobicContact CD1-CE1 3.88Å; L134-F383 HydrophobicContact CD1-CZ 4.26Å; L134-F383 HydrophobicContact CG-CE1 4.37Å; Y137-F383 HydrophobicContact CD1-CE2 4.15Å; Y137-F383 AromaticContact CD2-CE2 4Å; Y137-F383 HydrophobicContact CD2-CE2 4Å; Y137-F383 AromaticContact CG-CE2 3.68Å; Y137-F383 HydrophobicContact CG-CE2 3.68Å; Y137-F383 HydrophobicContact CG-CZ 4.28Å; I380-F383 WeakPolarHBondContact O-CD1 3.31Å; I380-F383 PolarHBondContact O-N 3.29Å; F383-F389 VanDerWaalsContact O-CD2 3.29Å; F383-F389 WeakPolarHBondContact O-CD2 3.45Å; F383-F389 WeakPolarHBondContact O-CE2 3.31Å; F383-S393 WeakPolarHBondContact CA-OG 3.34Å; F383-S393 PolarHBondContact N-OG 3.45Å; F383-V397 HydrophobicContact CB-CG2 3.97Å; F383-V397 HydrophobicContact CD1-CG2 4.37Å; F383-V397 HydrophobicContact CD2-CG1 4.4Å; F383-V397 HydrophobicContact CD2-CG2 4.06Å; F383-V397 HydrophobicContact CG-CG2 3.84Å
384D87.7Confident92.9Very high46 Ų4636 Ų3625%0.24619%0.19CC..THydrogen-bonded Turntrans-108.39.6-179.773.5-23.2000113.3F382 K386F382-D384 VanDerWaalsContact C-N 3.29Å; F382-D384 PolarHBondContact O-N 3.14Å; D384-K386 PolarHBondContact O-N 2.78Å
385K85.8Confident93Very high68 Ų6838.8 Ų38.830%0.29620%0.202SC..  trans-95.243.6-166.7-57.8-60-175.5-125.10114.8L381 F382 A387 L388 F389L381-K385 WeakPolarHBondContact O-CE 3.49Å; L381-K385 VanDerWaalsContact O-CG 3.24Å; L381-K385 WeakPolarHBondContact O-CG 3.16Å; F382-K385 PolarHBondContact O-N 3.22Å; K385-A387 PolarHBondContact O-N 3.4Å; K385-L388 HydrophobicContact CB-CB 3.92Å; K385-L388 CarbonylContact O-C 3.31Å; K385-L388 WeakPolarHBondContact O-CA 3.35Å; K385-L388 WeakPolarHBondContact O-CB 3.46Å; K385-L388 PolarHBondContact O-N 2.94Å; K385-F389 PolarHBondContact O-N 2.91Å
386K87.3Confident93.1Very high179 Ų17938.8 Ų38.878%0.77820%0.202SC*.G310 helixtrans32.4-107.8172.8-66.2-171.3175.9-174.10113.7D384 L388 F389D384-K386 PolarHBondContact O-N 2.78Å; K386-L388 PolarHBondContact O-N 3.42Å; K386-F389 WeakPolarHBondContact O-CB 3.43Å; K386-F389 PolarHBondContact O-N 3.22Å
387A86.6Confident93.1Very high81 Ų8138.8 Ų38.867%0.66920%0.202SC*.G310 helixtrans-61.2-28.9-17800000113.8K42 K385 F389K42-A387 WeakPolarHBondContact CE-O 3.33Å; K42-A387 PolarHBondContact NZ-O 3.47Å; K385-A387 PolarHBondContact O-N 3.4Å; A387-F389 VanDerWaalsContact C-N 3.31Å
388L89.9Confident93.1Very high66 Ų6641.4 Ų41.435%0.34622%0.216SC..G310 helixtrans-88.25178.9-48.6-178.3000113.2L46 F382 K385 K386 F390L46-L388 HydrophobicContact CD1-CB 4.47Å; L46-L388 HydrophobicContact CD2-CD1 3.94Å; L46-L388 HydrophobicContact CD2-CD2 3.8Å; L46-L388 HydrophobicContact CD2-CG 4.31Å; L46-L388 HydrophobicContact CG-CD2 4.43Å; F382-L388 WeakPolarHBondContact CB-O 3.28Å; F382-L388 HydrophobicContact CD1-CB 4.1Å; K385-L388 HydrophobicContact CB-CB 3.92Å; K385-L388 CarbonylContact O-C 3.31Å; K385-L388 WeakPolarHBondContact O-CA 3.35Å; K385-L388 WeakPolarHBondContact O-CB 3.46Å; K385-L388 PolarHBondContact O-N 2.94Å; K386-L388 PolarHBondContact O-N 3.42Å; L388-F390 WeakPolarHBondContact O-CD2 3.26Å; L388-F390 WeakPolarHBondContact O-CE2 3.48Å
389F92.7Very high93.3Very high60 Ų6041.5 Ų41.526%0.26322%0.216SC..  trans-60.4142.1178.9174.7-104.4000113.3K42 F382 F383 K385 K386 A387 P391 L394K42-F389 PolarHBondContact NZ-O 2.93Å; F382-F389 WeakPolarHBondContact O-CA 3.47Å; F383-F389 VanDerWaalsContact O-CD2 3.29Å; F383-F389 WeakPolarHBondContact O-CD2 3.45Å; F383-F389 WeakPolarHBondContact O-CE2 3.31Å; K385-F389 PolarHBondContact O-N 2.91Å; K386-F389 WeakPolarHBondContact O-CB 3.43Å; K386-F389 PolarHBondContact O-N 3.22Å; A387-F389 VanDerWaalsContact C-N 3.31Å; F389-P391 HydrophobicContact CE1-CG 4.1Å; F389-L394 HydrophobicContact CE2-CB 3.82Å; F389-L394 HydrophobicContact CZ-CB 3.78Å; F389-L394 HydrophobicContact CZ-CD2 4.12Å
390F93.8Very high93.4Very high7 Ų741.8 Ų41.83%0.03122%0.217CC..  trans-124.3130.9169.6-70.5-92.2000110.6H39 K42 L43 L46 F376 F382 L388 C392 S393H39-F390 HydrophobicContact CB-CD1 4.34Å; H39-F390 HydrophobicContact CB-CE1 4.04Å; K42-F390 HydrophobicContact CB-CE1 4.42Å; K42-F390 HydrophobicContact CB-CZ 4.21Å; K42-F390 HydrophobicContact CD-CE1 4.12Å; K42-F390 HydrophobicContact CD-CE2 3.99Å; K42-F390 HydrophobicContact CD-CZ 3.72Å; K42-F390 HydrophobicContact CG-CE1 4.45Å; K42-F390 HydrophobicContact CG-CE2 4.42Å; K42-F390 HydrophobicContact CG-CZ 3.87Å; L43-F390 HydrophobicContact CB-CE1 4.29Å; L43-F390 HydrophobicContact CB-CZ 4.24Å; L43-F390 HydrophobicContact CD1-CZ 4.29Å; L46-F390 HydrophobicContact CD1-CE2 3.55Å; L46-F390 HydrophobicContact CD1-CZ 3.89Å; F376-F390 HydrophobicContact CE1-CB 4.44Å; F376-F390 AromaticContact CE1-CD1 3.79Å; F376-F390 HydrophobicContact CE1-CD1 3.79Å; F376-F390 HydrophobicContact CE1-CD2 4.31Å; F376-F390 HydrophobicContact CE1-CE1 4.04Å; F376-F390 AromaticContact CE1-CG 3.93Å; F376-F390 HydrophobicContact CE1-CG 3.93Å; F376-F390 HydrophobicContact CE1-CZ 4.4Å; F376-F390 HydrophobicContact CZ-CD1 4.18Å; F376-F390 AromaticContact CZ-CD2 3.9Å; F376-F390 HydrophobicContact CZ-CD2 3.9Å; F376-F390 HydrophobicContact CZ-CE1 4.25Å; F376-F390 AromaticContact CZ-CE2 3.97Å; F376-F390 HydrophobicContact CZ-CE2 3.97Å; F376-F390 AromaticContact CZ-CG 4Å; F376-F390 HydrophobicContact CZ-CG 4Å; F376-F390 HydrophobicContact CZ-CZ 4.15Å; F382-F390 HydrophobicContact CB-CD2 3.77Å; F382-F390 HydrophobicContact CB-CE2 4.48Å; F382-F390 HydrophobicContact CD1-CD2 4.42Å; F382-F390 HydrophobicContact CD1-CE2 4.33Å; F382-F390 HydrophobicContact CD2-CD2 4.2Å; F382-F390 HydrophobicContact CD2-CE2 4.4Å; F382-F390 AromaticContact CG-CD2 3.87Å; F382-F390 HydrophobicContact CG-CD2 3.87Å; F382-F390 HydrophobicContact CG-CE2 4.14Å; L388-F390 WeakPolarHBondContact O-CD2 3.26Å; L388-F390 WeakPolarHBondContact O-CE2 3.48Å; F390-C392 VanDerWaalsContact C-N 3.25Å; F390-C392 PolarHBondContact O-N 3Å; F390-S393 WeakPolarHBondContact O-CB 3.49Å; F390-S393 PolarHBondContact O-N 3.41Å; F390-S393 PolarHBondContact O-OG 3.49Å
391P93.6Very high93.5Very high34 Ų3442.3 Ų42.322%0.22122%0.22CC..Hα-helixtrans-55.2-35.9179.4-30.338.3000114.6F389 S393 L394 K395F389-P391 HydrophobicContact CE1-CG 4.1Å; P391-S393 VanDerWaalsContact C-N 3.25Å; P391-S393 PolarHBondContact O-N 2.91Å; P391-L394 PolarHBondContact O-N 2.89Å; P391-K395 PolarHBondContact O-N 3.43Å; P391-K395 VanDerWaalsContact O-N 3.15Å
392C94.3Very high93.8Very high3 Ų343.9 Ų43.92%0.0224%0.236CC..Hα-helixtrans-58.3-36.2176.460.10000112.8L372 D374 F390 L394 K395 I396L372-C392 HydrophobicContact CD2-CB 3.84Å; L372-C392 WeakPolarHBondContact CD2-O 3.18Å; D374-C392 PolarHBondContact O-SG 3.24Å; F390-C392 VanDerWaalsContact C-N 3.25Å; F390-C392 PolarHBondContact O-N 3Å; C392-L394 PolarHBondContact O-N 2.9Å; C392-K395 WeakPolarHBondContact O-CB 3.47Å; C392-K395 PolarHBondContact O-N 3.47Å; C392-I396 WeakPolarHBondContact O-CG1 3.11Å; C392-I396 PolarHBondContact O-N 3.24Å
393S95.6Very high94Very high0 Ų043.4 Ų43.40%023%0.233CC..Hα-helixtrans-63-40.8177.671.20000112.7S379 F383 F390 P391 I396 V397S379-S393 WeakPolarHBondContact O-CB 3.37Å; F383-S393 WeakPolarHBondContact CA-OG 3.34Å; F383-S393 PolarHBondContact N-OG 3.45Å; F390-S393 WeakPolarHBondContact O-CB 3.49Å; F390-S393 PolarHBondContact O-N 3.41Å; F390-S393 PolarHBondContact O-OG 3.49Å; P391-S393 VanDerWaalsContact C-N 3.25Å; P391-S393 PolarHBondContact O-N 2.91Å; S393-I396 PolarHBondContact O-N 3.49Å; S393-V397 WeakPolarHBondContact O-CG2 3.25Å; S393-V397 PolarHBondContact O-N 2.95Å; S393-V397 VanDerWaalsContact O-N 3.13Å
394L95.4Very high94.3Very high63 Ų6342.6 Ų42.633%0.3323%0.23SC..Hα-helixtrans-69-38.4175.7-176.261.7000111.8F389 P391 C392 I396 V397 N398F389-L394 HydrophobicContact CE2-CB 3.82Å; F389-L394 HydrophobicContact CZ-CB 3.78Å; F389-L394 HydrophobicContact CZ-CD2 4.12Å; P391-L394 PolarHBondContact O-N 2.89Å; C392-L394 PolarHBondContact O-N 2.9Å; L394-I396 VanDerWaalsContact C-N 3.29Å; L394-I396 PolarHBondContact O-N 3.45Å; L394-V397 PolarHBondContact O-N 3.41Å; L394-N398 WeakPolarHBondContact O-CB 3.46Å; L394-N398 VanDerWaalsContact O-CG 3.28Å; L394-N398 PolarHBondContact O-N 3.05Å
395K97.1Very high94.7Very high75 Ų7545.2 Ų45.233%0.32624%0.24SC..Hα-helixtrans-57.9-43.7174.3-66.6174.5-170.8161.90111.1Y370 L372 D374 P391 C392 A399Y370-K395 HydrophobicContact CE1-CB 4.39Å; L372-K395 HydrophobicContact CD2-CB 3.87Å; L372-K395 HydrophobicContact CD2-CD 4.23Å; D374-K395 VanDerWaalsContact CG-NZ 3.33Å; D374-K395 IonicContact OD1-NZ 3.74Å; D374-K395 PolarHBondContact OD1-NZ 2.93Å; D374-K395 VanDerWaalsContact OD1-NZ 3.1Å; D374-K395 IonicContact OD2-NZ 3.32Å; D374-K395 PolarHBondContact OD2-NZ 2.89Å; P391-K395 PolarHBondContact O-N 3.43Å; P391-K395 VanDerWaalsContact O-N 3.15Å; C392-K395 WeakPolarHBondContact O-CB 3.47Å; C392-K395 PolarHBondContact O-N 3.47Å; K395-A399 WeakPolarHBondContact O-CB 3.03Å; K395-A399 PolarHBondContact O-N 3.19Å
396I97.6Very high95Very high0 Ų045.3 Ų45.30%026%0.26CS..Hα-helixtrans-58.8-54.6176.2-66167.4000110.2I221 Y222 V342 L372 S379 I380 C392 S393 L394 N398 A399 I400I221-I396 HydrophobicContact CG2-CG2 3.95Å; Y222-I396 HydrophobicContact CE1-CD1 4.15Å; V342-I396 HydrophobicContact CG1-CG1 4.03Å; V342-I396 HydrophobicContact CG1-CG2 4.27Å; L372-I396 HydrophobicContact CD1-CD1 4.14Å; L372-I396 HydrophobicContact CD1-CG1 3.48Å; L372-I396 VanDerWaalsContact CD1-CG1 3.48Å; L372-I396 HydrophobicContact CD2-CD1 4.27Å; L372-I396 HydrophobicContact CD2-CG1 3.68Å; L372-I396 HydrophobicContact CG-CG1 4.24Å; S379-I396 WeakPolarHBondContact OG-CD1 3.33Å; I380-I396 HydrophobicContact CB-CG2 4.47Å; I380-I396 HydrophobicContact CD1-CG2 3.63Å; I380-I396 HydrophobicContact CG1-CG2 3.95Å; C392-I396 WeakPolarHBondContact O-CG1 3.11Å; C392-I396 PolarHBondContact O-N 3.24Å; S393-I396 PolarHBondContact O-N 3.49Å; L394-I396 VanDerWaalsContact C-N 3.29Å; L394-I396 PolarHBondContact O-N 3.45Å; I396-N398 PolarHBondContact O-N 2.89Å; I396-A399 PolarHBondContact O-N 3.41Å; I396-I400 HydrophobicContact CG2-CD1 3.74Å; I396-I400 WeakPolarHBondContact O-CG1 3.28Å; I396-I400 PolarHBondContact O-N 3.42Å
397V97.6Very high95Very high0 Ų038.2 Ų38.20%023%0.23CC..Hα-helixtrans-62.6-43.4-176-179.70000111.4L134 Y137 L138 I380 F383 S393 L394 A399 I400 V401L134-V397 HydrophobicContact CD1-CG1 4.26Å; L134-V397 HydrophobicContact CD1-CG2 3.6Å; Y137-V397 HydrophobicContact CD1-CG1 3.29Å; Y137-V397 HydrophobicContact CE1-CG1 3.3Å; Y137-V397 HydrophobicContact CG-CG1 4.41Å; L138-V397 HydrophobicContact CD2-CG1 4.13Å; I380-V397 HydrophobicContact CD1-CG2 4.16Å; I380-V397 HydrophobicContact CG1-CG2 3.75Å; F383-V397 HydrophobicContact CB-CG2 3.97Å; F383-V397 HydrophobicContact CD1-CG2 4.37Å; F383-V397 HydrophobicContact CD2-CG1 4.4Å; F383-V397 HydrophobicContact CD2-CG2 4.06Å; F383-V397 HydrophobicContact CG-CG2 3.84Å; S393-V397 WeakPolarHBondContact O-CG2 3.25Å; S393-V397 PolarHBondContact O-N 2.95Å; S393-V397 VanDerWaalsContact O-N 3.13Å; L394-V397 PolarHBondContact O-N 3.41Å; V397-A399 VanDerWaalsContact C-N 3.33Å; V397-A399 PolarHBondContact O-N 2.91Å; V397-I400 PolarHBondContact O-N 3.34Å; V397-V401 HydrophobicContact CG1-CG2 4.48Å; V397-V401 WeakPolarHBondContact O-CG2 3.12Å; V397-V401 PolarHBondContact O-N 2.82Å
398N97.8Very high95.4Very high72 Ų7236.1 Ų36.139%0.38521%0.208SC..Hα-helixtrans-62.9-39.2177.4-74.3-9.5000112.4Y137 L394 I396 V401 S402Y137-N398 PolarHBondContact OH-OD1 3.13Å; L394-N398 WeakPolarHBondContact O-CB 3.46Å; L394-N398 VanDerWaalsContact O-CG 3.28Å; L394-N398 PolarHBondContact O-N 3.05Å; I396-N398 PolarHBondContact O-N 2.89Å; N398-V401 PolarHBondContact O-N 3.42Å; N398-S402 WeakPolarHBondContact O-CB 3.49Å; N398-S402 PolarHBondContact O-N 3.4Å
399A98.1Very high95.7Very high16 Ų1634.5 Ų34.513%0.13220%0.201CC..Hα-helixtrans-65.6-40.7177.700000111.3F340 Y370 K395 I396 V397 S402 Y403F340-A399 HydrophobicContact CE1-CB 4.38Å; F340-A399 HydrophobicContact CZ-CB 3.78Å; Y370-A399 HydrophobicContact CD1-CB 3.98Å; Y370-A399 HydrophobicContact CD2-CB 4.44Å; Y370-A399 HydrophobicContact CE1-CB 4.12Å; Y370-A399 HydrophobicContact CG-CB 4.15Å; K395-A399 WeakPolarHBondContact O-CB 3.03Å; K395-A399 PolarHBondContact O-N 3.19Å; I396-A399 PolarHBondContact O-N 3.41Å; V397-A399 VanDerWaalsContact C-N 3.33Å; V397-A399 PolarHBondContact O-N 2.91Å; A399-S402 PolarHBondContact O-N 3.29Å; A399-Y403 WeakPolarHBondContact O-CB 3.5Å; A399-Y403 PolarHBondContact O-N 3.46Å
400I98.3Very high95.9Very high5 Ų533.1 Ų33.13%0.02620%0.197CC..Hα-helixtrans-62.7-47.2174.1-64.4160.2000111L138 V219 I221 F340 I380 I396 V397 S402 Y403 A404L138-I400 HydrophobicContact CD2-CB 4.44Å; L138-I400 HydrophobicContact CD2-CG2 3.89Å; V219-I400 HydrophobicContact CG1-CG1 4.06Å; V219-I400 HydrophobicContact CG1-CG2 4.14Å; I221-I400 HydrophobicContact CD1-CD1 3.47Å; I221-I400 VanDerWaalsContact CD1-CD1 3.47Å; I221-I400 HydrophobicContact CG1-CD1 3.91Å; F340-I400 HydrophobicContact CE1-CG1 4.16Å; I380-I400 HydrophobicContact CD1-CD1 3.96Å; I396-I400 HydrophobicContact CG2-CD1 3.74Å; I396-I400 WeakPolarHBondContact O-CG1 3.28Å; I396-I400 PolarHBondContact O-N 3.42Å; V397-I400 PolarHBondContact O-N 3.34Å; I400-S402 VanDerWaalsContact C-N 3.34Å; I400-S402 PolarHBondContact O-N 3.09Å; I400-Y403 PolarHBondContact O-N 2.89Å; I400-A404 WeakPolarHBondContact O-CB 3.2Å; I400-A404 PolarHBondContact O-N 2.87Å
401V98.4Very high96Very high11 Ų1134.6 Ų34.67%0.06721%0.207CC..Hα-helixtrans-60.2-45.2177.8168.30000110.9Y137 L138 E141 T142 V397 N398 A404 K405Y137-V401 HydrophobicContact CD1-CG2 4.46Å; Y137-V401 HydrophobicContact CE1-CG2 4.05Å; L138-V401 HydrophobicContact CD2-CG2 3.91Å; E141-V401 HydrophobicContact CB-CG1 3.8Å; E141-V401 HydrophobicContact CB-CG2 3.86Å; T142-V401 HydrophobicContact CG2-CB 4.34Å; T142-V401 HydrophobicContact CG2-CG1 4.23Å; T142-V401 HydrophobicContact CG2-CG2 4.15Å; V397-V401 HydrophobicContact CG1-CG2 4.48Å; V397-V401 WeakPolarHBondContact O-CG2 3.12Å; V397-V401 PolarHBondContact O-N 2.82Å; N398-V401 PolarHBondContact O-N 3.42Å; V401-A404 PolarHBondContact O-N 2.96Å; V401-K405 HydrophobicContact CG1-CD 4.13Å; V401-K405 WeakPolarHBondContact O-CB 3.31Å; V401-K405 WeakPolarHBondContact O-CG 3.25Å; V401-K405 PolarHBondContact O-N 2.81Å
402S98.2Very high96.1Very high85 Ų8534.6 Ų34.659%0.59421%0.206SC*.Hα-helixtrans-61.4-45.7178.6-178.50000111.4N398 A399 I400 K405 G406N398-S402 WeakPolarHBondContact O-CB 3.49Å; N398-S402 PolarHBondContact O-N 3.4Å; A399-S402 PolarHBondContact O-N 3.29Å; I400-S402 VanDerWaalsContact C-N 3.34Å; I400-S402 PolarHBondContact O-N 3.09Å; S402-K405 PolarHBondContact O-N 3.34Å; S402-G406 PolarHBondContact O-N 3.13Å; S402-G406 VanDerWaalsContact O-N 3.11Å
403Y98.1Very high96.3Very high21 Ų2136.7 Ų36.78%0.08222%0.218CC..Hα-helixtrans-61.7-50.8176.1178.9-101.7000112A217 V219 E338 F340 A399 I400 K405 G406 I407A217-Y403 HydrophobicContact CB-CE1 3.92Å; V219-Y403 HydrophobicContact CG2-CD1 3.9Å; V219-Y403 HydrophobicContact CG2-CE1 3.93Å; E338-Y403 WeakPolarHBondContact CG-OH 3.42Å; E338-Y403 PolarHBondContact O-OH 2.94Å; F340-Y403 HydrophobicContact CB-CD1 3.54Å; F340-Y403 HydrophobicContact CB-CD2 3.91Å; F340-Y403 HydrophobicContact CB-CE1 3.46Å; F340-Y403 VanDerWaalsContact CB-CE1 3.46Å; F340-Y403 HydrophobicContact CB-CE2 3.84Å; F340-Y403 HydrophobicContact CB-CG 3.75Å; F340-Y403 HydrophobicContact CD2-CD1 4.26Å; F340-Y403 AromaticContact CD2-CD2 3.5Å; F340-Y403 HydrophobicContact CD2-CD2 3.5Å; F340-Y403 HydrophobicContact CD2-CE2 4.1Å; F340-Y403 AromaticContact CD2-CG 3.57Å; F340-Y403 HydrophobicContact CD2-CG 3.57Å; F340-Y403 HydrophobicContact CE2-CD2 4.37Å; F340-Y403 HydrophobicContact CE2-CG 4.35Å; F340-Y403 AromaticContact CG-CD1 3.94Å; F340-Y403 HydrophobicContact CG-CD1 3.94Å; F340-Y403 AromaticContact CG-CD2 4Å; F340-Y403 HydrophobicContact CG-CD2 4Å; F340-Y403 HydrophobicContact CG-CE1 4.35Å; F340-Y403 HydrophobicContact CG-CE2 4.4Å; F340-Y403 AromaticContact CG-CG 3.73Å; F340-Y403 HydrophobicContact CG-CG 3.73Å; A399-Y403 WeakPolarHBondContact O-CB 3.5Å; A399-Y403 PolarHBondContact O-N 3.46Å; I400-Y403 PolarHBondContact O-N 2.89Å; Y403-K405 PolarHBondContact O-N 3.43Å; Y403-G406 PolarHBondContact O-N 3.43Å; Y403-I407 HydrophobicContact CD1-CD1 4.4Å; Y403-I407 HydrophobicContact CE1-CD1 3.98Å; Y403-I407 PolarHBondContact O-N 3.4Å
404A96.3Very high96.3Very high3 Ų339.4 Ų39.43%0.02523%0.234CC..Hα-helixtrans-61.9-29.9-179.700000113.2R113 T142 I400 V401 I407R113-A404 WeakPolarHBondContact CD-O 3.33Å; R113-A404 PolarHBondContact NE-O 3.39Å; T142-A404 HydrophobicContact CG2-CB 3.78Å; I400-A404 WeakPolarHBondContact O-CB 3.2Å; I400-A404 PolarHBondContact O-N 2.87Å; V401-A404 PolarHBondContact O-N 2.96Å; A404-I407 WeakPolarHBondContact O-CG1 3.34Å
405K95.8Very high96.4Very high101 Ų10137.5 Ų37.544%0.43923%0.227SC..Hα-helixtrans-74.5-31.6172.7-76.6-179.2178.81790113.3R113 E141 V401 S402 Y403 I407R113-K405 PolarHBondContact NH2-O 3.17Å; E141-K405 WeakPolarHBondContact O-CE 3.43Å; E141-K405 PolarHBondContact O-NZ 3.06Å; V401-K405 HydrophobicContact CG1-CD 4.13Å; V401-K405 WeakPolarHBondContact O-CB 3.31Å; V401-K405 WeakPolarHBondContact O-CG 3.25Å; V401-K405 PolarHBondContact O-N 2.81Å; S402-K405 PolarHBondContact O-N 3.34Å; Y403-K405 PolarHBondContact O-N 3.43Å; K405-I407 PolarHBondContact O-N 3.46Å
406G92.6Very high96.3Very high70 Ų7034.4 Ų34.472%0.72222%0.218SC*.Hα-helixtrans-73.9-14.9-179.500000114S402 Y403S402-G406 PolarHBondContact O-N 3.13Å; S402-G406 VanDerWaalsContact O-N 3.11Å; Y403-G406 PolarHBondContact O-N 3.43Å
407I87.4Confident96.2Very high29 Ų2937.5 Ų37.515%0.14924%0.238CC..  trans-106.80172.564.7178.4000111.6R113 V188 A217 Y403 A404 K405R113-I407 PolarHBondContact NE-OXT 3.34Å; R113-I407 PolarHBondContact NH2-OXT 3.07Å; V188-I407 HydrophobicContact CG2-CD1 3.42Å; V188-I407 VanDerWaalsContact CG2-CD1 3.42Å; V188-I407 HydrophobicContact CG2-CG1 4.39Å; A217-I407 HydrophobicContact CB-CD1 3.52Å; Y403-I407 HydrophobicContact CD1-CD1 4.4Å; Y403-I407 HydrophobicContact CE1-CD1 3.98Å; Y403-I407 PolarHBondContact O-N 3.4Å; A404-I407 WeakPolarHBondContact O-CG1 3.34Å; K405-I407 PolarHBondContact O-N 3.46Å

Retrieved 407 of 407 residues in 97.4 ms (Link to these results)

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