A0A087X9Z0_POEFO Loading...

Tubulin tyrosine ligase-like family, member 12

AlphaFold DB , UniProt , Accession A0A087X9Z0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 623 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
1M37.9Very low40Very low252 Ų252142.5 Ų142.5100%1.24181%0.805SS**  089.80-76.5-175.6-174.100107.6
2S36.5Very low41.9Very low104 Ų104138.4 Ų138.473%0.72779%0.789SS**  trans177.798.9172.4154.90000101.6
3T33.5Very low44.2Very low142 Ų142135.2 Ų135.287%0.87177%0.768SS**  trans-109.3109169.341.90000104.7
4D30.6Very low46.7Very low134 Ų134136.2 Ų136.272%0.71776%0.763SS**  trans-53.1149.6167.6-70.5-46.7000110.5E6D4-E6 PolarHBondContact O-N 2.89Å
5P43.1Very low49.3Very low125 Ų125128.7 Ų128.781%0.81273%0.729SS**  trans-75.2114.2167.127.8-21.5000108.1G7P5-G7 PolarHBondContact O-N 3.19Å; P5-G7 VanDerWaalsContact O-N 3.16Å
6E37.8Very low52Low191 Ų191123.6 Ų123.689%0.89370%0.696SS**  trans-56.4116.2169.7-73.5178.8155.200109.3D4 L8D4-E6 PolarHBondContact O-N 2.89Å; E6-L8 PolarHBondContact O-N 3.14Å
7G36.1Very low54.4Low62 Ų62118.2 Ų118.264%0.63967%0.674SS**  trans-66.5120.5164.200000109P5 N9P5-G7 PolarHBondContact O-N 3.19Å; P5-G7 VanDerWaalsContact O-N 3.16Å; G7-N9 PolarHBondContact O-N 2.66Å
8L37.8Very low56.5Low163 Ų163114.3 Ų114.385%0.85366%0.659SS**  trans-59.4106.1159.5-79.6148.4000107.2E6 D10E6-L8 PolarHBondContact O-N 3.14Å; L8-D10 VanDerWaalsContact C-N 3.29Å; L8-D10 PolarHBondContact O-N 3.15Å
9N38.6Very low58.4Low161 Ų161108.4 Ų108.486%0.86163%0.625SS**  trans-68.691.4163-81.2-26.6000107.2G7 D11G7-N9 PolarHBondContact O-N 2.66Å; N9-D11 PolarHBondContact O-N 3.37Å; N9-D11 VanDerWaalsContact O-N 3.14Å
10D50Low60.2Low146 Ų146105.1 Ų105.178%0.78161%0.607SS**  trans-68.7101.8163.1-86.9-23.6000107.6L8 P12L8-D10 VanDerWaalsContact C-N 3.29Å; L8-D10 PolarHBondContact O-N 3.15Å; D10-P12 VanDerWaalsContact O-CD 3.26Å; D10-P12 WeakPolarHBondContact O-CD 3.33Å
11D58.3Low61.8Low87 Ų87106.1 Ų106.147%0.46561%0.614SS.*  trans-65.4116.3166.7-174.4-13.4000108N9 D13 E14 G15N9-D11 PolarHBondContact O-N 3.37Å; N9-D11 VanDerWaalsContact O-N 3.14Å; D11-D13 PolarHBondContact O-N 3.38Å; D11-D13 VanDerWaalsContact O-N 3.11Å; D11-D13 PolarHBondContact OD1-N 3.24Å; D11-D13 VanDerWaalsContact OD1-N 3.1Å; D11-E14 HydrophobicContact CB-CB 3.93Å; D11-E14 WeakPolarHBondContact O-CB 3Å; D11-E14 PolarHBondContact O-N 3.25Å; D11-G15 PolarHBondContact O-N 3.07Å; D11-G15 VanDerWaalsContact O-N 3.12Å
12P62.6Low64.3Low94 Ų9498.6 Ų98.661%0.6158%0.578SS**Hα-helixtrans-58.1-27.5-178.2-22.232.5000113.2D10 F16D10-P12 VanDerWaalsContact O-CD 3.26Å; D10-P12 WeakPolarHBondContact O-CD 3.33Å; P12-F16 WeakPolarHBondContact O-CB 3.4Å; P12-F16 PolarHBondContact O-N 3.35Å; P12-F16 VanDerWaalsContact O-N 3.16Å
13D72.1Confident66.9Low97 Ų9794.2 Ų94.252%0.51955%0.547SS..Hα-helixtrans-79.6-26.8178-76.5-24.1000111.9D11 G17 K38D11-D13 PolarHBondContact O-N 3.38Å; D11-D13 VanDerWaalsContact O-N 3.11Å; D11-D13 PolarHBondContact OD1-N 3.24Å; D11-D13 VanDerWaalsContact OD1-N 3.1Å; D13-G17 PolarHBondContact O-N 3.31Å; D13-G17 VanDerWaalsContact O-N 3.07Å; D13-K38 IonicContact OD1-NZ 3.26Å; D13-K38 PolarHBondContact OD1-NZ 3.46Å
14E78.4Confident69.7Low149 Ų14987.7 Ų87.770%0.69651%0.508SS*.Hα-helixtrans-71.8-43.5172.1-169172.4-167.300111.1D11 F16 G17 A18D11-E14 HydrophobicContact CB-CB 3.93Å; D11-E14 WeakPolarHBondContact O-CB 3Å; D11-E14 PolarHBondContact O-N 3.25Å; E14-F16 PolarHBondContact O-N 3.01Å; E14-G17 PolarHBondContact O-N 2.97Å; E14-A18 PolarHBondContact O-N 2.87Å
15G86.6Confident72.6Confident24 Ų2483.7 Ų83.725%0.24750%0.498CS..Hα-helixtrans-62.2-41.6175.500000113.2D11 A18 F19 Y41D11-G15 PolarHBondContact O-N 3.07Å; D11-G15 VanDerWaalsContact O-N 3.12Å; G15-A18 PolarHBondContact O-N 2.94Å; G15-F19 PolarHBondContact O-N 2.79Å; G15-Y41 VanDerWaalsContact C-CZ 3.48Å; G15-Y41 VanDerWaalsContact C-OH 3.24Å; G15-Y41 WeakPolarHBondContact CA-OH 3.37Å
16F92.8Very high74.8Confident46 Ų4679.5 Ų79.520%0.20248%0.478CS..Hα-helixtrans-65.4-40.1173.7177.5-116.4000112.1P12 E14 A18 F19 V20 W37 K38 Y41P12-F16 WeakPolarHBondContact O-CB 3.4Å; P12-F16 PolarHBondContact O-N 3.35Å; P12-F16 VanDerWaalsContact O-N 3.16Å; E14-F16 PolarHBondContact O-N 3.01Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 2.97Å; F16-F19 HydrophobicContact CD2-CD1 4.26Å; F16-F19 HydrophobicContact CE2-CD1 4.22Å; F16-F19 WeakPolarHBondContact O-CB 3.42Å; F16-F19 PolarHBondContact O-N 3.01Å; F16-V20 HydrophobicContact CD1-CG2 4.43Å; F16-V20 HydrophobicContact CD2-CG2 4.19Å; F16-V20 HydrophobicContact CE1-CG2 3.95Å; F16-V20 HydrophobicContact CE2-CG2 3.67Å; F16-V20 HydrophobicContact CZ-CG2 3.54Å; F16-V20 WeakPolarHBondContact O-CG2 3.38Å; F16-V20 PolarHBondContact O-N 2.95Å; F16-W37 HydrophobicContact CE2-CB 4.16Å; F16-W37 HydrophobicContact CZ-CB 4.22Å; F16-K38 HydrophobicContact CD2-CG 4.46Å; F16-K38 HydrophobicContact CE1-CB 4.47Å; F16-K38 HydrophobicContact CE2-CB 4Å; F16-K38 HydrophobicContact CE2-CG 4.43Å; F16-K38 HydrophobicContact CZ-CB 3.97Å; F16-Y41 HydrophobicContact CB-CD1 3.89Å; F16-Y41 HydrophobicContact CB-CE1 3.95Å; F16-Y41 AromaticContact CD2-CD1 3.92Å; F16-Y41 HydrophobicContact CD2-CD1 3.92Å; F16-Y41 AromaticContact CD2-CG 3.95Å; F16-Y41 HydrophobicContact CD2-CG 3.95Å; F16-Y41 HydrophobicContact CG-CD1 4.37Å
17G92.8Very high77.5Confident32 Ų3270.5 Ų70.533%0.3344%0.435SS..Hα-helixtrans-56.8-47175.200000112.3D13 E14 F19 V20 V21D13-G17 PolarHBondContact O-N 3.31Å; D13-G17 VanDerWaalsContact O-N 3.07Å; E14-G17 PolarHBondContact O-N 2.97Å; G17-F19 PolarHBondContact O-N 3.32Å; G17-V20 PolarHBondContact O-N 2.91Å; G17-V21 WeakPolarHBondContact O-CG2 3.5Å; G17-V21 PolarHBondContact O-N 2.6Å; G17-V21 VanDerWaalsContact O-N 3.08Å
18A90.9Very high80.3Confident49 Ų4974.4 Ų74.441%0.40544%0.437SS..Hα-helixtrans-63-40.5176.100000112.6E14 G15 F16 V20 V21 L22E14-A18 PolarHBondContact O-N 2.87Å; G15-A18 PolarHBondContact O-N 2.94Å; F16-A18 VanDerWaalsContact C-N 3.35Å; F16-A18 PolarHBondContact O-N 2.97Å; A18-V20 PolarHBondContact O-N 3.2Å; A18-V21 PolarHBondContact O-N 2.87Å; A18-L22 WeakPolarHBondContact O-CB 3.27Å; A18-L22 WeakPolarHBondContact O-CG 3.34Å; A18-L22 PolarHBondContact O-N 3.36Å; A18-L22 VanDerWaalsContact O-N 3.09Å
19F93.3Very high82.8Confident2 Ų271.8 Ų71.81%0.00943%0.433CS..Hα-helixtrans-57.6-47.6173.9172.3-96.3000111.7G15 F16 G17 V21 L22 Q23 L27 L40 Y41 F194 Y196G15-F19 PolarHBondContact O-N 2.79Å; F16-F19 HydrophobicContact CD2-CD1 4.26Å; F16-F19 HydrophobicContact CE2-CD1 4.22Å; F16-F19 WeakPolarHBondContact O-CB 3.42Å; F16-F19 PolarHBondContact O-N 3.01Å; G17-F19 PolarHBondContact O-N 3.32Å; F19-V21 PolarHBondContact O-N 2.96Å; F19-L22 PolarHBondContact O-N 3.41Å; F19-Q23 HydrophobicContact CD2-CB 4.22Å; F19-Q23 HydrophobicContact CD2-CG 3.9Å; F19-Q23 HydrophobicContact CE1-CB 4.5Å; F19-Q23 HydrophobicContact CE2-CB 3.98Å; F19-Q23 HydrophobicContact CE2-CG 3.83Å; F19-Q23 HydrophobicContact CZ-CB 4.13Å; F19-Q23 HydrophobicContact CZ-CG 4.47Å; F19-Q23 VanDerWaalsContact O-CB 3.3Å; F19-Q23 WeakPolarHBondContact O-CB 3.47Å; F19-Q23 PolarHBondContact O-N 3.37Å; F19-L27 HydrophobicContact CE1-CD1 3.75Å; F19-L27 HydrophobicContact CZ-CD1 3.87Å; F19-L40 HydrophobicContact CZ-CD2 4.17Å; F19-L40 HydrophobicContact CZ-CG 4.35Å; F19-Y41 HydrophobicContact CB-CD2 3.55Å; F19-Y41 HydrophobicContact CB-CE2 3.83Å; F19-Y41 HydrophobicContact CB-CG 4.3Å; F19-Y41 HydrophobicContact CD1-CD2 4.19Å; F19-Y41 HydrophobicContact CD1-CG 4.39Å; F19-Y41 AromaticContact CD2-CD2 3.74Å; F19-Y41 HydrophobicContact CD2-CD2 3.74Å; F19-Y41 HydrophobicContact CD2-CE2 4.48Å; F19-Y41 HydrophobicContact CE2-CD2 4.46Å; F19-Y41 AromaticContact CG-CD2 3.57Å; F19-Y41 HydrophobicContact CG-CD2 3.57Å; F19-Y41 HydrophobicContact CG-CE2 4.31Å; F19-Y41 HydrophobicContact CG-CG 4.2Å; F19-F194 AromaticContact CE2-CZ 3.88Å; F19-F194 HydrophobicContact CE2-CZ 3.88Å; F19-F194 HydrophobicContact CZ-CZ 4.06Å; F19-Y196 HydrophobicContact CD2-CE2 4.1Å; F19-Y196 HydrophobicContact CE2-CD2 4.33Å; F19-Y196 HydrophobicContact CE2-CE2 4.3Å
20V94.3Very high85.3Confident42 Ų4266.2 Ų66.226%0.25541%0.406SS..Hα-helixtrans-63.8-41.2179.91740000111.7F16 G17 A18 L22 G24 W37F16-V20 HydrophobicContact CD1-CG2 4.43Å; F16-V20 HydrophobicContact CD2-CG2 4.19Å; F16-V20 HydrophobicContact CE1-CG2 3.95Å; F16-V20 HydrophobicContact CE2-CG2 3.67Å; F16-V20 HydrophobicContact CZ-CG2 3.54Å; F16-V20 WeakPolarHBondContact O-CG2 3.38Å; F16-V20 PolarHBondContact O-N 2.95Å; G17-V20 PolarHBondContact O-N 2.91Å; A18-V20 PolarHBondContact O-N 3.2Å; V20-L22 VanDerWaalsContact C-N 3.29Å; V20-L22 PolarHBondContact O-N 2.81Å; V20-G24 VanDerWaalsContact O-CA 3.26Å; V20-G24 WeakPolarHBondContact O-CA 3.37Å; V20-G24 PolarHBondContact O-N 3.09Å; V20-W37 HydrophobicContact CG1-CE3 4.18Å; V20-W37 HydrophobicContact CG1-CZ3 3.9Å; V20-W37 HydrophobicContact CG2-CE3 4.12Å
21V93.3Very high87.4Confident126 Ų12661.2 Ų61.276%0.76439%0.389SS*.Hα-helixtrans-60.8-40.5177.2169.70000111.4G17 A18 F19G17-V21 WeakPolarHBondContact O-CG2 3.5Å; G17-V21 PolarHBondContact O-N 2.6Å; G17-V21 VanDerWaalsContact O-N 3.08Å; A18-V21 PolarHBondContact O-N 2.87Å; F19-V21 PolarHBondContact O-N 2.96Å
22L90.1Very high89.2Confident94 Ų9457.3 Ų57.349%0.49237%0.368SS..Hα-helixtrans-84.8-38.4-175-72.7168.7000113.2A18 F19 V20 M197A18-L22 WeakPolarHBondContact O-CB 3.27Å; A18-L22 WeakPolarHBondContact O-CG 3.34Å; A18-L22 PolarHBondContact O-N 3.36Å; A18-L22 VanDerWaalsContact O-N 3.09Å; F19-L22 PolarHBondContact O-N 3.41Å; V20-L22 VanDerWaalsContact C-N 3.29Å; V20-L22 PolarHBondContact O-N 2.81Å; L22-M197 HydrophobicContact CB-CE 3.78Å; L22-M197 HydrophobicContact CD2-CE 4.39Å; L22-M197 WeakPolarHBondContact O-CE 3.46Å
23Q91.4Very high90.9Very high13 Ų1355 Ų556%0.06135%0.353CS..Hα-helixtrans-111.8-16.9-168.7-61.8-70.80.100113.8F19 G25 G26 L27 F194 F195 M197F19-Q23 HydrophobicContact CD2-CB 4.22Å; F19-Q23 HydrophobicContact CD2-CG 3.9Å; F19-Q23 HydrophobicContact CE1-CB 4.5Å; F19-Q23 HydrophobicContact CE2-CB 3.98Å; F19-Q23 HydrophobicContact CE2-CG 3.83Å; F19-Q23 HydrophobicContact CZ-CB 4.13Å; F19-Q23 HydrophobicContact CZ-CG 4.47Å; F19-Q23 VanDerWaalsContact O-CB 3.3Å; F19-Q23 WeakPolarHBondContact O-CB 3.47Å; F19-Q23 PolarHBondContact O-N 3.37Å; Q23-G25 VanDerWaalsContact C-N 3.32Å; Q23-G25 PolarHBondContact O-N 3.35Å; Q23-G26 PolarHBondContact O-N 2.8Å; Q23-L27 HydrophobicContact CB-CD1 4.47Å; Q23-L27 WeakPolarHBondContact O-CG 3.44Å; Q23-L27 PolarHBondContact O-N 2.81Å; Q23-F194 HydrophobicContact CB-CE2 4.19Å; Q23-F194 HydrophobicContact CB-CZ 4.2Å; Q23-F194 HydrophobicContact CG-CE2 4.38Å; Q23-F194 HydrophobicContact CG-CZ 4.01Å; Q23-F195 PolarHBondContact NE2-O 3.08Å; Q23-F195 VanDerWaalsContact NE2-O 3.1Å; Q23-M197 HydrophobicContact CG-CE 4.36Å
24G92.6Very high92Very high5 Ų557.2 Ų57.25%0.05236%0.361CS..Hα-helixtrans-58.9-39.7-17300000113.6V20 G26 L27 Q28V20-G24 VanDerWaalsContact O-CA 3.26Å; V20-G24 WeakPolarHBondContact O-CA 3.37Å; V20-G24 PolarHBondContact O-N 3.09Å; G24-G26 VanDerWaalsContact C-N 3.34Å; G24-G26 PolarHBondContact O-N 2.92Å; G24-L27 PolarHBondContact O-N 2.9Å; G24-Q28 WeakPolarHBondContact O-CB 3.48Å; G24-Q28 PolarHBondContact O-N 2.83Å
25G91.4Very high92.9Very high49 Ų4953.4 Ų53.451%0.50535%0.347SS..Hα-helixtrans-63-38.9175.900000113.1Q23 S29Q23-G25 VanDerWaalsContact C-N 3.32Å; Q23-G25 PolarHBondContact O-N 3.35Å; G25-S29 WeakPolarHBondContact O-CB 3.38Å; G25-S29 PolarHBondContact O-N 3.27Å; G25-S29 PolarHBondContact O-OG 3.03Å
26G89.6Confident93.5Very high38 Ų3852.2 Ų52.239%0.39234%0.335SS..Hα-helixtrans-67.6-48175.300000111.9Q23 G24 Q28 S29 S30Q23-G26 PolarHBondContact O-N 2.8Å; G24-G26 VanDerWaalsContact C-N 3.34Å; G24-G26 PolarHBondContact O-N 2.92Å; G26-Q28 VanDerWaalsContact C-N 3.33Å; G26-Q28 PolarHBondContact O-N 2.97Å; G26-S29 PolarHBondContact O-N 3.31Å; G26-S29 VanDerWaalsContact O-N 3.16Å; G26-S30 PolarHBondContact O-N 3.3Å; G26-S30 PolarHBondContact O-OG 2.94Å
27L94.3Very high93.7Very high1 Ų151 Ų511%0.00533%0.329CS..Hα-helixtrans-58.2-43.9177.5-68.9173.3000112.2F19 Q23 G24 S30 G31 V32 W37 L40 F194 L205F19-L27 HydrophobicContact CE1-CD1 3.75Å; F19-L27 HydrophobicContact CZ-CD1 3.87Å; Q23-L27 HydrophobicContact CB-CD1 4.47Å; Q23-L27 WeakPolarHBondContact O-CG 3.44Å; Q23-L27 PolarHBondContact O-N 2.81Å; G24-L27 PolarHBondContact O-N 2.9Å; L27-S30 PolarHBondContact O-N 2.89Å; L27-G31 PolarHBondContact O-N 2.78Å; L27-V32 HydrophobicContact CB-CB 4.22Å; L27-V32 HydrophobicContact CD2-CB 4.2Å; L27-V32 HydrophobicContact CD2-CG1 4.33Å; L27-V32 HydrophobicContact CD2-CG2 4.02Å; L27-V32 WeakPolarHBondContact O-CB 3.49Å; L27-V32 PolarHBondContact O-N 3.26Å; L27-W37 HydrophobicContact CB-CZ2 4.07Å; L27-W37 HydrophobicContact CD1-CD2 4.08Å; L27-W37 HydrophobicContact CD1-CG 3.98Å; L27-L40 HydrophobicContact CD1-CD2 4.18Å; L27-L40 HydrophobicContact CD2-CD2 3.55Å; L27-F194 HydrophobicContact CD2-CD2 3.7Å; L27-F194 HydrophobicContact CD2-CE2 3.58Å; L27-F194 HydrophobicContact CD2-CZ 4.49Å; L27-F194 HydrophobicContact CG-CE2 4.01Å; L27-L205 HydrophobicContact CD2-CD1 3.85Å
28Q94.4Very high93.9Very high145 Ų14555 Ų5568%0.67834%0.338SS*.Hα-helixtrans-65.4-41.4176.9-173.5175.4300112G24 G26 S30 G31 W37G24-Q28 WeakPolarHBondContact O-CB 3.48Å; G24-Q28 PolarHBondContact O-N 2.83Å; G26-Q28 VanDerWaalsContact C-N 3.33Å; G26-Q28 PolarHBondContact O-N 2.97Å; Q28-S30 VanDerWaalsContact C-N 3.3Å; Q28-S30 PolarHBondContact O-N 2.88Å; Q28-G31 PolarHBondContact O-N 2.77Å; Q28-W37 HydrophobicContact CB-CZ2 4.41Å
29S90.8Very high94.1Very high108 Ų10853.5 Ų53.576%0.75532%0.324SS*.Hα-helixtrans-65.2-34.2177.9-58.70000112.3G25 G26 G31G25-S29 WeakPolarHBondContact O-CB 3.38Å; G25-S29 PolarHBondContact O-N 3.27Å; G25-S29 PolarHBondContact O-OG 3.03Å; G26-S29 PolarHBondContact O-N 3.31Å; G26-S29 VanDerWaalsContact O-N 3.16Å; S29-G31 PolarHBondContact O-N 2.95Å
30S91Very high94.3Very high43 Ų4353.5 Ų53.530%0.30132%0.324SS..THydrogen-bonded Turntrans-79-2.3173.5-62.60000113.8G26 L27 Q28G26-S30 PolarHBondContact O-N 3.3Å; G26-S30 PolarHBondContact O-OG 2.94Å; L27-S30 PolarHBondContact O-N 2.89Å; Q28-S30 VanDerWaalsContact C-N 3.3Å; Q28-S30 PolarHBondContact O-N 2.88Å
31G94.4Very high94.4Very high41 Ų4153.7 Ų53.742%0.42332%0.321SS..THydrogen-bonded Turntrans77.217.7178.500000114.9L27 Q28 S29 P33L27-G31 PolarHBondContact O-N 2.78Å; Q28-G31 PolarHBondContact O-N 2.77Å; S29-G31 PolarHBondContact O-N 2.95Å; G31-P33 VanDerWaalsContact O-CD 3.24Å; G31-P33 WeakPolarHBondContact O-CD 3.42Å
32V97Very high94.5Very high6 Ų652.7 Ų52.74%0.03631%0.308CS..  trans-72.8118178.8-177.50000110L27 Q34 W37 I97 L205 W207L27-V32 HydrophobicContact CB-CB 4.22Å; L27-V32 HydrophobicContact CD2-CB 4.2Å; L27-V32 HydrophobicContact CD2-CG1 4.33Å; L27-V32 HydrophobicContact CD2-CG2 4.02Å; L27-V32 WeakPolarHBondContact O-CB 3.49Å; L27-V32 PolarHBondContact O-N 3.26Å; V32-Q34 PolarHBondContact O-N 2.79Å; V32-W37 PolarHBondContact O-NE1 3.26Å; V32-I97 HydrophobicContact CG1-CD1 3.67Å; V32-L205 HydrophobicContact CG2-CD1 4.06Å; V32-W207 HydrophobicContact CG2-CE3 4.26Å; V32-W207 HydrophobicContact CG2-CH2 3.64Å; V32-W207 HydrophobicContact CG2-CZ2 4.02Å; V32-W207 HydrophobicContact CG2-CZ3 3.78Å
33P96.8Very high94.8Very high45 Ų4548.7 Ų48.729%0.29229%0.286SS..  trans-57.9137.1178.8-28.336.9000113.5G31 V35 Y36 W37G31-P33 VanDerWaalsContact O-CD 3.24Å; G31-P33 WeakPolarHBondContact O-CD 3.42Å; P33-V35 HydrophobicContact CB-CG1 3.95Å; P33-V35 PolarHBondContact O-N 3.34Å; P33-V35 VanDerWaalsContact O-N 3.15Å; P33-Y36 HydrophobicContact CB-CD2 3.84Å; P33-Y36 HydrophobicContact CB-CE2 3.85Å; P33-Y36 HydrophobicContact CG-CD2 3.9Å; P33-Y36 HydrophobicContact CG-CE2 3.58Å; P33-Y36 WeakPolarHBondContact O-CB 3.16Å; P33-Y36 PolarHBondContact O-N 3.19Å; P33-W37 VanDerWaalsContact O-CD1 3.23Å; P33-W37 PolarHBondContact O-NE1 3.13Å
34Q96.8Very high94.9Very high144 Ų14448.4 Ų48.467%0.67329%0.285SS*.G310 helixtrans-59.5-29.3-177.4-169.7175.57.200113.5V32 Y36 W37V32-Q34 PolarHBondContact O-N 2.79Å; Q34-Y36 PolarHBondContact O-N 3.14Å; Q34-Y36 VanDerWaalsContact O-N 3.16Å; Q34-W37 HydrophobicContact CB-CD2 4.29Å; Q34-W37 HydrophobicContact CB-CZ2 4.35Å; Q34-W37 HydrophobicContact CG-CD2 3.91Å; Q34-W37 HydrophobicContact CG-CE3 3.79Å; Q34-W37 HydrophobicContact CG-CG 4.49Å; Q34-W37 HydrophobicContact CG-CH2 4.31Å; Q34-W37 HydrophobicContact CG-CZ2 4.41Å; Q34-W37 HydrophobicContact CG-CZ3 3.99Å; Q34-W37 WeakPolarHBondContact O-CB 3.45Å; Q34-W37 PolarHBondContact O-N 3Å; Q34-W37 VanDerWaalsContact O-N 3.12Å
35V96.9Very high94.8Very high68 Ų6850.8 Ų50.841%0.41230%0.298SS..G310 helixtrans-57.4-27.9176.665.20000112.4P33 P94P33-V35 HydrophobicContact CB-CG1 3.95Å; P33-V35 PolarHBondContact O-N 3.34Å; P33-V35 VanDerWaalsContact O-N 3.15Å; V35-P94 HydrophobicContact CG2-CB 4.1Å; V35-P94 HydrophobicContact CG2-CG 3.83Å; V35-P94 WeakPolarHBondContact O-CB 3.44Å
36Y98.1Very high94.9Very high0 Ų052.9 Ų52.90%030%0.298CS..G310 helixtrans-86.9-14.1-179.2-56.7-33.2000114.2P33 Q34 K38 S39 L40 V91 D93 I97 W207P33-Y36 HydrophobicContact CB-CD2 3.84Å; P33-Y36 HydrophobicContact CB-CE2 3.85Å; P33-Y36 HydrophobicContact CG-CD2 3.9Å; P33-Y36 HydrophobicContact CG-CE2 3.58Å; P33-Y36 WeakPolarHBondContact O-CB 3.16Å; P33-Y36 PolarHBondContact O-N 3.19Å; Q34-Y36 PolarHBondContact O-N 3.14Å; Q34-Y36 VanDerWaalsContact O-N 3.16Å; Y36-K38 PolarHBondContact O-N 3.26Å; Y36-S39 PolarHBondContact O-N 2.97Å; Y36-L40 WeakPolarHBondContact O-CB 3.31Å; Y36-L40 PolarHBondContact O-N 2.72Å; Y36-V91 WeakPolarHBondContact OH-CA 3.23Å; Y36-V91 PolarHBondContact OH-O 2.93Å; Y36-D93 VanDerWaalsContact CE1-O 3.27Å; Y36-D93 WeakPolarHBondContact CE1-O 3.09Å; Y36-I97 HydrophobicContact CD2-CB 4.36Å; Y36-I97 HydrophobicContact CD2-CD1 4.37Å; Y36-I97 HydrophobicContact CG-CB 4.09Å; Y36-I97 HydrophobicContact CG-CD1 4.46Å; Y36-I97 HydrophobicContact CG-CG2 4.41Å; Y36-W207 HydrophobicContact CD2-CB 4.01Å; Y36-W207 HydrophobicContact CD2-CG 4.26Å; Y36-W207 HydrophobicContact CE2-CB 3.69Å; Y36-W207 AromaticContact CE2-CD1 3.78Å; Y36-W207 AromaticContact CE2-CG 3.94Å; Y36-W207 HydrophobicContact CE2-CG 3.94Å
37W97.2Very high95Very high20 Ų2057.6 Ų57.68%0.07631%0.31CS..Hα-helixtrans-63.5-37.3-167.6-66.84.9000113.3F16 V20 L27 Q28 V32 P33 Q34 L40 Y41F16-W37 HydrophobicContact CE2-CB 4.16Å; F16-W37 HydrophobicContact CZ-CB 4.22Å; V20-W37 HydrophobicContact CG1-CE3 4.18Å; V20-W37 HydrophobicContact CG1-CZ3 3.9Å; V20-W37 HydrophobicContact CG2-CE3 4.12Å; L27-W37 HydrophobicContact CB-CZ2 4.07Å; L27-W37 HydrophobicContact CD1-CD2 4.08Å; L27-W37 HydrophobicContact CD1-CG 3.98Å; Q28-W37 HydrophobicContact CB-CZ2 4.41Å; V32-W37 PolarHBondContact O-NE1 3.26Å; P33-W37 VanDerWaalsContact O-CD1 3.23Å; P33-W37 PolarHBondContact O-NE1 3.13Å; Q34-W37 HydrophobicContact CB-CD2 4.29Å; Q34-W37 HydrophobicContact CB-CZ2 4.35Å; Q34-W37 HydrophobicContact CG-CD2 3.91Å; Q34-W37 HydrophobicContact CG-CE3 3.79Å; Q34-W37 HydrophobicContact CG-CG 4.49Å; Q34-W37 HydrophobicContact CG-CH2 4.31Å; Q34-W37 HydrophobicContact CG-CZ2 4.41Å; Q34-W37 HydrophobicContact CG-CZ3 3.99Å; Q34-W37 WeakPolarHBondContact O-CB 3.45Å; Q34-W37 PolarHBondContact O-N 3Å; Q34-W37 VanDerWaalsContact O-N 3.12Å; W37-L40 PolarHBondContact O-N 3.15Å; W37-Y41 WeakPolarHBondContact O-CB 3.33Å; W37-Y41 PolarHBondContact O-N 2.83Å
38K96.6Very high95Very high116 Ų11659.8 Ų59.850%0.50432%0.323SS..Hα-helixtrans-69.5-40178.6-167167.4-169.6161.40111.8D13 F16 Y36 H42D13-K38 IonicContact OD1-NZ 3.26Å; D13-K38 PolarHBondContact OD1-NZ 3.46Å; F16-K38 HydrophobicContact CD2-CG 4.46Å; F16-K38 HydrophobicContact CE1-CB 4.47Å; F16-K38 HydrophobicContact CE2-CB 4Å; F16-K38 HydrophobicContact CE2-CG 4.43Å; F16-K38 HydrophobicContact CZ-CB 3.97Å; Y36-K38 PolarHBondContact O-N 3.26Å; K38-H42 PolarHBondContact O-N 2.87Å
39S97.1Very high94.9Very high18 Ų1858.3 Ų58.313%0.12631%0.312CS..Hα-helixtrans-64.6-46.3174179.40000111Y36 Y41 H42 K43 P94Y36-S39 PolarHBondContact O-N 2.97Å; S39-Y41 PolarHBondContact O-N 2.99Å; S39-H42 WeakPolarHBondContact O-CB 3.31Å; S39-H42 PolarHBondContact O-N 2.93Å; S39-K43 WeakPolarHBondContact O-CG 3.44Å; S39-K43 PolarHBondContact O-N 3.21Å; S39-P94 WeakPolarHBondContact CB-O 3.32Å; S39-P94 PolarHBondContact OG-O 2.8Å
40L97.1Very high95.1Very high1 Ų154.4 Ų54.41%0.00528%0.283CS..Hα-helixtrans-56.3-49.2176.3178.160.1000111.9F19 L27 Y36 W37 H42 K43 I44 I97 L99 L205F19-L40 HydrophobicContact CZ-CD2 4.17Å; F19-L40 HydrophobicContact CZ-CG 4.35Å; L27-L40 HydrophobicContact CD1-CD2 4.18Å; L27-L40 HydrophobicContact CD2-CD2 3.55Å; Y36-L40 WeakPolarHBondContact O-CB 3.31Å; Y36-L40 PolarHBondContact O-N 2.72Å; W37-L40 PolarHBondContact O-N 3.15Å; L40-H42 VanDerWaalsContact C-N 3.35Å; L40-H42 PolarHBondContact O-N 2.99Å; L40-K43 PolarHBondContact O-N 2.97Å; L40-I44 HydrophobicContact CD1-CD1 3.6Å; L40-I44 HydrophobicContact CD1-CG1 4.03Å; L40-I44 HydrophobicContact CG-CD1 3.86Å; L40-I44 WeakPolarHBondContact O-CG1 3.49Å; L40-I44 PolarHBondContact O-N 2.8Å; L40-I97 HydrophobicContact CB-CD1 4.21Å; L40-I97 HydrophobicContact CB-CG2 4.29Å; L40-I97 HydrophobicContact CD1-CD1 4.27Å; L40-I97 HydrophobicContact CD2-CD1 4.15Å; L40-I97 HydrophobicContact CG-CD1 4.45Å; L40-L99 HydrophobicContact CD1-CD2 3.72Å; L40-L205 HydrophobicContact CD1-CD1 4.32Å; L40-L205 HydrophobicContact CD1-CD2 3.5Å; L40-L205 HydrophobicContact CD2-CD1 3.7Å; L40-L205 HydrophobicContact CD2-CD2 4.4Å
41Y95.9Very high95.3Very high46 Ų4652.9 Ų52.918%0.1827%0.273CS..Hα-helixtrans-56-50.6176.4174.1-112.6000110.9G15 F16 F19 W37 S39 K43 I44 T45G15-Y41 VanDerWaalsContact C-CZ 3.48Å; G15-Y41 VanDerWaalsContact C-OH 3.24Å; G15-Y41 WeakPolarHBondContact CA-OH 3.37Å; F16-Y41 HydrophobicContact CB-CD1 3.89Å; F16-Y41 HydrophobicContact CB-CE1 3.95Å; F16-Y41 AromaticContact CD2-CD1 3.92Å; F16-Y41 HydrophobicContact CD2-CD1 3.92Å; F16-Y41 AromaticContact CD2-CG 3.95Å; F16-Y41 HydrophobicContact CD2-CG 3.95Å; F16-Y41 HydrophobicContact CG-CD1 4.37Å; F19-Y41 HydrophobicContact CB-CD2 3.55Å; F19-Y41 HydrophobicContact CB-CE2 3.83Å; F19-Y41 HydrophobicContact CB-CG 4.3Å; F19-Y41 HydrophobicContact CD1-CD2 4.19Å; F19-Y41 HydrophobicContact CD1-CG 4.39Å; F19-Y41 AromaticContact CD2-CD2 3.74Å; F19-Y41 HydrophobicContact CD2-CD2 3.74Å; F19-Y41 HydrophobicContact CD2-CE2 4.48Å; F19-Y41 HydrophobicContact CE2-CD2 4.46Å; F19-Y41 AromaticContact CG-CD2 3.57Å; F19-Y41 HydrophobicContact CG-CD2 3.57Å; F19-Y41 HydrophobicContact CG-CE2 4.31Å; F19-Y41 HydrophobicContact CG-CG 4.2Å; W37-Y41 WeakPolarHBondContact O-CB 3.33Å; W37-Y41 PolarHBondContact O-N 2.83Å; S39-Y41 PolarHBondContact O-N 2.99Å; Y41-K43 PolarHBondContact O-N 2.91Å; Y41-I44 PolarHBondContact O-N 2.91Å; Y41-T45 HydrophobicContact CD2-CG2 3.77Å; Y41-T45 HydrophobicContact CE1-CG2 4.32Å; Y41-T45 HydrophobicContact CE2-CG2 3.36Å; Y41-T45 HydrophobicContact CG-CG2 4.41Å; Y41-T45 WeakPolarHBondContact O-CG2 3.22Å; Y41-T45 PolarHBondContact O-N 3.44Å; Y41-T45 PolarHBondContact O-OG1 3.4Å
42H95.7Very high95.2Very high106 Ų10654 Ų5449%0.49129%0.285SS..Hα-helixtrans-57.6-46177.7177.672.9000112.7K38 S39 L40 I44 T45 N46K38-H42 PolarHBondContact O-N 2.87Å; S39-H42 WeakPolarHBondContact O-CB 3.31Å; S39-H42 PolarHBondContact O-N 2.93Å; L40-H42 VanDerWaalsContact C-N 3.35Å; L40-H42 PolarHBondContact O-N 2.99Å; H42-I44 PolarHBondContact O-N 2.82Å; H42-T45 PolarHBondContact O-OG1 3.13Å; H42-N46 PolarHBondContact CE1-ND2 3.28Å; H42-N46 PolarHBondContact ND1-ND2 2.96Å; H42-N46 VanDerWaalsContact ND1-ND2 3.17Å; H42-N46 WeakPolarHBondContact O-CB 3.45Å; H42-N46 PolarHBondContact O-N 3.46Å; H42-N46 VanDerWaalsContact O-N 3.1Å; H42-N46 PolarHBondContact O-ND2 2.61Å
43K95.8Very high95Very high9 Ų961 Ų614%0.03932%0.317CS..Hα-helixtrans-64.1-41.8-179.3-69.6-173.7-176.8-166.30111.7S39 L40 Y41 E47 V48 D50 T95 I97 L99S39-K43 WeakPolarHBondContact O-CG 3.44Å; S39-K43 PolarHBondContact O-N 3.21Å; L40-K43 PolarHBondContact O-N 2.97Å; Y41-K43 PolarHBondContact O-N 2.91Å; K43-E47 CarbonylContact O-C 3.5Å; K43-E47 WeakPolarHBondContact O-CA 3.2Å; K43-E47 PolarHBondContact O-N 2.82Å; K43-V48 HydrophobicContact CB-CB 4.12Å; K43-V48 HydrophobicContact CG-CB 4.08Å; K43-V48 HydrophobicContact CG-CG1 4.33Å; K43-V48 PolarHBondContact O-N 3.31Å; K43-D50 WeakPolarHBondContact CE-OD2 3.39Å; K43-D50 IonicContact NZ-OD1 2.84Å; K43-D50 PolarHBondContact NZ-OD1 3.41Å; K43-D50 IonicContact NZ-OD2 2.67Å; K43-D50 PolarHBondContact NZ-OD2 3.3Å; K43-T95 PolarHBondContact NZ-O 2.98Å; K43-I97 WeakPolarHBondContact CD-O 3.22Å; K43-I97 WeakPolarHBondContact CE-O 3.17Å; K43-I97 PolarHBondContact NZ-O 2.87Å; K43-L99 HydrophobicContact CB-CD1 4.11Å; K43-L99 HydrophobicContact CB-CG 4.48Å
44I93.4Very high95Very high7 Ų759 Ų594%0.03630%0.304CS..Hα-helixtrans-68.7-47.2178.8-68.3174.2000111.2L40 Y41 H42 N46 E47 L99 F194 Y196L40-I44 HydrophobicContact CD1-CD1 3.6Å; L40-I44 HydrophobicContact CD1-CG1 4.03Å; L40-I44 HydrophobicContact CG-CD1 3.86Å; L40-I44 WeakPolarHBondContact O-CG1 3.49Å; L40-I44 PolarHBondContact O-N 2.8Å; Y41-I44 PolarHBondContact O-N 2.91Å; H42-I44 PolarHBondContact O-N 2.82Å; I44-N46 PolarHBondContact O-N 3.32Å; I44-E47 PolarHBondContact O-N 2.83Å; I44-L99 HydrophobicContact CD1-CD2 4.22Å; I44-L99 HydrophobicContact CG1-CD1 3.81Å; I44-L99 HydrophobicContact CG1-CD2 3.78Å; I44-L99 HydrophobicContact CG1-CG 4.42Å; I44-F194 HydrophobicContact CD1-CD1 3.92Å; I44-F194 HydrophobicContact CD1-CE1 3.43Å; I44-F194 VanDerWaalsContact CD1-CE1 3.43Å; I44-F194 HydrophobicContact CD1-CZ 4.35Å; I44-Y196 HydrophobicContact CG2-CD1 3.36Å; I44-Y196 HydrophobicContact CG2-CD2 3.93Å; I44-Y196 HydrophobicContact CG2-CE1 3.54Å; I44-Y196 HydrophobicContact CG2-CE2 4.09Å; I44-Y196 HydrophobicContact CG2-CG 3.57Å
45T91.8Very high95Very high55 Ų5552.6 Ų52.634%0.33727%0.274SS..Hα-helixtrans-67.8-24.5-176.854.40000113.4Y41 H42Y41-T45 HydrophobicContact CD2-CG2 3.77Å; Y41-T45 HydrophobicContact CE1-CG2 4.32Å; Y41-T45 HydrophobicContact CE2-CG2 3.36Å; Y41-T45 HydrophobicContact CG-CG2 4.41Å; Y41-T45 WeakPolarHBondContact O-CG2 3.22Å; Y41-T45 PolarHBondContact O-N 3.44Å; Y41-T45 PolarHBondContact O-OG1 3.4Å; H42-T45 PolarHBondContact O-OG1 3.13Å
46N92.7Very high94.9Very high93 Ų9350.2 Ų50.250%0.49726%0.263SS..THydrogen-bonded Turntrans-110.811.2-178.7-60-83.2000112.7H42 I44 V48H42-N46 PolarHBondContact CE1-ND2 3.28Å; H42-N46 PolarHBondContact ND1-ND2 2.96Å; H42-N46 VanDerWaalsContact ND1-ND2 3.17Å; H42-N46 WeakPolarHBondContact O-CB 3.45Å; H42-N46 PolarHBondContact O-N 3.46Å; H42-N46 VanDerWaalsContact O-N 3.1Å; H42-N46 PolarHBondContact O-ND2 2.61Å; I44-N46 PolarHBondContact O-N 3.32Å; N46-V48 VanDerWaalsContact C-N 3.28Å; N46-V48 HydrophobicContact CB-CG2 3.9Å; N46-V48 PolarHBondContact O-N 3.24Å
47E90.9Very high94.7Very high138 Ų13854 Ų5465%0.64528%0.282SS*.THydrogen-bonded Turntrans50.844.1178.9-58.9-177.616800113.4K43 I44 Y49K43-E47 CarbonylContact O-C 3.5Å; K43-E47 WeakPolarHBondContact O-CA 3.2Å; K43-E47 PolarHBondContact O-N 2.82Å; I44-E47 PolarHBondContact O-N 2.83Å; E47-Y49 HydrophobicContact CB-CE2 4.07Å; E47-Y49 WeakPolarHBondContact O-CD2 3.32Å; E47-Y49 WeakPolarHBondContact O-CE2 3.24Å; E47-Y49 PolarHBondContact O-N 2.87Å
48V94.7Very high94.3Very high46 Ų4658 Ų5828%0.27930%0.303SS..  trans-86.4111.2-178.2-177.40000110.2K43 N46 D50K43-V48 HydrophobicContact CB-CB 4.12Å; K43-V48 HydrophobicContact CG-CB 4.08Å; K43-V48 HydrophobicContact CG-CG1 4.33Å; K43-V48 PolarHBondContact O-N 3.31Å; N46-V48 VanDerWaalsContact C-N 3.28Å; N46-V48 HydrophobicContact CB-CG2 3.9Å; N46-V48 PolarHBondContact O-N 3.24Å; V48-D50 HydrophobicContact CG1-CB 4.25Å
49Y93Very high93.7Very high115 Ų11560.6 Ų60.645%0.45132%0.315SS..  trans-109.584.7176.5-59-85.5000110.8E47 L99 Y203E47-Y49 HydrophobicContact CB-CE2 4.07Å; E47-Y49 WeakPolarHBondContact O-CD2 3.32Å; E47-Y49 WeakPolarHBondContact O-CE2 3.24Å; E47-Y49 PolarHBondContact O-N 2.87Å; Y49-L99 HydrophobicContact CD1-CB 4.22Å; Y49-L99 HydrophobicContact CE1-CB 4.34Å; Y49-Y203 HydrophobicContact CE1-CE1 4.02Å; Y49-Y203 WeakPolarHBondContact OH-CE1 3.4Å
50D94.7Very high92.9Very high26 Ų2662.2 Ų62.214%0.13932%0.324CS..  trans-102.56.1-172.166.1-25.7000114.4K43 V48 G52 E53 F98K43-D50 WeakPolarHBondContact CE-OD2 3.39Å; K43-D50 IonicContact NZ-OD1 2.84Å; K43-D50 PolarHBondContact NZ-OD1 3.41Å; K43-D50 IonicContact NZ-OD2 2.67Å; K43-D50 PolarHBondContact NZ-OD2 3.3Å; V48-D50 HydrophobicContact CG1-CB 4.25Å; D50-G52 PolarHBondContact O-N 2.85Å; D50-E53 WeakPolarHBondContact O-CB 3.23Å; D50-E53 PolarHBondContact O-N 3.45Å; D50-F98 WeakPolarHBondContact OD1-CD1 3.47Å
51A94.1Very high91.6Very high10 Ų1069.7 Ų69.78%0.08336%0.359CS..Hα-helixtrans-56-38.8179.100000112.5E53 V54 F55 F98 F177A51-E53 PolarHBondContact O-N 3.47Å; A51-V54 PolarHBondContact O-N 3.3Å; A51-V54 VanDerWaalsContact O-N 3.11Å; A51-F55 HydrophobicContact CB-CD2 4.2Å; A51-F55 VanDerWaalsContact O-CD2 3.24Å; A51-F55 WeakPolarHBondContact O-CD2 3.36Å; A51-F55 PolarHBondContact O-N 2.94Å; A51-F98 HydrophobicContact CB-CB 4.31Å; A51-F98 HydrophobicContact CB-CD1 4.43Å; A51-F177 HydrophobicContact CB-CD1 4.28Å; A51-F177 HydrophobicContact CB-CE1 4.01Å; A51-F177 HydrophobicContact CB-CZ 4.34Å
52G92.6Very high89.7Confident66 Ų6672.7 Ų72.768%0.6837%0.374SS*.Hα-helixtrans-69.4-15.3179.100000115D50 V54D50-G52 PolarHBondContact O-N 2.85Å; G52-V54 VanDerWaalsContact C-N 3.33Å
53E94Very high87.2Confident153 Ų15376.6 Ų76.672%0.71539%0.393SS*.Hα-helixtrans-80.9-20.7173.1-56.9-173.4173.700111.9D50 A51D50-E53 WeakPolarHBondContact O-CB 3.23Å; D50-E53 PolarHBondContact O-N 3.45Å; A51-E53 PolarHBondContact O-N 3.47Å
54V95.6Very high84.7Confident3 Ų381.9 Ų81.92%0.01842%0.417CS..Hα-helixtrans-107.6-33.9-173.8-177.40000112.5A51 G52 T84 R85 L89 F98A51-V54 PolarHBondContact O-N 3.3Å; A51-V54 VanDerWaalsContact O-N 3.11Å; G52-V54 VanDerWaalsContact C-N 3.33Å; V54-T84 PolarHBondContact O-N 2.84Å; V54-T84 PolarHBondContact O-OG1 3.48Å; V54-R85 HydrophobicContact CG1-CB 4.3Å; V54-R85 PolarHBondContact O-N 3.25Å; V54-L89 HydrophobicContact CG1-CD1 3.67Å; V54-L89 HydrophobicContact CG1-CD2 3.96Å; V54-L89 HydrophobicContact CG1-CG 3.87Å; V54-F98 HydrophobicContact CB-CE1 4.06Å; V54-F98 HydrophobicContact CB-CZ 4.14Å; V54-F98 HydrophobicContact CG1-CE1 4.46Å; V54-F98 HydrophobicContact CG1-CZ 4.03Å; V54-F98 HydrophobicContact CG2-CE1 3.57Å; V54-F98 HydrophobicContact CG2-CZ 3.82Å
55F96.9Very high81.9Confident9 Ų989.7 Ų89.74%0.03946%0.459CS..EExtended strand (participates in β ladder)trans-121.8153.7-171.7-51.4-69.8000112.8A51 V81 V82 V83 L89 F98 F177 L206 V218A51-F55 HydrophobicContact CB-CD2 4.2Å; A51-F55 VanDerWaalsContact O-CD2 3.24Å; A51-F55 WeakPolarHBondContact O-CD2 3.36Å; A51-F55 PolarHBondContact O-N 2.94Å; F55-V81 HydrophobicContact CB-CG1 4.03Å; F55-V81 HydrophobicContact CG-CG1 4.46Å; F55-V82 CarbonylContact C-O 3.54Å; F55-V82 VanDerWaalsContact CA-O 3.27Å; F55-V82 WeakPolarHBondContact CA-O 3.42Å; F55-V83 HydrophobicContact CD1-CG2 4.26Å; F55-V83 HydrophobicContact CE1-CG2 4.15Å; F55-L89 HydrophobicContact CD1-CD1 4.48Å; F55-L89 HydrophobicContact CE1-CD1 3.47Å; F55-L89 VanDerWaalsContact CE1-CD1 3.47Å; F55-L89 HydrophobicContact CZ-CD1 3.79Å; F55-F98 HydrophobicContact CE2-CB 4.47Å; F55-F98 HydrophobicContact CE2-CD1 4.09Å; F55-F98 AromaticContact CE2-CD2 3.56Å; F55-F98 HydrophobicContact CE2-CD2 3.56Å; F55-F98 HydrophobicContact CE2-CE1 4.25Å; F55-F98 AromaticContact CE2-CE2 3.75Å; F55-F98 HydrophobicContact CE2-CE2 3.75Å; F55-F98 AromaticContact CE2-CG 3.75Å; F55-F98 HydrophobicContact CE2-CG 3.75Å; F55-F98 HydrophobicContact CE2-CZ 4.1Å; F55-F98 AromaticContact CZ-CD2 3.8Å; F55-F98 HydrophobicContact CZ-CD2 3.8Å; F55-F98 AromaticContact CZ-CE2 3.68Å; F55-F98 HydrophobicContact CZ-CE2 3.68Å; F55-F98 HydrophobicContact CZ-CG 4.44Å; F55-F98 HydrophobicContact CZ-CZ 4.24Å; F55-F177 HydrophobicContact CB-CD2 4.33Å; F55-F177 HydrophobicContact CB-CE2 3.41Å; F55-F177 VanDerWaalsContact CB-CE2 3.41Å; F55-F177 HydrophobicContact CB-CZ 4.01Å; F55-F177 HydrophobicContact CD2-CE1 4.4Å; F55-F177 AromaticContact CD2-CE2 3.77Å; F55-F177 HydrophobicContact CD2-CE2 3.77Å; F55-F177 AromaticContact CD2-CZ 3.42Å; F55-F177 HydrophobicContact CD2-CZ 3.42Å; F55-F177 VanDerWaalsContact CD2-CZ 3.42Å; F55-F177 HydrophobicContact CE2-CZ 4.05Å; F55-F177 AromaticContact CG-CE2 3.76Å; F55-F177 HydrophobicContact CG-CE2 3.76Å; F55-F177 AromaticContact CG-CZ 3.83Å; F55-F177 HydrophobicContact CG-CZ 3.83Å; F55-L206 HydrophobicContact CE2-CD2 3.97Å; F55-L206 HydrophobicContact CZ-CD2 3.69Å; F55-V218 HydrophobicContact CD1-CG2 3.55Å; F55-V218 HydrophobicContact CE1-CG2 3.57Å
56G95.1Very high79.4Confident18 Ų1890.1 Ų90.119%0.18648%0.475CS..EExtended strand (participates in β ladder)trans-135.4148.3173.600000112.3V81 V82G56-V81 WeakPolarHBondContact O-CA 3.47Å; G56-V82 PolarHBondContact N-O 3.18Å; G56-V82 PolarHBondContact O-N 2.67Å
57I94Very high76.8Confident79 Ų7995.1 Ų95.141%0.40550%0.495SS..EExtended strand (participates in β ladder)trans-92.2117.6174.4-54.5172.3000108.7C79 K80 V81 E176 Q180I57-C79 HydrophobicContact CG2-CB 3.89Å; I57-K80 CarbonylContact C-O 3.6Å; I57-K80 WeakPolarHBondContact CA-O 3.47Å; I57-V81 HydrophobicContact CG1-CG2 4.49Å; I57-E176 WeakPolarHBondContact CD1-O 3.37Å; I57-Q180 HydrophobicContact CD1-CG 4.37Å; I57-Q180 HydrophobicContact CG2-CG 4.4Å
58M89.8Confident74.4Confident104 Ų10497.9 Ų97.951%0.51250%0.5SS..EExtended strand (participates in β ladder)trans-104.1132.6175.7-68-17373.500110.9C79 K80 V82M58-C79 CarbonylContact O-C 3.56Å; M58-C79 VanDerWaalsContact O-CA 3.32Å; M58-C79 WeakPolarHBondContact O-CA 3.37Å; M58-K80 PolarHBondContact N-O 3.25Å; M58-K80 PolarHBondContact O-N 3.27Å; M58-V82 HydrophobicContact CG-CG1 4.46Å; M58-V82 HydrophobicContact CG-CG2 3.79Å; M58-V82 HydrophobicContact SD-CB 4.33Å; M58-V82 HydrophobicContact SD-CG1 3.9Å; M58-V82 HydrophobicContact SD-CG2 3.51Å; M58-V82 VanDerWaalsContact SD-CG2 3.51Å
59K83.6Confident71.8Confident171 Ų171105.2 Ų105.274%0.74353%0.528SS*.EExtended strand (participates in β ladder)trans-84.1127.3171.5-68.9-177.9-179.8-177.10109.7I77 G78K59-I77 HydrophobicContact CB-CG2 3.79Å; K59-I77 HydrophobicContact CD-CG2 4.25Å; K59-I77 HydrophobicContact CG-CG2 4.14Å; K59-G78 CarbonylContact C-O 3.5Å; K59-G78 WeakPolarHBondContact CA-O 3.34Å
60V80.2Confident69Low52 Ų52110 Ų11032%0.31555%0.551SS.*EExtended strand (participates in β ladder)trans-121.9132.7-178.2-172.70000108.8I77 G78 K80V60-I77 CarbonylContact O-C 3.49Å; V60-I77 WeakPolarHBondContact O-CA 3.4Å; V60-G78 PolarHBondContact N-O 3.39Å; V60-G78 PolarHBondContact O-N 2.76Å; V60-G78 VanDerWaalsContact O-O 3.12Å; V60-K80 HydrophobicContact CG2-CB 4.35Å; V60-K80 HydrophobicContact CG2-CD 3.99Å; V60-K80 HydrophobicContact CG2-CG 4.01Å
61Q68.6Low66.1Low158 Ų158112.2 Ų112.274%0.73858%0.58SS**EExtended strand (participates in β ladder)trans-78.9121171.5-67177.10.300108.3V75Q61-V75 HydrophobicContact CB-CG1 4.2Å; Q61-V75 HydrophobicContact CG-CG1 4.01Å
62Q56.8Low63.2Low108 Ų108119.6 Ų119.651%0.50562%0.618SS.*EExtended strand (participates in β ladder)trans-97.2128.4172.6-69.5-176.88.100109.4V76Q62-V76 PolarHBondContact N-O 3.17Å
63E43.8Very low60.5Low189 Ų189122.8 Ų122.888%0.88363%0.63SS**PPolyproline II helixtrans-81.4125.1164.2-66.8-175.2168.400107.5D65E63-D65 PolarHBondContact O-N 3.29Å
64E42.1Very low57.9Low119 Ų119117.9 Ų117.956%0.55662%0.621SS**  trans-67.6114.2178.2-77.1-170.2154.900110.8G66E64-G66 PolarHBondContact O-N 2.9Å
65D35.7Very low55.4Low171 Ų171122.7 Ų122.791%0.91465%0.65SS**  trans-75.3105.1159.5-88.9-30000109.4E63E63-D65 PolarHBondContact O-N 3.29Å
66G37.8Very low53.2Low65 Ų65125.5 Ų125.567%0.6767%0.667SS**SBendtrans79119.3152.100000119.6E64E64-G66 PolarHBondContact O-N 2.9Å
67E38.3Very low51.6Low197 Ų197129.5 Ų129.592%0.92168%0.684SS**  trans77.214.4153.9-57.9-157.4159.300122.2K69E67-K69 PolarHBondContact O-N 3.41Å
68R41.4Very low50.5Low197 Ų197126.3 Ų126.374%0.74367%0.67SS**  trans-95.957.7157.7-75-173.4176.8-177.80.2113
69K39.5Very low50.3Low200 Ų200122.8 Ų122.887%0.8766%0.655SS**  trans-98.792.2168.3-79.1-171-179.9174.80112E67E67-K69 PolarHBondContact O-N 3.41Å
70K35Very low50.7Low214 Ų214117.8 Ų117.893%0.9363%0.634SS**SBend-177.389.1124.6-98.4173.7-175-178.70110.4
71G32.8Very low51.5Low73 Ų73115.3 Ų115.375%0.75362%0.619SS**SBendtrans146100166.200000112.8
72N33.2Very low52.8Low165 Ų165108.4 Ų108.488%0.88259%0.587SS**  trans56.5104177.6-81.6-1.9000117.8G74N72-G74 VanDerWaalsContact C-N 3.26Å; N72-G74 PolarHBondContact O-N 3.07Å
73S36.9Very low54.7Low134 Ų134103.3 Ų103.394%0.93756%0.564SS**  trans-65.582.8158.652.60000110.2
74G39.5Very low57.2Low50 Ų5098 Ų9852%0.51554%0.544SS..  trans-94.9133.116700000109.6N72 V76N72-G74 VanDerWaalsContact C-N 3.26Å; N72-G74 PolarHBondContact O-N 3.07Å; G74-V76 PolarHBondContact O-N 3.21Å; G74-V76 VanDerWaalsContact O-N 3.14Å
75V41.9Very low59.7Low103 Ų10395.2 Ų95.262%0.62453%0.528SS*.  trans-59.6115.1167.9175.80000107.6Q61 I77Q61-V75 HydrophobicContact CB-CG1 4.2Å; Q61-V75 HydrophobicContact CG-CG1 4.01Å; V75-I77 HydrophobicContact CG1-CG1 4.42Å; V75-I77 PolarHBondContact O-N 3.44Å
76V51.8Low62.4Low68 Ų6896.3 Ų96.341%0.41253%0.528SS..EExtended strand (participates in β ladder)trans-80.4110.7173.8-177.70000107.4Q62 G74 G78Q62-V76 PolarHBondContact N-O 3.17Å; G74-V76 PolarHBondContact O-N 3.21Å; G74-V76 VanDerWaalsContact O-N 3.14Å; V76-G78 PolarHBondContact O-N 2.95Å
77I60.2Low64.9Low103 Ų10397.7 Ų97.753%0.52853%0.528SS..EExtended strand (participates in β ladder)trans-83.2105.4173-57.1175.1000107.1K59 V60 V75K59-I77 HydrophobicContact CB-CG2 3.79Å; K59-I77 HydrophobicContact CD-CG2 4.25Å; K59-I77 HydrophobicContact CG-CG2 4.14Å; V60-I77 CarbonylContact O-C 3.49Å; V60-I77 WeakPolarHBondContact O-CA 3.4Å; V75-I77 HydrophobicContact CG1-CG1 4.42Å; V75-I77 PolarHBondContact O-N 3.44Å
78G72.3Confident67.6Low12 Ų1288.5 Ų88.512%0.12449%0.485CS..EExtended strand (participates in β ladder)trans-80.4158.2168.400000111.1K59 V60 V76K59-G78 CarbonylContact C-O 3.5Å; K59-G78 WeakPolarHBondContact CA-O 3.34Å; V60-G78 PolarHBondContact N-O 3.39Å; V60-G78 PolarHBondContact O-N 2.76Å; V60-G78 VanDerWaalsContact O-O 3.12Å; V76-G78 PolarHBondContact O-N 2.95Å
79C84.8Confident70.1Confident29 Ų2979.2 Ų79.220%0.19645%0.451CS..EExtended strand (participates in β ladder)trans-114145.7168.9-64.10000109.7I57 M58 Q180 Q182I57-C79 HydrophobicContact CG2-CB 3.89Å; M58-C79 CarbonylContact O-C 3.56Å; M58-C79 VanDerWaalsContact O-CA 3.32Å; M58-C79 WeakPolarHBondContact O-CA 3.37Å; C79-Q180 HydrophobicContact CB-CB 4.49Å; C79-Q180 HydrophobicContact CB-CG 4.3Å; C79-Q180 VanDerWaalsContact CB-OE1 3.31Å; C79-Q182 PolarHBondContact O-NE2 3.43Å
80K91.8Very high72.8Confident67 Ų6774.8 Ų74.829%0.29143%0.433SS..EExtended strand (participates in β ladder)trans-128.7146.1172.7-67.1-171.8165.7-153.10109.3I57 M58 V60 E217I57-K80 CarbonylContact C-O 3.6Å; I57-K80 WeakPolarHBondContact CA-O 3.47Å; M58-K80 PolarHBondContact N-O 3.25Å; M58-K80 PolarHBondContact O-N 3.27Å; V60-K80 HydrophobicContact CG2-CB 4.35Å; V60-K80 HydrophobicContact CG2-CD 3.99Å; V60-K80 HydrophobicContact CG2-CG 4.01Å; K80-E217 HydrophobicContact CD-CG 4.41Å; K80-E217 VanDerWaalsContact CD-OE1 3.25Å; K80-E217 WeakPolarHBondContact CD-OE1 3.31Å; K80-E217 WeakPolarHBondContact CE-OE1 3.43Å; K80-E217 WeakPolarHBondContact CG-OE1 3.36Å; K80-E217 IonicContact NZ-OE1 3.58Å; K80-E217 PolarHBondContact NZ-OE1 3Å; K80-E217 IonicContact NZ-OE2 3.69Å; K80-E217 PolarHBondContact NZ-OE2 3.19Å
81V96.4Very high75.8Confident0 Ų066.8 Ų66.80%040%0.402CS..EExtended strand (participates in β ladder)trans-95.4130.9171.4178.20000108F55 G56 I57 F177 Q180 V181 V218F55-V81 HydrophobicContact CB-CG1 4.03Å; F55-V81 HydrophobicContact CG-CG1 4.46Å; G56-V81 WeakPolarHBondContact O-CA 3.47Å; I57-V81 HydrophobicContact CG1-CG2 4.49Å; V81-F177 HydrophobicContact CG1-CD2 4.18Å; V81-F177 HydrophobicContact CG1-CE2 3.43Å; V81-F177 VanDerWaalsContact CG1-CE2 3.43Å; V81-F177 HydrophobicContact CG1-CZ 4.2Å; V81-F177 HydrophobicContact CG2-CD2 4.43Å; V81-F177 HydrophobicContact CG2-CE2 4.38Å; V81-Q180 HydrophobicContact CG2-CB 3.81Å; V81-V181 HydrophobicContact CB-CG2 4.4Å; V81-V181 HydrophobicContact CG2-CG2 4.04Å; V81-V218 HydrophobicContact CB-CB 4.06Å; V81-V218 HydrophobicContact CG1-CB 3.75Å; V81-V218 HydrophobicContact CG1-CG1 4.31Å; V81-V218 HydrophobicContact CG1-CG2 3.98Å; V81-V218 PolarHBondContact O-N 3.14Å
82V96.8Very high78.8Confident13 Ų1367.4 Ų67.48%0.07939%0.394CS..EExtended strand (participates in β ladder)trans-127.7157.4176.8-58.80000111.1F55 G56 M58 T84 D216F55-V82 CarbonylContact C-O 3.54Å; F55-V82 VanDerWaalsContact CA-O 3.27Å; F55-V82 WeakPolarHBondContact CA-O 3.42Å; G56-V82 PolarHBondContact N-O 3.18Å; G56-V82 PolarHBondContact O-N 2.67Å; M58-V82 HydrophobicContact CG-CG1 4.46Å; M58-V82 HydrophobicContact CG-CG2 3.79Å; M58-V82 HydrophobicContact SD-CB 4.33Å; M58-V82 HydrophobicContact SD-CG1 3.9Å; M58-V82 HydrophobicContact SD-CG2 3.51Å; M58-V82 VanDerWaalsContact SD-CG2 3.51Å; V82-T84 HydrophobicContact CG2-CG2 4.2Å; V82-T84 PolarHBondContact O-N 3.46Å; V82-D216 CarbonylContact C-O 3.53Å; V82-D216 VanDerWaalsContact CA-O 3.22Å; V82-D216 WeakPolarHBondContact CA-O 3.08Å
83V97.4Very high81.8Confident1 Ų161.7 Ų61.71%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-72.6119.4169-175.60000109F55 R85 L89 L212 Q213 G215 D216 V218F55-V83 HydrophobicContact CD1-CG2 4.26Å; F55-V83 HydrophobicContact CE1-CG2 4.15Å; V83-R85 HydrophobicContact CG1-CB 4.45Å; V83-L89 HydrophobicContact CG1-CD1 4.03Å; V83-L89 HydrophobicContact CG2-CD1 3.71Å; V83-L212 HydrophobicContact CG2-CB 3.89Å; V83-L212 HydrophobicContact CG2-CD1 4.04Å; V83-Q213 WeakPolarHBondContact CB-O 3.4Å; V83-G215 PolarHBondContact O-N 3.08Å; V83-D216 PolarHBondContact N-O 3.36Å; V83-V218 HydrophobicContact CG2-CG2 4.04Å
84T96.3Very high84.6Confident77 Ų7758.4 Ų58.447%0.47234%0.339SS..  trans-100.9-17.3177.249.40000112.7V54 V82 E86V54-T84 PolarHBondContact O-N 2.84Å; V54-T84 PolarHBondContact O-OG1 3.48Å; V82-T84 HydrophobicContact CG2-CG2 4.2Å; V82-T84 PolarHBondContact O-N 3.46Å; T84-E86 PolarHBondContact O-N 3.05Å
85R94.4Very high87.3Confident60 Ų6059 Ų5923%0.22633%0.333CS..  trans-67.1121.7175.4-175.7170.272.6173.310.2110.8V54 V83 S87 G88V54-R85 HydrophobicContact CG1-CB 4.3Å; V54-R85 PolarHBondContact O-N 3.25Å; V83-R85 HydrophobicContact CG1-CB 4.45Å; R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 WeakPolarHBondContact CD-OG 3.37Å; R85-S87 WeakPolarHBondContact CG-OG 3.49Å; R85-S87 PolarHBondContact NE-OG 2.9Å; R85-S87 PolarHBondContact O-N 3.25Å; R85-G88 PolarHBondContact NE-O 3.5Å; R85-G88 PolarHBondContact NH2-O 2.83Å; R85-G88 PolarHBondContact O-N 2.87Å
86E90.9Very high90Very high195 Ų19554 Ų5491%0.91130%0.303SS*.THydrogen-bonded Turntrans-59.4-35.2-177-66.3-172.9169.400113.3T84 G88T84-E86 PolarHBondContact O-N 3.05Å; E86-G88 PolarHBondContact O-N 3.12Å
87S91.9Very high92.2Very high94 Ų9450.9 Ų50.966%0.65728%0.284SS*.THydrogen-bonded Turntrans-72.7-4.5177.765.90000113.7R85R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 WeakPolarHBondContact CD-OG 3.37Å; R85-S87 WeakPolarHBondContact CG-OG 3.49Å; R85-S87 PolarHBondContact NE-OG 2.9Å; R85-S87 PolarHBondContact O-N 3.25Å
88G93.6Very high94Very high3 Ų346 Ų463%0.03126%0.259CS..  trans68.1-159.7-175.200000113.1R85 E86 L212R85-G88 PolarHBondContact NE-O 3.5Å; R85-G88 PolarHBondContact NH2-O 2.83Å; R85-G88 PolarHBondContact O-N 2.87Å; E86-G88 PolarHBondContact O-N 3.12Å; G88-L212 CarbonylContact C-O 3.6Å; G88-L212 WeakPolarHBondContact CA-O 3.49Å
89L94.9Very high95.2Very high3 Ų345.6 Ų45.62%0.01625%0.254CS..BIsolated β-bridgetrans-130.9133176.3-79.7144.3000108.8V54 F55 V83 F98 D211 L212V54-L89 HydrophobicContact CG1-CD1 3.67Å; V54-L89 HydrophobicContact CG1-CD2 3.96Å; V54-L89 HydrophobicContact CG1-CG 3.87Å; F55-L89 HydrophobicContact CD1-CD1 4.48Å; F55-L89 HydrophobicContact CE1-CD1 3.47Å; F55-L89 VanDerWaalsContact CE1-CD1 3.47Å; F55-L89 HydrophobicContact CZ-CD1 3.79Å; V83-L89 HydrophobicContact CG1-CD1 4.03Å; V83-L89 HydrophobicContact CG2-CD1 3.71Å; L89-F98 HydrophobicContact CD2-CE2 3.63Å; L89-F98 HydrophobicContact CD2-CZ 3.67Å; L89-D211 CarbonylContact O-C 3.27Å; L89-D211 VanDerWaalsContact O-CA 3.27Å; L89-D211 WeakPolarHBondContact O-CA 2.96Å; L89-L212 HydrophobicContact CB-CB 4.3Å; L89-L212 HydrophobicContact CD1-CD1 4.32Å; L89-L212 PolarHBondContact N-O 2.68Å; L89-L212 PolarHBondContact O-N 2.66Å
90E96.3Very high95.8Very high106 Ų10644.2 Ų44.250%0.49525%0.245SC..  trans-111.5137.9173-64.7-177.2-176.600109.7S92 D93 S96 D211E90-S92 PolarHBondContact O-N 2.92Å; E90-S92 PolarHBondContact OE2-OG 3.2Å; E90-D93 HydrophobicContact CB-CB 4.21Å; E90-D93 WeakPolarHBondContact O-CB 3.17Å; E90-D93 PolarHBondContact O-N 2.95Å; E90-S96 WeakPolarHBondContact O-CB 3.41Å; E90-S96 PolarHBondContact O-OG 2.92Å; E90-D211 VanDerWaalsContact CA-OD1 3.32Å; E90-D211 WeakPolarHBondContact CA-OD1 3.35Å
91V96.6Very high95.9Very high47 Ų4744 Ų4429%0.28525%0.247SC..THydrogen-bonded Turntrans-65.9-24.2174.6176.80000111.1Y36 D93 P208 D211Y36-V91 WeakPolarHBondContact OH-CA 3.23Å; Y36-V91 PolarHBondContact OH-O 2.93Å; V91-D93 VanDerWaalsContact C-N 3.33Å; V91-P208 HydrophobicContact CG2-CB 4.22Å; V91-P208 HydrophobicContact CG2-CG 4.21Å; V91-D211 PolarHBondContact N-OD1 3.36Å
92S96.6Very high95.9Very high85 Ų8544.9 Ų44.959%0.59425%0.251SS*.THydrogen-bonded Turntrans-78.7-17178.182.60000113.7E90 P94E90-S92 PolarHBondContact O-N 2.92Å; E90-S92 PolarHBondContact OE2-OG 3.2Å; S92-P94 WeakPolarHBondContact O-CD 3.31Å
93D96.6Very high95.9Very high46 Ų4644.9 Ų44.925%0.24625%0.252CS..  trans-77.6115.8-179.3176.9-1.9000110.5Y36 E90 V91 T95 S96Y36-D93 VanDerWaalsContact CE1-O 3.27Å; Y36-D93 WeakPolarHBondContact CE1-O 3.09Å; E90-D93 HydrophobicContact CB-CB 4.21Å; E90-D93 WeakPolarHBondContact O-CB 3.17Å; E90-D93 PolarHBondContact O-N 2.95Å; V91-D93 VanDerWaalsContact C-N 3.33Å; D93-T95 PolarHBondContact O-N 3.31Å; D93-T95 WeakPolarHBondContact OD1-CB 3.4Å; D93-T95 PolarHBondContact OD1-N 3.37Å; D93-T95 PolarHBondContact OD1-OG1 3.33Å; D93-T95 PolarHBondContact OD2-OG1 3.48Å; D93-S96 WeakPolarHBondContact O-CB 3.43Å; D93-S96 PolarHBondContact O-N 2.84Å; D93-S96 VanDerWaalsContact O-N 3.08Å; D93-S96 PolarHBondContact O-OG 3.28Å
94P96.6Very high95.9Very high64 Ų6445.2 Ų45.242%0.41625%0.253SS..THydrogen-bonded Turntrans-56.6-19.3179.4-24.134.1000115V35 S39 S92V35-P94 HydrophobicContact CG2-CB 4.1Å; V35-P94 HydrophobicContact CG2-CG 3.83Å; V35-P94 WeakPolarHBondContact O-CB 3.44Å; S39-P94 WeakPolarHBondContact CB-O 3.32Å; S39-P94 PolarHBondContact OG-O 2.8Å; S92-P94 WeakPolarHBondContact O-CD 3.31Å
95T95.9Very high95.8Very high62 Ų6244.2 Ų44.238%0.3825%0.247SC..THydrogen-bonded Turntrans-85.9-8.9-178.272.40000114.1K43 D93 I97K43-T95 PolarHBondContact NZ-O 2.98Å; D93-T95 PolarHBondContact O-N 3.31Å; D93-T95 WeakPolarHBondContact OD1-CB 3.4Å; D93-T95 PolarHBondContact OD1-N 3.37Å; D93-T95 PolarHBondContact OD1-OG1 3.33Å; D93-T95 PolarHBondContact OD2-OG1 3.48Å; T95-I97 PolarHBondContact O-N 2.86Å
96S96.9Very high95.8Very high0 Ų041.7 Ų41.70%024%0.238CC..  trans-7345.7-178.4-64.70000114.3E90 D93 P208E90-S96 WeakPolarHBondContact O-CB 3.41Å; E90-S96 PolarHBondContact O-OG 2.92Å; D93-S96 WeakPolarHBondContact O-CB 3.43Å; D93-S96 PolarHBondContact O-N 2.84Å; D93-S96 VanDerWaalsContact O-N 3.08Å; D93-S96 PolarHBondContact O-OG 3.28Å; S96-P208 WeakPolarHBondContact O-CD 3.38Å
97I98.1Very high95.9Very high1 Ų135.3 Ų35.31%0.00521%0.205CC..  trans-135.5133.7172.5-172.8159.4000109.9V32 Y36 L40 K43 T95 L205 L206 W207V32-I97 HydrophobicContact CG1-CD1 3.67Å; Y36-I97 HydrophobicContact CD2-CB 4.36Å; Y36-I97 HydrophobicContact CD2-CD1 4.37Å; Y36-I97 HydrophobicContact CG-CB 4.09Å; Y36-I97 HydrophobicContact CG-CD1 4.46Å; Y36-I97 HydrophobicContact CG-CG2 4.41Å; L40-I97 HydrophobicContact CB-CD1 4.21Å; L40-I97 HydrophobicContact CB-CG2 4.29Å; L40-I97 HydrophobicContact CD1-CD1 4.27Å; L40-I97 HydrophobicContact CD2-CD1 4.15Å; L40-I97 HydrophobicContact CG-CD1 4.45Å; K43-I97 WeakPolarHBondContact CD-O 3.22Å; K43-I97 WeakPolarHBondContact CE-O 3.17Å; K43-I97 PolarHBondContact NZ-O 2.87Å; T95-I97 PolarHBondContact O-N 2.86Å; I97-L205 HydrophobicContact CD1-CD1 4.42Å; I97-L206 CarbonylContact C-O 3.58Å; I97-L206 WeakPolarHBondContact CA-O 3.43Å; I97-W207 HydrophobicContact CG1-CB 4.45Å
98F98.1Very high95.9Very high0 Ų032.1 Ų32.10%018%0.182CC..EExtended strand (participates in β ladder)trans-127.3143.1-169.9-55.8-83.4000111.4D50 A51 V54 F55 L89 L205 L206D50-F98 WeakPolarHBondContact OD1-CD1 3.47Å; A51-F98 HydrophobicContact CB-CB 4.31Å; A51-F98 HydrophobicContact CB-CD1 4.43Å; V54-F98 HydrophobicContact CB-CE1 4.06Å; V54-F98 HydrophobicContact CB-CZ 4.14Å; V54-F98 HydrophobicContact CG1-CE1 4.46Å; V54-F98 HydrophobicContact CG1-CZ 4.03Å; V54-F98 HydrophobicContact CG2-CE1 3.57Å; V54-F98 HydrophobicContact CG2-CZ 3.82Å; F55-F98 HydrophobicContact CE2-CB 4.47Å; F55-F98 HydrophobicContact CE2-CD1 4.09Å; F55-F98 AromaticContact CE2-CD2 3.56Å; F55-F98 HydrophobicContact CE2-CD2 3.56Å; F55-F98 HydrophobicContact CE2-CE1 4.25Å; F55-F98 AromaticContact CE2-CE2 3.75Å; F55-F98 HydrophobicContact CE2-CE2 3.75Å; F55-F98 AromaticContact CE2-CG 3.75Å; F55-F98 HydrophobicContact CE2-CG 3.75Å; F55-F98 HydrophobicContact CE2-CZ 4.1Å; F55-F98 AromaticContact CZ-CD2 3.8Å; F55-F98 HydrophobicContact CZ-CD2 3.8Å; F55-F98 AromaticContact CZ-CE2 3.68Å; F55-F98 HydrophobicContact CZ-CE2 3.68Å; F55-F98 HydrophobicContact CZ-CG 4.44Å; F55-F98 HydrophobicContact CZ-CZ 4.24Å; L89-F98 HydrophobicContact CD2-CE2 3.63Å; L89-F98 HydrophobicContact CD2-CZ 3.67Å; F98-L205 WeakPolarHBondContact O-CA 3.2Å; F98-L206 HydrophobicContact CB-CB 4.43Å; F98-L206 HydrophobicContact CD2-CD2 3.81Å; F98-L206 PolarHBondContact N-O 3.14Å; F98-L206 PolarHBondContact O-N 2.9Å
99L97.4Very high95.7Very high5 Ų537.2 Ų37.23%0.02621%0.205CC..EExtended strand (participates in β ladder)trans-88.8127172.5-59.8179.5000109.2L40 K43 I44 Y49 Y203 L205L40-L99 HydrophobicContact CD1-CD2 3.72Å; K43-L99 HydrophobicContact CB-CD1 4.11Å; K43-L99 HydrophobicContact CB-CG 4.48Å; I44-L99 HydrophobicContact CD1-CD2 4.22Å; I44-L99 HydrophobicContact CG1-CD1 3.81Å; I44-L99 HydrophobicContact CG1-CD2 3.78Å; I44-L99 HydrophobicContact CG1-CG 4.42Å; Y49-L99 HydrophobicContact CD1-CB 4.22Å; Y49-L99 HydrophobicContact CE1-CB 4.34Å; L99-Y203 HydrophobicContact CB-CD1 4.49Å; L99-Y203 HydrophobicContact CD2-CG 4.41Å; L99-L205 HydrophobicContact CD2-CD2 3.58Å
100V97.3Very high95.5Very high0 Ų040.8 Ų40.80%022%0.221CC..EExtended strand (participates in β ladder)trans-114.7124.2173.9177.80000108M174 F177 M191 T204 L206V100-M174 HydrophobicContact CG1-CB 4.01Å; V100-M174 HydrophobicContact CG1-CG 4.17Å; V100-M174 HydrophobicContact CG1-SD 4.03Å; V100-F177 HydrophobicContact CG1-CD1 4.36Å; V100-F177 HydrophobicContact CG2-CD1 3.88Å; V100-F177 HydrophobicContact CG2-CE1 3.66Å; V100-M191 HydrophobicContact CB-CE 4.38Å; V100-M191 HydrophobicContact CG1-CE 4.27Å; V100-M191 HydrophobicContact CG2-CE 3.97Å; V100-T204 VanDerWaalsContact CB-O 3.32Å; V100-T204 WeakPolarHBondContact CB-O 3.47Å; V100-T204 PolarHBondContact N-O 2.83Å; V100-T204 PolarHBondContact O-N 2.89Å; V100-L206 HydrophobicContact CG2-CB 4.19Å
101D95.1Very high95.5Very high62 Ų6235.9 Ų35.933%0.33220%0.199SC..  trans-79157.6-172.4-168.224.4000111.8M174 D175D101-M174 CarbonylContact O-C 3.47Å; D101-M174 VanDerWaalsContact O-CA 3.29Å; D101-M174 WeakPolarHBondContact O-CA 3.23Å; D101-D175 HydrophobicContact CB-CB 4.33Å; D101-D175 PolarHBondContact N-OD2 2.83Å; D101-D175 VanDerWaalsContact N-OD2 3.1Å; D101-D175 PolarHBondContact O-N 2.8Å
102H95.6Very high95.4Very high18 Ų1834.9 Ų34.98%0.08319%0.19CC..  trans-99.693.9176.1-69-166.9000108.7W104 Y172 I173 Y203 T204H102-W104 PolarHBondContact O-N 2.88Å; H102-W104 VanDerWaalsContact O-N 3.11Å; H102-Y172 HydrophobicContact CB-CD2 4.4Å; H102-Y172 AromaticContact CD2-CD2 3.61Å; H102-Y172 AromaticContact CD2-CE2 3.72Å; H102-Y172 AromaticContact CE1-CD1 3.91Å; H102-Y172 AromaticContact CE1-CD2 3.39Å; H102-Y172 WeakPolarHBondContact CE1-CD2 3.36Å; H102-Y172 AromaticContact CE1-CE1 3.96Å; H102-Y172 AromaticContact CE1-CE2 3.45Å; H102-Y172 VanDerWaalsContact CE1-CE2 3.45Å; H102-Y172 WeakPolarHBondContact CE1-CE2 3.46Å; H102-Y172 AromaticContact CE1-CG 3.61Å; H102-Y172 AromaticContact CE1-CZ 3.71Å; H102-Y172 AromaticContact CG-CD2 3.57Å; H102-Y172 AromaticContact ND1-CD2 3.44Å; H102-Y172 WeakPolarHBondContact ND1-CD2 3.3Å; H102-Y172 AromaticContact ND1-CE2 3.99Å; H102-Y172 AromaticContact ND1-CG 3.49Å; H102-Y172 AromaticContact NE2-CD2 3.49Å; H102-Y172 WeakPolarHBondContact NE2-CD2 3.38Å; H102-Y172 AromaticContact NE2-CE2 3.24Å; H102-Y172 WeakPolarHBondContact NE2-CE2 3.37Å; H102-Y172 AromaticContact NE2-CZ 3.76Å; H102-I173 CarbonylContact C-O 3.55Å; H102-Y203 PolarHBondContact NE2-O 3.08Å; H102-T204 PolarHBondContact NE2-N 2.88Å; H102-T204 PolarHBondContact NE2-OG1 2.93Å; H102-T204 VanDerWaalsContact NE2-OG1 3.08Å
103A96.5Very high95.2Very high14 Ų1435 Ų3512%0.11618%0.182CC..SBendtrans-55.4-29.7178.900000114.2M125 I173A103-M125 HydrophobicContact CB-CE 4.01Å; A103-I173 PolarHBondContact N-O 3.4Å
104W97.6Very high95.2Very high8 Ų835 Ų353%0.0318%0.18CC..EExtended strand (participates in β ladder)trans-151.1124.7177.1-175.824.8000110.2H102 Y106 A111 Q114 L115 L121 M125 M150 Y172 I173H102-W104 PolarHBondContact O-N 2.88Å; H102-W104 VanDerWaalsContact O-N 3.11Å; W104-Y106 AromaticContact CD2-CD1 3.78Å; W104-Y106 HydrophobicContact CD2-CD1 3.78Å; W104-Y106 HydrophobicContact CD2-CE1 4.26Å; W104-Y106 HydrophobicContact CD2-CG 4.38Å; W104-Y106 AromaticContact CE2-CD1 3.67Å; W104-Y106 AromaticContact CE2-CG 3.79Å; W104-Y106 HydrophobicContact CE3-CD1 4.27Å; W104-Y106 HydrophobicContact CE3-CE1 4.3Å; W104-Y106 HydrophobicContact CG-CD1 4.11Å; W104-Y106 HydrophobicContact CZ2-CD1 4.07Å; W104-Y106 HydrophobicContact CZ2-CD2 4.22Å; W104-Y106 AromaticContact CZ2-CG 3.94Å; W104-Y106 HydrophobicContact CZ2-CG 3.94Å; W104-Y106 HydrophobicContact CZ3-CE1 4.48Å; W104-Y106 AromaticContact NE1-CD1 3.91Å; W104-Y106 AromaticContact NE1-CG 3.89Å; W104-A111 HydrophobicContact CH2-CB 4.08Å; W104-A111 HydrophobicContact CZ2-CB 4.07Å; W104-A111 WeakPolarHBondContact CZ2-O 3.47Å; W104-Q114 HydrophobicContact CZ2-CB 4.37Å; W104-L115 HydrophobicContact CH2-CD1 3.75Å; W104-L115 HydrophobicContact CH2-CD2 3.79Å; W104-L115 HydrophobicContact CH2-CG 3.57Å; W104-L115 HydrophobicContact CZ2-CD2 4.3Å; W104-L115 HydrophobicContact CZ2-CG 3.98Å; W104-L115 HydrophobicContact CZ3-CD1 4.35Å; W104-L115 HydrophobicContact CZ3-CD2 3.92Å; W104-L115 HydrophobicContact CZ3-CG 4.21Å; W104-L121 HydrophobicContact CB-CD1 3.9Å; W104-L121 HydrophobicContact CD2-CD1 4.1Å; W104-L121 HydrophobicContact CD2-CD2 4.1Å; W104-L121 HydrophobicContact CG-CD1 3.75Å; W104-L121 HydrophobicContact CG-CD2 4.16Å; W104-L121 HydrophobicContact CZ2-CD2 4.27Å; W104-M125 HydrophobicContact CB-CE 4.47Å; W104-M125 HydrophobicContact CB-SD 4.27Å; W104-M125 HydrophobicContact CE3-CG 3.88Å; W104-M125 HydrophobicContact CE3-SD 3.76Å; W104-M125 HydrophobicContact CZ3-CG 4.27Å; W104-M150 HydrophobicContact CE3-CE 4.1Å; W104-M150 HydrophobicContact CH2-CE 3.61Å; W104-M150 HydrophobicContact CZ3-CE 3.29Å; W104-Y172 CarbonylContact O-C 3.59Å; W104-Y172 WeakPolarHBondContact O-CA 3.28Å; W104-Y172 WeakPolarHBondContact O-CB 3.49Å; W104-I173 HydrophobicContact CB-CB 4.47Å; W104-I173 HydrophobicContact CE3-CD1 3.82Å; W104-I173 HydrophobicContact CE3-CG1 4.45Å; W104-I173 HydrophobicContact CZ3-CD1 4.23Å; W104-I173 PolarHBondContact N-O 3.42Å; W104-I173 PolarHBondContact O-N 3.12Å
105T95.7Very high95Very high56 Ų5632.1 Ų32.134%0.34416%0.161SC..EExtended strand (participates in β ladder)trans-123130.1174.3-61.80000109V170 W171T105-V170 HydrophobicContact CG2-CG1 3.36Å; T105-W171 CarbonylContact C-O 3.58Å; T105-W171 WeakPolarHBondContact CA-O 3.43Å
106Y94.8Very high94.8Very high7 Ų734.8 Ų34.83%0.02717%0.169CC..EExtended strand (participates in β ladder)trans-157.3163.5-169.170.4-77.7000113.3W104 A111 M150 N154 W171W104-Y106 AromaticContact CD2-CD1 3.78Å; W104-Y106 HydrophobicContact CD2-CD1 3.78Å; W104-Y106 HydrophobicContact CD2-CE1 4.26Å; W104-Y106 HydrophobicContact CD2-CG 4.38Å; W104-Y106 AromaticContact CE2-CD1 3.67Å; W104-Y106 AromaticContact CE2-CG 3.79Å; W104-Y106 HydrophobicContact CE3-CD1 4.27Å; W104-Y106 HydrophobicContact CE3-CE1 4.3Å; W104-Y106 HydrophobicContact CG-CD1 4.11Å; W104-Y106 HydrophobicContact CZ2-CD1 4.07Å; W104-Y106 HydrophobicContact CZ2-CD2 4.22Å; W104-Y106 AromaticContact CZ2-CG 3.94Å; W104-Y106 HydrophobicContact CZ2-CG 3.94Å; W104-Y106 HydrophobicContact CZ3-CE1 4.48Å; W104-Y106 AromaticContact NE1-CD1 3.91Å; W104-Y106 AromaticContact NE1-CG 3.89Å; Y106-A111 HydrophobicContact CD2-CB 3.58Å; Y106-A111 HydrophobicContact CE2-CB 3.64Å; Y106-M150 HydrophobicContact CE1-CE 3.68Å; Y106-M150 HydrophobicContact CE2-CE 3.9Å; Y106-M150 WeakPolarHBondContact OH-CE 3.41Å; Y106-N154 VanDerWaalsContact OH-CG 3.23Å; Y106-N154 PolarHBondContact OH-ND2 3.13Å; Y106-N154 PolarHBondContact OH-OD1 3.32Å; Y106-N154 VanDerWaalsContact OH-OD1 3.05Å; Y106-W171 HydrophobicContact CD1-CB 4.27Å; Y106-W171 WeakPolarHBondContact CD1-O 3.38Å; Y106-W171 HydrophobicContact CE1-CB 3.67Å; Y106-W171 HydrophobicContact CE2-CB 4.03Å; Y106-W171 VanDerWaalsContact CZ-CB 3.49Å; Y106-W171 PolarHBondContact N-O 2.84Å; Y106-W171 PolarHBondContact O-N 2.89Å
107R92Very high94.7Very high61 Ų6140.9 Ų40.923%0.2320%0.198CC..  trans-100.7143160-58-171.8177.3-76.35.2108.5E109 H110 A111 E165 E166 A168R107-E109 VanDerWaalsContact CB-CD 3.5Å; R107-E109 VanDerWaalsContact CB-OE1 3.31Å; R107-E109 WeakPolarHBondContact CB-OE1 3.32Å; R107-E109 WeakPolarHBondContact CB-OE2 3.46Å; R107-E109 VanDerWaalsContact CD-OE1 3.25Å; R107-E109 WeakPolarHBondContact CD-OE1 3.42Å; R107-E109 PolarHBondContact O-N 3.19Å; R107-E109 VanDerWaalsContact O-N 3.16Å; R107-H110 PolarHBondContact O-N 2.92Å; R107-A111 PolarHBondContact O-N 2.98Å; R107-E165 PolarHBondContact NH2-O 3.12Å; R107-E166 PolarHBondContact NH2-O 3.41Å; R107-A168 PolarHBondContact NH1-O 2.88Å
108V91.9Very high94.5Very high27 Ų2744.7 Ų44.716%0.16422%0.217CC..G310 helixtrans-52-43.7-170.6173.30000112.5H110 A111 W151 W171 Y417V108-H110 PolarHBondContact O-N 3.44Å; V108-H110 VanDerWaalsContact O-N 3.15Å; V108-A111 VanDerWaalsContact O-CB 3.22Å; V108-A111 WeakPolarHBondContact O-CB 3.43Å; V108-A111 PolarHBondContact O-N 2.75Å; V108-W151 HydrophobicContact CG2-CH2 4.19Å; V108-W171 HydrophobicContact CG2-CG 4.38Å; V108-Y417 WeakPolarHBondContact CG1-OH 3.49Å
109E88.6Confident94.2Very high110 Ų11050.7 Ų50.751%0.51426%0.256SS..G310 helixtrans-61.5-22.1-178.564.5-84.3-165.100113.6R107R107-E109 VanDerWaalsContact CB-CD 3.5Å; R107-E109 VanDerWaalsContact CB-OE1 3.31Å; R107-E109 WeakPolarHBondContact CB-OE1 3.32Å; R107-E109 WeakPolarHBondContact CB-OE2 3.46Å; R107-E109 VanDerWaalsContact CD-OE1 3.25Å; R107-E109 WeakPolarHBondContact CD-OE1 3.42Å; R107-E109 PolarHBondContact O-N 3.19Å; R107-E109 VanDerWaalsContact O-N 3.16Å
110H92.2Very high94Very high77 Ų7752.7 Ų52.736%0.35628%0.278SS..G310 helixtrans-100.2-2177.3-54.5110.4000112.8R107 V108 R112 E113 Q114R107-H110 PolarHBondContact O-N 2.92Å; V108-H110 PolarHBondContact O-N 3.44Å; V108-H110 VanDerWaalsContact O-N 3.15Å; H110-R112 PolarHBondContact O-N 2.95Å; H110-E113 PolarHBondContact O-N 2.97Å; H110-Q114 HydrophobicContact CB-CG 4.32Å; H110-Q114 WeakPolarHBondContact O-CB 3.48Å; H110-Q114 WeakPolarHBondContact O-CG 3.13Å; H110-Q114 PolarHBondContact O-N 3.17Å
111A94.8Very high93.9Very high4 Ų453.2 Ų53.23%0.03328%0.281CS..Hα-helixtrans-60.4-48.3-170.400000112.5W104 Y106 R107 V108 Q114 L115 L147W104-A111 HydrophobicContact CH2-CB 4.08Å; W104-A111 HydrophobicContact CZ2-CB 4.07Å; W104-A111 WeakPolarHBondContact CZ2-O 3.47Å; Y106-A111 HydrophobicContact CD2-CB 3.58Å; Y106-A111 HydrophobicContact CE2-CB 3.64Å; R107-A111 PolarHBondContact O-N 2.98Å; V108-A111 VanDerWaalsContact O-CB 3.22Å; V108-A111 WeakPolarHBondContact O-CB 3.43Å; V108-A111 PolarHBondContact O-N 2.75Å; A111-Q114 PolarHBondContact O-N 3.18Å; A111-L115 WeakPolarHBondContact O-CG 3.31Å; A111-L115 PolarHBondContact O-N 2.91Å; A111-L115 VanDerWaalsContact O-N 3.08Å; A111-L147 HydrophobicContact CB-CD2 3.82Å
112R94.3Very high93.8Very high26 Ų2650.9 Ų50.910%0.09827%0.268CS..Hα-helixtrans-60.8-52.9177177.2-178.8-57.9-75-1.5111.3H110 Q114 L115 E116 V143 E144 L147 D485H110-R112 PolarHBondContact O-N 2.95Å; R112-Q114 PolarHBondContact O-N 3.03Å; R112-L115 WeakPolarHBondContact O-CB 3.36Å; R112-L115 PolarHBondContact O-N 3.37Å; R112-L115 VanDerWaalsContact O-N 3.11Å; R112-E116 HydrophobicContact CG-CG 4.5Å; R112-E116 WeakPolarHBondContact CG-OE1 3.35Å; R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.17Å; R112-V143 HydrophobicContact CG-CG1 4.1Å; R112-E144 IonicContact CZ-OE1 2.75Å; R112-E144 IonicContact NH1-OE1 3.17Å; R112-E144 PolarHBondContact NH1-OE1 3Å; R112-E144 VanDerWaalsContact NH2-CD 3.33Å; R112-E144 IonicContact NH2-OE1 2.63Å; R112-E144 PolarHBondContact NH2-OE1 3.39Å; R112-E144 IonicContact NH2-OE2 2.75Å; R112-E144 PolarHBondContact NH2-OE2 2.97Å; R112-L147 HydrophobicContact CB-CD1 4.14Å; R112-D485 VanDerWaalsContact CD-OD2 3.24Å; R112-D485 WeakPolarHBondContact CD-OD2 3.38Å; R112-D485 IonicContact CZ-OD1 3.63Å; R112-D485 IonicContact CZ-OD2 2.74Å; R112-D485 VanDerWaalsContact NE-CG 3.33Å; R112-D485 IonicContact NE-OD1 2.86Å; R112-D485 PolarHBondContact NE-OD1 2.82Å; R112-D485 IonicContact NE-OD2 3.55Å; R112-D485 PolarHBondContact NE-OD2 2.85Å; R112-D485 IonicContact NH2-OD1 3.71Å; R112-D485 PolarHBondContact NH2-OD1 2.64Å
113E93.3Very high93.6Very high88 Ų8853.1 Ų53.141%0.41128%0.284SS..Hα-helixtrans-55.9-43.2-178.5-173.3179.5-17000111.3H110 E116 Q117H110-E113 PolarHBondContact O-N 2.97Å; E113-E116 PolarHBondContact O-N 3.47Å; E113-Q117 HydrophobicContact CG-CG 4.18Å; E113-Q117 VanDerWaalsContact O-CB 3.28Å; E113-Q117 WeakPolarHBondContact O-CB 3.27Å; E113-Q117 VanDerWaalsContact O-CG 3.31Å; E113-Q117 WeakPolarHBondContact O-CG 3.31Å; E113-Q117 PolarHBondContact O-N 3.33Å; E113-Q117 PolarHBondContact OE1-NE2 3.31Å
114Q95.7Very high93.5Very high44 Ų4456.5 Ų56.521%0.20629%0.294CS..Hα-helixtrans-65.8-42178.1-73-178.63.100112.6W104 H110 A111 R112 E116 Q117 I118 L121W104-Q114 HydrophobicContact CZ2-CB 4.37Å; H110-Q114 HydrophobicContact CB-CG 4.32Å; H110-Q114 WeakPolarHBondContact O-CB 3.48Å; H110-Q114 WeakPolarHBondContact O-CG 3.13Å; H110-Q114 PolarHBondContact O-N 3.17Å; A111-Q114 PolarHBondContact O-N 3.18Å; R112-Q114 PolarHBondContact O-N 3.03Å; Q114-E116 PolarHBondContact O-N 3.04Å; Q114-Q117 PolarHBondContact O-N 3.46Å; Q114-I118 HydrophobicContact CB-CD1 3.75Å; Q114-I118 HydrophobicContact CB-CG1 4.21Å; Q114-I118 HydrophobicContact CG-CD1 3.79Å; Q114-I118 HydrophobicContact CG-CG1 4.45Å; Q114-I118 VanDerWaalsContact O-CB 3.24Å; Q114-I118 WeakPolarHBondContact O-CB 3.21Å; Q114-I118 WeakPolarHBondContact O-CG1 3.39Å; Q114-I118 PolarHBondContact O-N 3.26Å; Q114-L121 HydrophobicContact CB-CD2 4.17Å
115L93.9Very high93.4Very high4 Ų456.1 Ų56.12%0.02129%0.292CS..Hα-helixtrans-60.1-35.7174.5-73.8170.2000111.9W104 A111 R112 L121 L122 M125 V143 I146 L147W104-L115 HydrophobicContact CH2-CD1 3.75Å; W104-L115 HydrophobicContact CH2-CD2 3.79Å; W104-L115 HydrophobicContact CH2-CG 3.57Å; W104-L115 HydrophobicContact CZ2-CD2 4.3Å; W104-L115 HydrophobicContact CZ2-CG 3.98Å; W104-L115 HydrophobicContact CZ3-CD1 4.35Å; W104-L115 HydrophobicContact CZ3-CD2 3.92Å; W104-L115 HydrophobicContact CZ3-CG 4.21Å; A111-L115 WeakPolarHBondContact O-CG 3.31Å; A111-L115 PolarHBondContact O-N 2.91Å; A111-L115 VanDerWaalsContact O-N 3.08Å; R112-L115 WeakPolarHBondContact O-CB 3.36Å; R112-L115 PolarHBondContact O-N 3.37Å; R112-L115 VanDerWaalsContact O-N 3.11Å; L115-L121 HydrophobicContact CD2-CD2 4.25Å; L115-L121 HydrophobicContact CD2-CG 4.14Å; L115-L122 HydrophobicContact CB-CD1 4.07Å; L115-L122 HydrophobicContact CD2-CD1 4.1Å; L115-M125 HydrophobicContact CD2-CB 4.31Å; L115-M125 HydrophobicContact CD2-CG 4.14Å; L115-V143 HydrophobicContact CB-CG1 4.47Å; L115-V143 HydrophobicContact CD1-CG1 4.16Å; L115-I146 HydrophobicContact CD1-CB 4.36Å; L115-I146 HydrophobicContact CD1-CG2 3.76Å; L115-I146 HydrophobicContact CD2-CG2 4Å; L115-L147 HydrophobicContact CD1-CD2 3.8Å; L115-L147 HydrophobicContact CD1-CG 4.01Å
116E92Very high93.2Very high118 Ų11853.5 Ų53.555%0.55128%0.277SS*.Hα-helixtrans-80.5-35.1-179.1-69.3172.3179.300113R112 E113 Q114 V143R112-E116 HydrophobicContact CG-CG 4.5Å; R112-E116 WeakPolarHBondContact CG-OE1 3.35Å; R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.17Å; E113-E116 PolarHBondContact O-N 3.47Å; Q114-E116 PolarHBondContact O-N 3.04Å; E116-V143 HydrophobicContact CG-CG2 4.27Å
117Q93.4Very high93Very high129 Ų12958 Ų5860%0.60331%0.309SS*.Hα-helixtrans-104.8-28.6-169.6-63.2-176.316.700114.7E113 Q114 P119E113-Q117 HydrophobicContact CG-CG 4.18Å; E113-Q117 VanDerWaalsContact O-CB 3.28Å; E113-Q117 WeakPolarHBondContact O-CB 3.27Å; E113-Q117 VanDerWaalsContact O-CG 3.31Å; E113-Q117 WeakPolarHBondContact O-CG 3.31Å; E113-Q117 PolarHBondContact O-N 3.33Å; E113-Q117 PolarHBondContact OE1-NE2 3.31Å; Q114-Q117 PolarHBondContact O-N 3.46Å; Q117-P119 VanDerWaalsContact O-CD 3.28Å; Q117-P119 WeakPolarHBondContact O-CD 3.28Å
118I94.8Very high93Very high80 Ų8055.7 Ų55.741%0.4130%0.301SS..SBendtrans-79.9116.8-178-61.2-177.7000109.6Q114 G120 L121Q114-I118 HydrophobicContact CB-CD1 3.75Å; Q114-I118 HydrophobicContact CB-CG1 4.21Å; Q114-I118 HydrophobicContact CG-CD1 3.79Å; Q114-I118 HydrophobicContact CG-CG1 4.45Å; Q114-I118 VanDerWaalsContact O-CB 3.24Å; Q114-I118 WeakPolarHBondContact O-CB 3.21Å; Q114-I118 WeakPolarHBondContact O-CG1 3.39Å; Q114-I118 PolarHBondContact O-N 3.26Å; I118-G120 PolarHBondContact O-N 2.85Å; I118-L121 HydrophobicContact CB-CB 3.98Å; I118-L121 HydrophobicContact CB-CD2 4.13Å; I118-L121 HydrophobicContact CD1-CD2 4.19Å; I118-L121 HydrophobicContact CG2-CB 3.93Å; I118-L121 PolarHBondContact O-N 2.95Å
119P92.3Very high93Very high126 Ų12654.7 Ų54.782%0.81830%0.295SS*.THydrogen-bonded Turntrans-59.6130-178.6-24.435.3000112.2Q117 L121Q117-P119 VanDerWaalsContact O-CD 3.28Å; Q117-P119 WeakPolarHBondContact O-CD 3.28Å; P119-L121 PolarHBondContact O-N 3.45Å
120G91.9Very high93Very high47 Ų4751.9 Ų51.949%0.48530%0.295SS..THydrogen-bonded Turntrans80.3-10.9176.300000115.6I118 P123 R124I118-G120 PolarHBondContact O-N 2.85Å; G120-P123 WeakPolarHBondContact O-CD 3.14Å; G120-P123 WeakPolarHBondContact O-CG 3.35Å; G120-R124 WeakPolarHBondContact O-CB 3.33Å; G120-R124 PolarHBondContact O-N 3.48Å
121L94.8Very high92.8Very high12 Ų1248.8 Ų48.86%0.06328%0.282CS..Hα-helixtrans-66.2-50.1-179.8179.762.4000111.9W104 Q114 L115 I118 P119 R124 M125W104-L121 HydrophobicContact CB-CD1 3.9Å; W104-L121 HydrophobicContact CD2-CD1 4.1Å; W104-L121 HydrophobicContact CD2-CD2 4.1Å; W104-L121 HydrophobicContact CG-CD1 3.75Å; W104-L121 HydrophobicContact CG-CD2 4.16Å; W104-L121 HydrophobicContact CZ2-CD2 4.27Å; Q114-L121 HydrophobicContact CB-CD2 4.17Å; L115-L121 HydrophobicContact CD2-CD2 4.25Å; L115-L121 HydrophobicContact CD2-CG 4.14Å; I118-L121 HydrophobicContact CB-CB 3.98Å; I118-L121 HydrophobicContact CB-CD2 4.13Å; I118-L121 HydrophobicContact CD1-CD2 4.19Å; I118-L121 HydrophobicContact CG2-CB 3.93Å; I118-L121 PolarHBondContact O-N 2.95Å; P119-L121 PolarHBondContact O-N 3.45Å; L121-R124 PolarHBondContact O-N 2.96Å; L121-M125 HydrophobicContact CD1-CE 4.29Å; L121-M125 HydrophobicContact CD1-CG 3.85Å; L121-M125 HydrophobicContact CD1-SD 4.49Å; L121-M125 HydrophobicContact CG-CG 4.27Å; L121-M125 WeakPolarHBondContact O-CG 3.36Å; L121-M125 PolarHBondContact O-N 3.44Å
122L93.3Very high92Very high12 Ų1255.3 Ų55.36%0.06332%0.316CS..Hα-helixtrans-55.8-52.3179.5-170.676.6000113.6L115 R124 M125 A126 F133 P138 V142 V143 I146L115-L122 HydrophobicContact CB-CD1 4.07Å; L115-L122 HydrophobicContact CD2-CD1 4.1Å; L122-R124 VanDerWaalsContact C-N 3.31Å; L122-R124 PolarHBondContact O-N 3.29Å; L122-M125 PolarHBondContact O-N 2.88Å; L122-A126 WeakPolarHBondContact O-CB 3.47Å; L122-A126 PolarHBondContact O-N 3.05Å; L122-F133 HydrophobicContact CD2-CE1 4.4Å; L122-F133 HydrophobicContact CD2-CZ 4.05Å; L122-F133 HydrophobicContact CG-CE1 4.09Å; L122-F133 HydrophobicContact CG-CZ 4Å; L122-P138 HydrophobicContact CD2-CB 3.31Å; L122-P138 HydrophobicContact CD2-CG 3.34Å; L122-V142 HydrophobicContact CD1-CG1 4.17Å; L122-V142 HydrophobicContact CD2-CG1 4.41Å; L122-V142 HydrophobicContact CG-CG1 4.29Å; L122-V143 HydrophobicContact CD1-CG2 3.85Å; L122-I146 HydrophobicContact CD1-CD1 3.41Å; L122-I146 VanDerWaalsContact CD1-CD1 3.41Å; L122-I146 HydrophobicContact CG-CD1 4.17Å
123P92.3Very high91Very high65 Ų6555.7 Ų55.742%0.42232%0.319SS..Hα-helixtrans-65.1-33.1178.223.8-33.2000112.9G120 S127 F133G120-P123 WeakPolarHBondContact O-CD 3.14Å; G120-P123 WeakPolarHBondContact O-CG 3.35Å; P123-S127 WeakPolarHBondContact O-CB 3.47Å; P123-S127 PolarHBondContact O-N 3.01Å; P123-F133 VanDerWaalsContact CA-CZ 3.46Å; P123-F133 HydrophobicContact CB-CE1 4.43Å; P123-F133 HydrophobicContact CB-CE2 4.36Å; P123-F133 HydrophobicContact CB-CZ 3.72Å; P123-F133 HydrophobicContact CG-CZ 4.5Å
124R93.8Very high89.5Confident85 Ų8560.2 Ų60.232%0.32134%0.339SS..Hα-helixtrans-63.9-49.3174.2-170.4-178-176.8-174.32.6111.3G120 L121 L122 S127 L128 E176G120-R124 WeakPolarHBondContact O-CB 3.33Å; G120-R124 PolarHBondContact O-N 3.48Å; L121-R124 PolarHBondContact O-N 2.96Å; L122-R124 VanDerWaalsContact C-N 3.31Å; L122-R124 PolarHBondContact O-N 3.29Å; R124-S127 PolarHBondContact O-N 3.45Å; R124-L128 WeakPolarHBondContact O-CB 3.48Å; R124-L128 PolarHBondContact O-N 3.02Å; R124-E176 WeakPolarHBondContact CG-OE1 3.35Å; R124-E176 IonicContact CZ-OE1 3.07Å; R124-E176 IonicContact CZ-OE2 3.49Å; R124-E176 IonicContact NE-OE1 3.1Å; R124-E176 PolarHBondContact NE-OE1 3.12Å; R124-E176 IonicContact NE-OE2 3.06Å; R124-E176 IonicContact NH2-OE1 3.89Å; R124-E176 PolarHBondContact NH2-OE1 2.9Å; R124-E176 IonicContact NH2-OE2 2.79Å; R124-E176 PolarHBondContact NH2-OE2 3.29Å
125M95.4Very high87.7Confident0 Ų060 Ų600%035%0.349CS..Hα-helixtrans-65.8-39.1179.1-68.1-56.5100.300112.1A103 W104 L115 L121 L122 L128 M129 I146 I173A103-M125 HydrophobicContact CB-CE 4.01Å; W104-M125 HydrophobicContact CB-CE 4.47Å; W104-M125 HydrophobicContact CB-SD 4.27Å; W104-M125 HydrophobicContact CE3-CG 3.88Å; W104-M125 HydrophobicContact CE3-SD 3.76Å; W104-M125 HydrophobicContact CZ3-CG 4.27Å; L115-M125 HydrophobicContact CD2-CB 4.31Å; L115-M125 HydrophobicContact CD2-CG 4.14Å; L121-M125 HydrophobicContact CD1-CE 4.29Å; L121-M125 HydrophobicContact CD1-CG 3.85Å; L121-M125 HydrophobicContact CD1-SD 4.49Å; L121-M125 HydrophobicContact CG-CG 4.27Å; L121-M125 WeakPolarHBondContact O-CG 3.36Å; L121-M125 PolarHBondContact O-N 3.44Å; L122-M125 PolarHBondContact O-N 2.88Å; M125-L128 HydrophobicContact CE-CD2 4.17Å; M125-L128 PolarHBondContact O-N 3.28Å; M125-L128 HydrophobicContact SD-CD2 4.43Å; M125-M129 HydrophobicContact CB-CE 4.31Å; M125-M129 WeakPolarHBondContact O-CB 3.07Å; M125-M129 WeakPolarHBondContact O-CG 3.37Å; M125-M129 PolarHBondContact O-N 2.91Å; M125-M129 HydrophobicContact SD-CE 4.22Å; M125-I146 HydrophobicContact CB-CD1 4.23Å; M125-I146 HydrophobicContact CB-CG2 4.12Å; M125-I173 HydrophobicContact SD-CB 4.46Å; M125-I173 HydrophobicContact SD-CD1 3.97Å; M125-I173 HydrophobicContact SD-CG2 4.26Å
126A92.6Very high86.2Confident2 Ų269.7 Ų69.72%0.01739%0.394CS..Hα-helixtrans-62.6-45.617400000112.5L122 L128 M129 G130 V131 F133 I146L122-A126 WeakPolarHBondContact O-CB 3.47Å; L122-A126 PolarHBondContact O-N 3.05Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.7Å; A126-M129 CarbonylContact O-C 3.43Å; A126-M129 PolarHBondContact O-N 2.99Å; A126-G130 PolarHBondContact O-N 3.17Å; A126-V131 HydrophobicContact CB-CB 3.95Å; A126-V131 HydrophobicContact CB-CG1 4.35Å; A126-V131 WeakPolarHBondContact CB-O 3.26Å; A126-V131 PolarHBondContact O-N 2.91Å; A126-F133 HydrophobicContact CB-CD1 3.45Å; A126-F133 VanDerWaalsContact CB-CD1 3.45Å; A126-F133 HydrophobicContact CB-CE1 3.2Å; A126-F133 HydrophobicContact CB-CZ 4.4Å; A126-I146 HydrophobicContact CB-CD1 4.1Å
127S90.7Very high84.9Confident101 Ų10169.9 Ų69.971%0.70640%0.403SS*.Hα-helixtrans-61.1-42176.1-173.40000111.7P123 R124 M129 G130P123-S127 WeakPolarHBondContact O-CB 3.47Å; P123-S127 PolarHBondContact O-N 3.01Å; R124-S127 PolarHBondContact O-N 3.45Å; S127-M129 VanDerWaalsContact C-N 3.32Å; S127-M129 PolarHBondContact O-N 3.21Å; S127-G130 PolarHBondContact O-N 3.08Å
128L91.6Very high83.6Confident12 Ų1265.9 Ų65.96%0.06339%0.388CS..Hα-helixtrans-64-37.2178.5-173.763.3000112.2R124 M125 A126 Y153 I173 E176R124-L128 WeakPolarHBondContact O-CB 3.48Å; R124-L128 PolarHBondContact O-N 3.02Å; M125-L128 HydrophobicContact CE-CD2 4.17Å; M125-L128 PolarHBondContact O-N 3.28Å; M125-L128 HydrophobicContact SD-CD2 4.43Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.7Å; L128-Y153 PolarHBondContact O-OH 3.02Å; L128-I173 HydrophobicContact CD2-CG2 3.56Å; L128-E176 HydrophobicContact CD1-CG 4.32Å
129M91.7Very high82.6Confident7 Ų764.8 Ų64.83%0.03439%0.387CS..THydrogen-bonded Turntrans-95.17.9-176.1-60.2-178.8-165.700114.1M125 A126 S127 V131 I146 R149 M150 Y153 I173M125-M129 HydrophobicContact CB-CE 4.31Å; M125-M129 WeakPolarHBondContact O-CB 3.07Å; M125-M129 WeakPolarHBondContact O-CG 3.37Å; M125-M129 PolarHBondContact O-N 2.91Å; M125-M129 HydrophobicContact SD-CE 4.22Å; A126-M129 CarbonylContact O-C 3.43Å; A126-M129 PolarHBondContact O-N 2.99Å; S127-M129 VanDerWaalsContact C-N 3.32Å; S127-M129 PolarHBondContact O-N 3.21Å; M129-V131 VanDerWaalsContact C-N 3.32Å; M129-V131 HydrophobicContact CB-CG2 4.27Å; M129-V131 PolarHBondContact O-N 3.18Å; M129-I146 HydrophobicContact CE-CG2 4.06Å; M129-I146 HydrophobicContact SD-CB 4.33Å; M129-I146 HydrophobicContact SD-CG1 4.4Å; M129-I146 HydrophobicContact SD-CG2 3.89Å; M129-R149 HydrophobicContact CB-CB 4.49Å; M129-R149 PolarHBondContact O-NH1 2.94Å; M129-R149 HydrophobicContact SD-CB 4.05Å; M129-M150 HydrophobicContact CE-CB 3.66Å; M129-M150 HydrophobicContact SD-CB 4.26Å; M129-Y153 HydrophobicContact CB-CE2 4.2Å; M129-Y153 HydrophobicContact CE-CD2 4.32Å; M129-Y153 HydrophobicContact CG-CD2 3.89Å; M129-Y153 HydrophobicContact CG-CE2 3.65Å; M129-Y153 HydrophobicContact SD-CD2 4.42Å; M129-I173 HydrophobicContact CE-CD1 3.47Å; M129-I173 VanDerWaalsContact CE-CD1 3.47Å
130G87.8Confident81.5Confident50 Ų5064.9 Ų64.952%0.51539%0.387SS..THydrogen-bonded Turntrans59.441.3-178.500000112.9A126 S127 R149A126-G130 PolarHBondContact O-N 3.17Å; S127-G130 PolarHBondContact O-N 3.08Å; G130-R149 PolarHBondContact O-NH1 3.19Å
131V87.7Confident81.1Confident12 Ų1267.4 Ų67.47%0.07339%0.39CS..  trans-101.3106.6172.9177.20000107.6A126 M129 F133 V142 L145A126-V131 HydrophobicContact CB-CB 3.95Å; A126-V131 HydrophobicContact CB-CG1 4.35Å; A126-V131 WeakPolarHBondContact CB-O 3.26Å; A126-V131 PolarHBondContact O-N 2.91Å; M129-V131 VanDerWaalsContact C-N 3.32Å; M129-V131 HydrophobicContact CB-CG2 4.27Å; M129-V131 PolarHBondContact O-N 3.18Å; V131-F133 PolarHBondContact O-N 2.7Å; V131-V142 HydrophobicContact CG1-CG1 4.19Å; V131-V142 HydrophobicContact CG1-CG2 4.48Å; V131-L145 HydrophobicContact CB-CD2 4.37Å; V131-L145 HydrophobicContact CG1-CD2 3.74Å; V131-L145 HydrophobicContact CG1-CG 4.5Å; V131-L145 HydrophobicContact CG2-CD2 3.78Å; V131-L145 HydrophobicContact CG2-CG 3.94Å
132D78.1Confident80.9Confident141 Ų14167.1 Ų67.175%0.75439%0.389SS*.  trans-75.8113.7-179.3-65.9-35.8000110.5
133F73.2Confident80.9Confident35 Ų3567.1 Ų67.115%0.15439%0.389CS..  trans-141.4130161.981.1-98.1000110.1L122 P123 A126 V131 P138 V142L122-F133 HydrophobicContact CD2-CE1 4.4Å; L122-F133 HydrophobicContact CD2-CZ 4.05Å; L122-F133 HydrophobicContact CG-CE1 4.09Å; L122-F133 HydrophobicContact CG-CZ 4Å; P123-F133 VanDerWaalsContact CA-CZ 3.46Å; P123-F133 HydrophobicContact CB-CE1 4.43Å; P123-F133 HydrophobicContact CB-CE2 4.36Å; P123-F133 HydrophobicContact CB-CZ 3.72Å; P123-F133 HydrophobicContact CG-CZ 4.5Å; A126-F133 HydrophobicContact CB-CD1 3.45Å; A126-F133 VanDerWaalsContact CB-CD1 3.45Å; A126-F133 HydrophobicContact CB-CE1 3.2Å; A126-F133 HydrophobicContact CB-CZ 4.4Å; V131-F133 PolarHBondContact O-N 2.7Å; F133-P138 HydrophobicContact CD2-CB 4.42Å; F133-P138 HydrophobicContact CE2-CB 4.23Å; F133-P138 HydrophobicContact CZ-CB 4.49Å; F133-V142 HydrophobicContact CB-CG2 4.03Å; F133-V142 HydrophobicContact CD1-CG1 3.58Å; F133-V142 HydrophobicContact CD1-CG2 4.15Å; F133-V142 HydrophobicContact CE1-CG1 3.72Å; F133-V142 HydrophobicContact CG-CG1 4.39Å; F133-V142 HydrophobicContact CG-CG2 4.25Å
134H62.4Low80.8Confident182 Ų18267.9 Ų67.984%0.84339%0.387SS*.  trans-119.320.7-171.6-62.8-55.1000113.2
135G58.6Low80.8Confident41 Ų4166 Ų6642%0.42338%0.383SS..SBendtrans-108.1155.4-178.700000113.9V137G135-V137 PolarHBondContact O-N 3.12Å
136E62.2Low80.8Confident206 Ų20666 Ų6696%0.96338%0.383SS*.SBendtrans-65.9-25.3170.6-67.1-178.1173.300112.4
137V63.8Low80.9Confident122 Ų12267.4 Ų67.474%0.73939%0.39SS*.SBendtrans-112.6117.9172.3-176.60000108G135G135-V137 PolarHBondContact O-N 3.12Å
138P66.6Low81Confident45 Ų4568 Ų6829%0.29238%0.382SS..  trans-65.1138.1176.328.4-35.1000110L122 F133 V142L122-P138 HydrophobicContact CD2-CB 3.31Å; L122-P138 HydrophobicContact CD2-CG 3.34Å; F133-P138 HydrophobicContact CD2-CB 4.42Å; F133-P138 HydrophobicContact CE2-CB 4.23Å; F133-P138 HydrophobicContact CZ-CB 4.49Å; P138-V142 HydrophobicContact CB-CB 4.4Å
139P73.9Confident81.2Confident58 Ų5872 Ų7238%0.37740%0.396SS..  trans-51.5147166.8-26.333.5000111.5D141 V142P139-D141 WeakPolarHBondContact CB-OD1 3.47Å; P139-D141 PolarHBondContact O-N 2.8Å; P139-V142 HydrophobicContact CB-CG2 4.05Å; P139-V142 HydrophobicContact CG-CG2 4.08Å; P139-V142 PolarHBondContact O-N 3.48Å; P139-V142 VanDerWaalsContact O-N 3.11Å
140P68.4Low81.4Confident127 Ų12771.8 Ų71.883%0.82540%0.395SS*.THydrogen-bonded Turntrans-62.1-16.1-173.423.8-33.2000114.1
141D84.9Confident81.8Confident100 Ų10069.6 Ų69.654%0.53537%0.371SS..THydrogen-bonded Turntrans-94.7-12.4-179.460.6-29.2000114.3P139 V143 E144 L145P139-D141 WeakPolarHBondContact CB-OD1 3.47Å; P139-D141 PolarHBondContact O-N 2.8Å; D141-V143 VanDerWaalsContact C-N 3.33Å; D141-V143 PolarHBondContact O-N 2.9Å; D141-E144 PolarHBondContact O-N 3.13Å; D141-L145 WeakPolarHBondContact O-CB 3.46Å; D141-L145 PolarHBondContact O-N 3.22Å
142V90.4Very high82.1Confident7 Ų773 Ų734%0.04238%0.384CS..Hα-helixtrans-62.3-41.4-179.31710000111.6L122 V131 F133 P138 P139 L145 I146L122-V142 HydrophobicContact CD1-CG1 4.17Å; L122-V142 HydrophobicContact CD2-CG1 4.41Å; L122-V142 HydrophobicContact CG-CG1 4.29Å; V131-V142 HydrophobicContact CG1-CG1 4.19Å; V131-V142 HydrophobicContact CG1-CG2 4.48Å; F133-V142 HydrophobicContact CB-CG2 4.03Å; F133-V142 HydrophobicContact CD1-CG1 3.58Å; F133-V142 HydrophobicContact CD1-CG2 4.15Å; F133-V142 HydrophobicContact CE1-CG1 3.72Å; F133-V142 HydrophobicContact CG-CG1 4.39Å; F133-V142 HydrophobicContact CG-CG2 4.25Å; P138-V142 HydrophobicContact CB-CB 4.4Å; P139-V142 HydrophobicContact CB-CG2 4.05Å; P139-V142 HydrophobicContact CG-CG2 4.08Å; P139-V142 PolarHBondContact O-N 3.48Å; P139-V142 VanDerWaalsContact O-N 3.11Å; V142-L145 PolarHBondContact O-N 3.05Å; V142-I146 HydrophobicContact CG1-CD1 3.82Å; V142-I146 HydrophobicContact CG1-CG1 4.47Å; V142-I146 WeakPolarHBondContact O-CG1 3.1Å; V142-I146 PolarHBondContact O-N 3.42Å
143V92.1Very high83Confident11 Ų1168.5 Ų68.57%0.06736%0.358CS..Hα-helixtrans-61-47177.7176.80000110.2R112 L115 E116 L122 D141 L145 I146 L147R112-V143 HydrophobicContact CG-CG1 4.1Å; L115-V143 HydrophobicContact CB-CG1 4.47Å; L115-V143 HydrophobicContact CD1-CG1 4.16Å; E116-V143 HydrophobicContact CG-CG2 4.27Å; L122-V143 HydrophobicContact CD1-CG2 3.85Å; D141-V143 VanDerWaalsContact C-N 3.33Å; D141-V143 PolarHBondContact O-N 2.9Å; V143-L145 VanDerWaalsContact C-N 3.33Å; V143-L145 PolarHBondContact O-N 3.19Å; V143-I146 PolarHBondContact O-N 3.26Å; V143-L147 HydrophobicContact CG1-CD1 3.93Å; V143-L147 HydrophobicContact CG1-CG 4.38Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 3.3Å
144E91.8Very high84.1Confident81 Ų8166.9 Ų66.938%0.37935%0.35SS..Hα-helixtrans-59.8-43.9176.7-61.4-55.7148.300111.9R112 D141 I146 L147 E148R112-E144 IonicContact CZ-OE1 2.75Å; R112-E144 IonicContact NH1-OE1 3.17Å; R112-E144 PolarHBondContact NH1-OE1 3Å; R112-E144 VanDerWaalsContact NH2-CD 3.33Å; R112-E144 IonicContact NH2-OE1 2.63Å; R112-E144 PolarHBondContact NH2-OE1 3.39Å; R112-E144 IonicContact NH2-OE2 2.75Å; R112-E144 PolarHBondContact NH2-OE2 2.97Å; D141-E144 PolarHBondContact O-N 3.13Å; E144-I146 VanDerWaalsContact C-N 3.33Å; E144-I146 PolarHBondContact O-N 2.82Å; E144-L147 PolarHBondContact O-N 3.01Å; E144-E148 WeakPolarHBondContact O-CB 3.38Å; E144-E148 PolarHBondContact O-N 3Å
145L93.1Very high85.6Confident46 Ų4659.5 Ų59.524%0.24132%0.316CS..Hα-helixtrans-65.8-36.2-179.3-172.459.8000112.2V131 D141 V142 V143 E148 R149V131-L145 HydrophobicContact CB-CD2 4.37Å; V131-L145 HydrophobicContact CG1-CD2 3.74Å; V131-L145 HydrophobicContact CG1-CG 4.5Å; V131-L145 HydrophobicContact CG2-CD2 3.78Å; V131-L145 HydrophobicContact CG2-CG 3.94Å; D141-L145 WeakPolarHBondContact O-CB 3.46Å; D141-L145 PolarHBondContact O-N 3.22Å; V142-L145 PolarHBondContact O-N 3.05Å; V143-L145 VanDerWaalsContact C-N 3.33Å; V143-L145 PolarHBondContact O-N 3.19Å; L145-E148 PolarHBondContact O-N 3.18Å; L145-R149 HydrophobicContact CD1-CG 4.34Å; L145-R149 WeakPolarHBondContact O-CB 3.29Å; L145-R149 VanDerWaalsContact O-CG 3.29Å; L145-R149 WeakPolarHBondContact O-CG 3.44Å; L145-R149 PolarHBondContact O-N 3.15Å
146I94.7Very high87.3Confident0 Ų058.5 Ų58.50%030%0.302CS..Hα-helixtrans-66.8-48.8172.9-72166.3000110.2L115 L122 M125 A126 M129 V142 V143 E144 E148 R149 M150L115-I146 HydrophobicContact CD1-CB 4.36Å; L115-I146 HydrophobicContact CD1-CG2 3.76Å; L115-I146 HydrophobicContact CD2-CG2 4Å; L122-I146 HydrophobicContact CD1-CD1 3.41Å; L122-I146 VanDerWaalsContact CD1-CD1 3.41Å; L122-I146 HydrophobicContact CG-CD1 4.17Å; M125-I146 HydrophobicContact CB-CD1 4.23Å; M125-I146 HydrophobicContact CB-CG2 4.12Å; A126-I146 HydrophobicContact CB-CD1 4.1Å; M129-I146 HydrophobicContact CE-CG2 4.06Å; M129-I146 HydrophobicContact SD-CB 4.33Å; M129-I146 HydrophobicContact SD-CG1 4.4Å; M129-I146 HydrophobicContact SD-CG2 3.89Å; V142-I146 HydrophobicContact CG1-CD1 3.82Å; V142-I146 HydrophobicContact CG1-CG1 4.47Å; V142-I146 WeakPolarHBondContact O-CG1 3.1Å; V142-I146 PolarHBondContact O-N 3.42Å; V143-I146 PolarHBondContact O-N 3.26Å; E144-I146 VanDerWaalsContact C-N 3.33Å; E144-I146 PolarHBondContact O-N 2.82Å; I146-E148 PolarHBondContact O-N 3.37Å; I146-R149 PolarHBondContact O-N 2.88Å; I146-R149 VanDerWaalsContact O-N 3.13Å; I146-M150 VanDerWaalsContact O-CB 3.28Å; I146-M150 WeakPolarHBondContact O-CB 3.4Å; I146-M150 PolarHBondContact O-N 3.37Å
147L94.8Very high88.6Confident31 Ų3150.8 Ų50.816%0.16226%0.264CS..Hα-helixtrans-60.8-28.8177.9-68.3174000112.4A111 R112 L115 V143 E144 M150 W151A111-L147 HydrophobicContact CB-CD2 3.82Å; R112-L147 HydrophobicContact CB-CD1 4.14Å; L115-L147 HydrophobicContact CD1-CD2 3.8Å; L115-L147 HydrophobicContact CD1-CG 4.01Å; V143-L147 HydrophobicContact CG1-CD1 3.93Å; V143-L147 HydrophobicContact CG1-CG 4.38Å; V143-L147 VanDerWaalsContact O-CG 3.29Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 3.3Å; E144-L147 PolarHBondContact O-N 3.01Å; L147-M150 HydrophobicContact CD2-SD 3.93Å; L147-M150 WeakPolarHBondContact O-CG 3.41Å; L147-W151 PolarHBondContact O-NE1 3.18Å; L147-W151 VanDerWaalsContact O-NE1 3.16Å
148E93.9Very high89.7Confident114 Ų11449 Ų4953%0.53325%0.248SC..Hα-helixtrans-73.4-47.9172.3-171.7-176.7-176.100112E144 L145 I146 N414E144-E148 WeakPolarHBondContact O-CB 3.38Å; E144-E148 PolarHBondContact O-N 3Å; L145-E148 PolarHBondContact O-N 3.18Å; I146-E148 PolarHBondContact O-N 3.37Å; E148-N414 PolarHBondContact O-ND2 3.29Å
149R95Very high90.2Very high96 Ų9650.1 Ų50.136%0.36225%0.251SS..Hα-helixtrans-81.1-23.1-173-70.6-179.1-177.1-168.36.3114.5M129 G130 L145 I146 W151 K152M129-R149 HydrophobicContact CB-CB 4.49Å; M129-R149 PolarHBondContact O-NH1 2.94Å; M129-R149 HydrophobicContact SD-CB 4.05Å; G130-R149 PolarHBondContact O-NH1 3.19Å; L145-R149 HydrophobicContact CD1-CG 4.34Å; L145-R149 WeakPolarHBondContact O-CB 3.29Å; L145-R149 VanDerWaalsContact O-CG 3.29Å; L145-R149 WeakPolarHBondContact O-CG 3.44Å; L145-R149 PolarHBondContact O-N 3.15Å; I146-R149 PolarHBondContact O-N 2.88Å; I146-R149 VanDerWaalsContact O-N 3.13Å; R149-W151 PolarHBondContact O-N 3.43Å; R149-K152 PolarHBondContact O-N 3.41Å
150M96.1Very high90.1Very high2 Ų252.3 Ų52.31%0.0127%0.268CS..G310 helixtrans-57.4-25.2-17267.7-178.7-36.400114.3W104 Y106 M129 I146 L147 K152 Y153 N154 I173W104-M150 HydrophobicContact CE3-CE 4.1Å; W104-M150 HydrophobicContact CH2-CE 3.61Å; W104-M150 HydrophobicContact CZ3-CE 3.29Å; Y106-M150 HydrophobicContact CE1-CE 3.68Å; Y106-M150 HydrophobicContact CE2-CE 3.9Å; Y106-M150 WeakPolarHBondContact OH-CE 3.41Å; M129-M150 HydrophobicContact CE-CB 3.66Å; M129-M150 HydrophobicContact SD-CB 4.26Å; I146-M150 VanDerWaalsContact O-CB 3.28Å; I146-M150 WeakPolarHBondContact O-CB 3.4Å; I146-M150 PolarHBondContact O-N 3.37Å; L147-M150 HydrophobicContact CD2-SD 3.93Å; L147-M150 WeakPolarHBondContact O-CG 3.41Å; M150-K152 PolarHBondContact O-N 3.23Å; M150-K152 VanDerWaalsContact O-N 3.1Å; M150-Y153 PolarHBondContact O-N 2.87Å; M150-N154 PolarHBondContact O-N 2.82Å; M150-I173 HydrophobicContact CB-CD1 4.06Å; M150-I173 HydrophobicContact CE-CD1 4.18Å
151W95.9Very high90.1Very high5 Ų553.3 Ų53.32%0.01926%0.262CS..G310 helixtrans-67.1-12.3-176.3-62.499.5000114.5V108 L147 R149 N154 W171 D416 Y417 R420V108-W151 HydrophobicContact CG2-CH2 4.19Å; L147-W151 PolarHBondContact O-NE1 3.18Å; L147-W151 VanDerWaalsContact O-NE1 3.16Å; R149-W151 PolarHBondContact O-N 3.43Å; W151-N154 HydrophobicContact CE3-CB 4.3Å; W151-N154 WeakPolarHBondContact CZ3-ND2 3.3Å; W151-W171 HydrophobicContact CE3-CZ3 4.35Å; W151-W171 HydrophobicContact CH2-CD2 4.36Å; W151-W171 AromaticContact CZ3-CD2 3.99Å; W151-W171 HydrophobicContact CZ3-CD2 3.99Å; W151-W171 AromaticContact CZ3-CE3 3.86Å; W151-W171 HydrophobicContact CZ3-CE3 3.86Å; W151-W171 AromaticContact CZ3-CH2 3.83Å; W151-W171 HydrophobicContact CZ3-CH2 3.83Å; W151-W171 AromaticContact CZ3-CZ2 3.96Å; W151-W171 HydrophobicContact CZ3-CZ2 3.96Å; W151-W171 AromaticContact CZ3-CZ3 3.78Å; W151-W171 HydrophobicContact CZ3-CZ3 3.78Å; W151-D416 HydrophobicContact CB-CB 4Å; W151-Y417 AromaticContact CD1-CG 3.99Å; W151-Y417 HydrophobicContact CD2-CD1 4.48Å; W151-Y417 AromaticContact CD2-CD2 3.57Å; W151-Y417 HydrophobicContact CD2-CD2 3.57Å; W151-Y417 HydrophobicContact CD2-CE2 4.35Å; W151-Y417 AromaticContact CD2-CG 3.68Å; W151-Y417 HydrophobicContact CD2-CG 3.68Å; W151-Y417 AromaticContact CE2-CD1 3.63Å; W151-Y417 AromaticContact CE2-CD2 3.26Å; W151-Y417 AromaticContact CE2-CE2 3.72Å; W151-Y417 AromaticContact CE2-CG 3.24Å; W151-Y417 AromaticContact CE3-CD2 3.7Å; W151-Y417 HydrophobicContact CE3-CD2 3.7Å; W151-Y417 HydrophobicContact CE3-CE2 4.33Å; W151-Y417 HydrophobicContact CE3-CG 4.28Å; W151-Y417 HydrophobicContact CG-CD2 4.47Å; W151-Y417 HydrophobicContact CG-CG 4.16Å; W151-Y417 AromaticContact CH2-CD2 3.29Å; W151-Y417 HydrophobicContact CH2-CD2 3.29Å; W151-Y417 HydrophobicContact CH2-CE1 4.49Å; W151-Y417 AromaticContact CH2-CE2 3.06Å; W151-Y417 HydrophobicContact CH2-CE2 3.06Å; W151-Y417 HydrophobicContact CH2-CG 4.15Å; W151-Y417 AromaticContact CH2-CZ 3.72Å; W151-Y417 AromaticContact CZ2-CD1 3.77Å; W151-Y417 HydrophobicContact CZ2-CD1 3.77Å; W151-Y417 AromaticContact CZ2-CD2 3.14Å; W151-Y417 HydrophobicContact CZ2-CD2 3.14Å; W151-Y417 AromaticContact CZ2-CE1 3.67Å; W151-Y417 HydrophobicContact CZ2-CE1 3.67Å; W151-Y417 AromaticContact CZ2-CE2 3.05Å; W151-Y417 HydrophobicContact CZ2-CE2 3.05Å; W151-Y417 AromaticContact CZ2-CG 3.54Å; W151-Y417 HydrophobicContact CZ2-CG 3.54Å; W151-Y417 AromaticContact CZ2-CZ 3.31Å; W151-Y417 AromaticContact CZ3-CD2 3.55Å; W151-Y417 HydrophobicContact CZ3-CD2 3.55Å; W151-Y417 AromaticContact CZ3-CE2 3.74Å; W151-Y417 HydrophobicContact CZ3-CE2 3.74Å; W151-Y417 HydrophobicContact CZ3-CG 4.48Å; W151-Y417 AromaticContact NE1-CD1 3.53Å; W151-Y417 AromaticContact NE1-CD2 3.97Å; W151-Y417 AromaticContact NE1-CG 3.44Å; W151-R420 HydrophobicContact CB-CG 4.46Å; W151-R420 HydrophobicContact CE3-CB 3.93Å; W151-R420 HydrophobicContact CE3-CG 4.38Å; W151-R420 HydrophobicContact CZ3-CB 4.48Å
152K94.5Very high89.3Confident82 Ų8250.3 Ų50.336%0.35725%0.254SS..G310 helixtrans-82.1-15169.4-57.8-168.7-178.8-152.70113.8R149 M150 P238 W239 D416R149-K152 PolarHBondContact O-N 3.41Å; M150-K152 PolarHBondContact O-N 3.23Å; M150-K152 VanDerWaalsContact O-N 3.1Å; K152-P238 WeakPolarHBondContact CD-O 3.36Å; K152-P238 WeakPolarHBondContact CE-O 3.35Å; K152-P238 PolarHBondContact NZ-O 3.25Å; K152-P238 VanDerWaalsContact NZ-O 3.11Å; K152-W239 WeakPolarHBondContact O-CZ2 3.31Å; K152-W239 PolarHBondContact O-NE1 3.44Å; K152-D416 WeakPolarHBondContact CE-OD2 3.48Å
153Y96Very high88.5Confident48 Ų4852.6 Ų52.619%0.18827%0.27CS..THydrogen-bonded Turntrans-113.5-33.9-174.1-62-84.4000112.1L128 M129 M150L128-Y153 PolarHBondContact O-OH 3.02Å; M129-Y153 HydrophobicContact CB-CE2 4.2Å; M129-Y153 HydrophobicContact CE-CD2 4.32Å; M129-Y153 HydrophobicContact CG-CD2 3.89Å; M129-Y153 HydrophobicContact CG-CE2 3.65Å; M129-Y153 HydrophobicContact SD-CD2 4.42Å; M150-Y153 PolarHBondContact O-N 2.87Å
154N96.4Very high87.5Confident0 Ų054.4 Ų54.40%029%0.286CS..  trans-48.5145.2178.4-84.3-16.7000112.2Y106 M150 W151 W171 Y172 I173 R420Y106-N154 VanDerWaalsContact OH-CG 3.23Å; Y106-N154 PolarHBondContact OH-ND2 3.13Å; Y106-N154 PolarHBondContact OH-OD1 3.32Å; Y106-N154 VanDerWaalsContact OH-OD1 3.05Å; M150-N154 PolarHBondContact O-N 2.82Å; W151-N154 HydrophobicContact CE3-CB 4.3Å; W151-N154 WeakPolarHBondContact CZ3-ND2 3.3Å; N154-W171 HydrophobicContact CB-CE3 3.82Å; N154-W171 HydrophobicContact CB-CZ3 4.17Å; N154-Y172 CarbonylContact C-O 3.58Å; N154-Y172 WeakPolarHBondContact CA-O 3.48Å; N154-I173 WeakPolarHBondContact OD1-CG1 3.21Å; N154-R420 VanDerWaalsContact O-CZ 3.32Å; N154-R420 PolarHBondContact O-NH2 2.9Å
155Q95Very high86.6Confident27 Ų2754.9 Ų54.913%0.12629%0.288CS..EExtended strand (participates in β ladder)trans-136169.2164.9-57.4-52.1-25.500107.7W171 Y172Q155-W171 CarbonylContact O-C 3.58Å; Q155-W171 WeakPolarHBondContact O-CA 3.11Å; Q155-Y172 HydrophobicContact CB-CD1 3.99Å; Q155-Y172 HydrophobicContact CB-CD2 4.19Å; Q155-Y172 HydrophobicContact CB-CE1 3.41Å; Q155-Y172 VanDerWaalsContact CB-CE1 3.41Å; Q155-Y172 HydrophobicContact CB-CE2 3.65Å; Q155-Y172 HydrophobicContact CB-CG 4.36Å; Q155-Y172 WeakPolarHBondContact CB-OH 3.25Å; Q155-Y172 HydrophobicContact CG-CE2 4.09Å; Q155-Y172 PolarHBondContact N-O 2.78Å; Q155-Y172 WeakPolarHBondContact O-CD1 3.47Å; Q155-Y172 PolarHBondContact O-N 2.9Å
156T94Very high85.9Confident21 Ų2157.6 Ų57.613%0.12930%0.3CS..EExtended strand (participates in β ladder)trans-143.9153.6-177.8-170.40000112.6V170 W171 E423T156-V170 WeakPolarHBondContact CA-O 3.25Å; T156-V170 WeakPolarHBondContact CB-O 3.38Å; T156-V170 PolarHBondContact OG1-O 2.8Å; T156-W171 HydrophobicContact CG2-CE3 4.48Å; T156-W171 HydrophobicContact CG2-CH2 4.11Å; T156-W171 HydrophobicContact CG2-CZ2 4.48Å; T156-W171 HydrophobicContact CG2-CZ3 4.11Å; T156-E423 HydrophobicContact CG2-CB 4Å; T156-E423 WeakPolarHBondContact CG2-O 3.33Å
157Y90.1Very high85.2Confident43 Ų4361.7 Ų61.717%0.16932%0.318CS..EExtended strand (participates in β ladder)trans-141.1165.3165.261.9-95.6000109.6L159 V170 Y172 A202Y157-L159 HydrophobicContact CE2-CD2 4.36Å; Y157-V170 HydrophobicContact CD2-CB 4.24Å; Y157-V170 HydrophobicContact CE1-CB 4.32Å; Y157-V170 HydrophobicContact CE1-CG1 4.05Å; Y157-V170 HydrophobicContact CE2-CB 3.79Å; Y157-V170 HydrophobicContact CE2-CG1 4.1Å; Y157-V170 HydrophobicContact CE2-CG2 4.13Å; Y157-V170 PolarHBondContact N-O 3.45Å; Y157-V170 VanDerWaalsContact N-O 3.07Å; Y157-V170 PolarHBondContact O-N 3.06Å; Y157-Y172 AromaticContact CD1-CD1 3.67Å; Y157-Y172 HydrophobicContact CD1-CD1 3.67Å; Y157-Y172 AromaticContact CD1-CE1 3.72Å; Y157-Y172 HydrophobicContact CD1-CE1 3.72Å; Y157-Y172 AromaticContact CE1-CD1 3.84Å; Y157-Y172 HydrophobicContact CE1-CD1 3.84Å; Y157-Y172 HydrophobicContact CE1-CE1 4.28Å; Y157-A202 HydrophobicContact CE1-CB 4.06Å
158Q85.9Confident84.6Confident86 Ų8661 Ų6140%0.40232%0.317SS..  trans-126.9143.9173.5-73.11721000109.3P169 S424Q158-P169 HydrophobicContact CG-CB 4.34Å; Q158-P169 HydrophobicContact CG-CG 4.48Å; Q158-S424 VanDerWaalsContact NE2-C 3.31Å
159L78.2Confident84.4Confident68 Ų6855.9 Ų55.936%0.35629%0.293SS..  trans-77.5137.2170.8-60.5177.3000109Y157 Q161Y157-L159 HydrophobicContact CE2-CD2 4.36Å; L159-Q161 VanDerWaalsContact C-N 3.33Å
160S71.7Confident84.2Confident103 Ų10352 Ų5272%0.7228%0.28SS*.SBendtrans-78.7-17.7-17756.70000113.5K167S160-K167 WeakPolarHBondContact O-CE 3.37Å
161Q67.6Low84.2Confident149 Ų14952 Ų5270%0.69628%0.28SS*.SBendtrans-119.7159.6-176.8-62-62-20.700111.1L159L159-Q161 VanDerWaalsContact C-N 3.33Å
162G68Low84.3Confident36 Ų3652 Ų5237%0.37128%0.28SS..SBendtrans109.9-178.3177.600000115.2E166 K167G162-E166 WeakPolarHBondContact CA-OE2 3.34Å; G162-K167 WeakPolarHBondContact O-CE 3.45Å
163S73.1Confident84.5Confident56 Ų5648 Ų4839%0.39226%0.263SS..  trans-64.4167.7174.278.20000111.8E165 E166 K167S163-E165 PolarHBondContact O-N 3.35Å; S163-E165 PolarHBondContact OG-N 3.29Å; S163-E166 PolarHBondContact N-OE2 2.94Å; S163-E166 PolarHBondContact O-N 3.01Å; S163-E166 WeakPolarHBondContact OG-CG 3.32Å; S163-E166 PolarHBondContact OG-N 3.25Å; S163-K167 WeakPolarHBondContact O-CB 3.5Å; S163-K167 WeakPolarHBondContact O-CG 3.24Å; S163-K167 PolarHBondContact O-N 2.85Å
164A70.8Confident84.5Confident49 Ų4945.8 Ų45.841%0.40525%0.254SS..THydrogen-bonded Turntrans-59.7-30.917600000112.8A168 L403A164-A168 PolarHBondContact O-N 2.97Å; A164-L403 HydrophobicContact CB-CD2 4.5Å
165E74.5Confident84.5Confident90 Ų9047 Ų4742%0.42126%0.26SS..THydrogen-bonded Turntrans-73.2-40.6176.5-72.3161.3-151.200111.2R107 S163 K167 A168 R405 L407R107-E165 PolarHBondContact NH2-O 3.12Å; S163-E165 PolarHBondContact O-N 3.35Å; S163-E165 PolarHBondContact OG-N 3.29Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 3.2Å; E165-A168 VanDerWaalsContact O-CB 3.25Å; E165-A168 WeakPolarHBondContact O-CB 3.38Å; E165-A168 PolarHBondContact O-N 2.92Å; E165-R405 IonicContact OE1-CZ 3.62Å; E165-R405 IonicContact OE1-NH1 3.12Å; E165-R405 PolarHBondContact OE1-NH1 2.88Å; E165-R405 IonicContact OE1-NH2 3.59Å; E165-R405 PolarHBondContact OE1-NH2 3.49Å; E165-L407 HydrophobicContact CG-CD1 3.88Å; E165-L407 HydrophobicContact CG-CD2 3.69Å; E165-L407 HydrophobicContact CG-CG 4.47Å
166E76.6Confident84.4Confident103 Ų10349.5 Ų49.548%0.48127%0.272SS..THydrogen-bonded Turntrans-66.6-38.6176.9-70.4168.916400111.8R107 G162 S163 A168R107-E166 PolarHBondContact NH2-O 3.41Å; G162-E166 WeakPolarHBondContact CA-OE2 3.34Å; S163-E166 PolarHBondContact N-OE2 2.94Å; S163-E166 PolarHBondContact O-N 3.01Å; S163-E166 WeakPolarHBondContact OG-CG 3.32Å; S163-E166 PolarHBondContact OG-N 3.25Å; E166-A168 PolarHBondContact O-N 3.02Å
167K80Confident84.5Confident87 Ų8749.7 Ų49.738%0.37827%0.271SS..THydrogen-bonded Turntrans-72.6-6.7176.2-70.1178.6173.1173.40114.1S160 G162 S163 E165S160-K167 WeakPolarHBondContact O-CE 3.37Å; G162-K167 WeakPolarHBondContact O-CE 3.45Å; S163-K167 WeakPolarHBondContact O-CB 3.5Å; S163-K167 WeakPolarHBondContact O-CG 3.24Å; S163-K167 PolarHBondContact O-N 2.85Å; E165-K167 VanDerWaalsContact C-N 3.34Å; E165-K167 PolarHBondContact O-N 3.2Å
168A83.8Confident84.8Confident16 Ų1647.6 Ų47.613%0.13226%0.263CS..SBendtrans-58.8147176.800000110.3R107 A164 E165 E166 V170R107-A168 PolarHBondContact NH1-O 2.88Å; A164-A168 PolarHBondContact O-N 2.97Å; E165-A168 VanDerWaalsContact O-CB 3.25Å; E165-A168 WeakPolarHBondContact O-CB 3.38Å; E165-A168 PolarHBondContact O-N 2.92Å; E166-A168 PolarHBondContact O-N 3.02Å; A168-V170 PolarHBondContact O-N 2.81Å
169P89Confident85.2Confident6 Ų643.8 Ų43.84%0.03925%0.246CC..PPolyproline II helixtrans-58134-174.5-18.729.3000111.9Q158 D408Q158-P169 HydrophobicContact CG-CB 4.34Å; Q158-P169 HydrophobicContact CG-CG 4.48Å; P169-D408 WeakPolarHBondContact CD-OD2 3.4Å; P169-D408 WeakPolarHBondContact CG-OD2 3.48Å
170V91.9Very high86Confident15 Ų1542 Ų429%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-97.7129.7168.1-179.80000107.4T105 T156 Y157 A168T105-V170 HydrophobicContact CG2-CG1 3.36Å; T156-V170 WeakPolarHBondContact CA-O 3.25Å; T156-V170 WeakPolarHBondContact CB-O 3.38Å; T156-V170 PolarHBondContact OG1-O 2.8Å; Y157-V170 HydrophobicContact CD2-CB 4.24Å; Y157-V170 HydrophobicContact CE1-CB 4.32Å; Y157-V170 HydrophobicContact CE1-CG1 4.05Å; Y157-V170 HydrophobicContact CE2-CB 3.79Å; Y157-V170 HydrophobicContact CE2-CG1 4.1Å; Y157-V170 HydrophobicContact CE2-CG2 4.13Å; Y157-V170 PolarHBondContact N-O 3.45Å; Y157-V170 VanDerWaalsContact N-O 3.07Å; Y157-V170 PolarHBondContact O-N 3.06Å; A168-V170 PolarHBondContact O-N 2.81Å
171W95.9Very high87.2Confident1 Ų137 Ų370%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-103.8146.7177.5-68.487.9000109.7T105 Y106 V108 W151 N154 Q155 T156 R420T105-W171 CarbonylContact C-O 3.58Å; T105-W171 WeakPolarHBondContact CA-O 3.43Å; Y106-W171 HydrophobicContact CD1-CB 4.27Å; Y106-W171 WeakPolarHBondContact CD1-O 3.38Å; Y106-W171 HydrophobicContact CE1-CB 3.67Å; Y106-W171 HydrophobicContact CE2-CB 4.03Å; Y106-W171 VanDerWaalsContact CZ-CB 3.49Å; Y106-W171 PolarHBondContact N-O 2.84Å; Y106-W171 PolarHBondContact O-N 2.89Å; V108-W171 HydrophobicContact CG2-CG 4.38Å; W151-W171 HydrophobicContact CE3-CZ3 4.35Å; W151-W171 HydrophobicContact CH2-CD2 4.36Å; W151-W171 AromaticContact CZ3-CD2 3.99Å; W151-W171 HydrophobicContact CZ3-CD2 3.99Å; W151-W171 AromaticContact CZ3-CE3 3.86Å; W151-W171 HydrophobicContact CZ3-CE3 3.86Å; W151-W171 AromaticContact CZ3-CH2 3.83Å; W151-W171 HydrophobicContact CZ3-CH2 3.83Å; W151-W171 AromaticContact CZ3-CZ2 3.96Å; W151-W171 HydrophobicContact CZ3-CZ2 3.96Å; W151-W171 AromaticContact CZ3-CZ3 3.78Å; W151-W171 HydrophobicContact CZ3-CZ3 3.78Å; N154-W171 HydrophobicContact CB-CE3 3.82Å; N154-W171 HydrophobicContact CB-CZ3 4.17Å; Q155-W171 CarbonylContact O-C 3.58Å; Q155-W171 WeakPolarHBondContact O-CA 3.11Å; T156-W171 HydrophobicContact CG2-CE3 4.48Å; T156-W171 HydrophobicContact CG2-CH2 4.11Å; T156-W171 HydrophobicContact CG2-CZ2 4.48Å; T156-W171 HydrophobicContact CG2-CZ3 4.11Å; W171-R420 HydrophobicContact CH2-CB 4.18Å; W171-R420 WeakPolarHBondContact CH2-O 3.32Å; W171-R420 HydrophobicContact CZ3-CB 4.45Å
172Y97.3Very high88.5Confident5 Ų532.7 Ų32.72%0.0218%0.181CC..EExtended strand (participates in β ladder)trans-146.9152.2178.171-86.6000112.3H102 W104 N154 Q155 Y157 M174 P193 T204H102-Y172 HydrophobicContact CB-CD2 4.4Å; H102-Y172 AromaticContact CD2-CD2 3.61Å; H102-Y172 AromaticContact CD2-CE2 3.72Å; H102-Y172 AromaticContact CE1-CD1 3.91Å; H102-Y172 AromaticContact CE1-CD2 3.39Å; H102-Y172 WeakPolarHBondContact CE1-CD2 3.36Å; H102-Y172 AromaticContact CE1-CE1 3.96Å; H102-Y172 AromaticContact CE1-CE2 3.45Å; H102-Y172 VanDerWaalsContact CE1-CE2 3.45Å; H102-Y172 WeakPolarHBondContact CE1-CE2 3.46Å; H102-Y172 AromaticContact CE1-CG 3.61Å; H102-Y172 AromaticContact CE1-CZ 3.71Å; H102-Y172 AromaticContact CG-CD2 3.57Å; H102-Y172 AromaticContact ND1-CD2 3.44Å; H102-Y172 WeakPolarHBondContact ND1-CD2 3.3Å; H102-Y172 AromaticContact ND1-CE2 3.99Å; H102-Y172 AromaticContact ND1-CG 3.49Å; H102-Y172 AromaticContact NE2-CD2 3.49Å; H102-Y172 WeakPolarHBondContact NE2-CD2 3.38Å; H102-Y172 AromaticContact NE2-CE2 3.24Å; H102-Y172 WeakPolarHBondContact NE2-CE2 3.37Å; H102-Y172 AromaticContact NE2-CZ 3.76Å; W104-Y172 CarbonylContact O-C 3.59Å; W104-Y172 WeakPolarHBondContact O-CA 3.28Å; W104-Y172 WeakPolarHBondContact O-CB 3.49Å; N154-Y172 CarbonylContact C-O 3.58Å; N154-Y172 WeakPolarHBondContact CA-O 3.48Å; Q155-Y172 HydrophobicContact CB-CD1 3.99Å; Q155-Y172 HydrophobicContact CB-CD2 4.19Å; Q155-Y172 HydrophobicContact CB-CE1 3.41Å; Q155-Y172 VanDerWaalsContact CB-CE1 3.41Å; Q155-Y172 HydrophobicContact CB-CE2 3.65Å; Q155-Y172 HydrophobicContact CB-CG 4.36Å; Q155-Y172 WeakPolarHBondContact CB-OH 3.25Å; Q155-Y172 HydrophobicContact CG-CE2 4.09Å; Q155-Y172 PolarHBondContact N-O 2.78Å; Q155-Y172 WeakPolarHBondContact O-CD1 3.47Å; Q155-Y172 PolarHBondContact O-N 2.9Å; Y157-Y172 AromaticContact CD1-CD1 3.67Å; Y157-Y172 HydrophobicContact CD1-CD1 3.67Å; Y157-Y172 AromaticContact CD1-CE1 3.72Å; Y157-Y172 HydrophobicContact CD1-CE1 3.72Å; Y157-Y172 AromaticContact CE1-CD1 3.84Å; Y157-Y172 HydrophobicContact CE1-CD1 3.84Å; Y157-Y172 HydrophobicContact CE1-CE1 4.28Å; Y172-M174 HydrophobicContact CD2-CG 4.27Å; Y172-M174 HydrophobicContact CE2-CG 3.84Å; Y172-P193 HydrophobicContact CE1-CB 4.32Å; Y172-T204 VanDerWaalsContact CE2-OG1 3.32Å; Y172-T204 WeakPolarHBondContact CE2-OG1 3.46Å; Y172-T204 PolarHBondContact OH-OG1 3.36Å
173I98.1Very high89.8Confident0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-114.8127.5170.4-60.7-175.2000107.1H102 A103 W104 M125 L128 M129 M150 N154H102-I173 CarbonylContact C-O 3.55Å; A103-I173 PolarHBondContact N-O 3.4Å; W104-I173 HydrophobicContact CB-CB 4.47Å; W104-I173 HydrophobicContact CE3-CD1 3.82Å; W104-I173 HydrophobicContact CE3-CG1 4.45Å; W104-I173 HydrophobicContact CZ3-CD1 4.23Å; W104-I173 PolarHBondContact N-O 3.42Å; W104-I173 PolarHBondContact O-N 3.12Å; M125-I173 HydrophobicContact SD-CB 4.46Å; M125-I173 HydrophobicContact SD-CD1 3.97Å; M125-I173 HydrophobicContact SD-CG2 4.26Å; L128-I173 HydrophobicContact CD2-CG2 3.56Å; M129-I173 HydrophobicContact CE-CD1 3.47Å; M129-I173 VanDerWaalsContact CE-CD1 3.47Å; M150-I173 HydrophobicContact CB-CD1 4.06Å; M150-I173 HydrophobicContact CE-CD1 4.18Å; N154-I173 WeakPolarHBondContact OD1-CG1 3.21Å
174M97.6Very high90.9Very high0 Ų031.4 Ų31.40%016%0.163CC..  trans-68.8163.1176.4-62.3175-66.800110.7V100 D101 Y172 G178 S179 M191 T204V100-M174 HydrophobicContact CG1-CB 4.01Å; V100-M174 HydrophobicContact CG1-CG 4.17Å; V100-M174 HydrophobicContact CG1-SD 4.03Å; D101-M174 CarbonylContact O-C 3.47Å; D101-M174 VanDerWaalsContact O-CA 3.29Å; D101-M174 WeakPolarHBondContact O-CA 3.23Å; Y172-M174 HydrophobicContact CD2-CG 4.27Å; Y172-M174 HydrophobicContact CE2-CG 3.84Å; M174-G178 WeakPolarHBondContact CE-O 3.4Å; M174-S179 PolarHBondContact O-OG 3.37Å; M174-M191 HydrophobicContact CE-CE 4.34Å; M174-M191 HydrophobicContact SD-CE 3.57Å; M174-M191 VanDerWaalsContact SD-CE 3.57Å; M174-T204 HydrophobicContact SD-CG2 3.93Å
175D95.6Very high92Very high26 Ų2633.5 Ų33.514%0.13917%0.167CC..  trans-53.9174.5168.167.523.8000114.4D101 F177 G178 S179D101-D175 HydrophobicContact CB-CB 4.33Å; D101-D175 PolarHBondContact N-OD2 2.83Å; D101-D175 VanDerWaalsContact N-OD2 3.1Å; D101-D175 PolarHBondContact O-N 2.8Å; D175-F177 PolarHBondContact O-N 2.72Å; D175-F177 VanDerWaalsContact O-N 3.14Å; D175-F177 WeakPolarHBondContact OD1-CB 3.49Å; D175-F177 PolarHBondContact OD1-N 2.56Å; D175-F177 VanDerWaalsContact OD1-N 3.09Å; D175-G178 PolarHBondContact O-N 3.17Å; D175-G178 PolarHBondContact OD1-N 3.27Å; D175-S179 WeakPolarHBondContact O-CB 3.43Å; D175-S179 PolarHBondContact O-N 2.84Å; D175-S179 PolarHBondContact O-OG 3.35Å
176E93.8Very high93Very high79 Ų7937.1 Ų37.137%0.36918%0.183SC..THydrogen-bonded Turntrans-57.2-27.4-178.2-67.673.1-168.200112.5I57 R124 L128 Q180I57-E176 WeakPolarHBondContact CD1-O 3.37Å; R124-E176 WeakPolarHBondContact CG-OE1 3.35Å; R124-E176 IonicContact CZ-OE1 3.07Å; R124-E176 IonicContact CZ-OE2 3.49Å; R124-E176 IonicContact NE-OE1 3.1Å; R124-E176 PolarHBondContact NE-OE1 3.12Å; R124-E176 IonicContact NE-OE2 3.06Å; R124-E176 IonicContact NH2-OE1 3.89Å; R124-E176 PolarHBondContact NH2-OE1 2.9Å; R124-E176 IonicContact NH2-OE2 2.79Å; R124-E176 PolarHBondContact NH2-OE2 3.29Å; L128-E176 HydrophobicContact CD1-CG 4.32Å; E176-Q180 WeakPolarHBondContact O-CG 3.32Å
177F95Very high94Very high25 Ų2533.6 Ų33.611%0.1117%0.169CC..THydrogen-bonded Turntrans-78.1-56.9175.8164.8-103.1000111.1A51 F55 V81 V100 D175 S179 Q180 L206A51-F177 HydrophobicContact CB-CD1 4.28Å; A51-F177 HydrophobicContact CB-CE1 4.01Å; A51-F177 HydrophobicContact CB-CZ 4.34Å; F55-F177 HydrophobicContact CB-CD2 4.33Å; F55-F177 HydrophobicContact CB-CE2 3.41Å; F55-F177 VanDerWaalsContact CB-CE2 3.41Å; F55-F177 HydrophobicContact CB-CZ 4.01Å; F55-F177 HydrophobicContact CD2-CE1 4.4Å; F55-F177 AromaticContact CD2-CE2 3.77Å; F55-F177 HydrophobicContact CD2-CE2 3.77Å; F55-F177 AromaticContact CD2-CZ 3.42Å; F55-F177 HydrophobicContact CD2-CZ 3.42Å; F55-F177 VanDerWaalsContact CD2-CZ 3.42Å; F55-F177 HydrophobicContact CE2-CZ 4.05Å; F55-F177 AromaticContact CG-CE2 3.76Å; F55-F177 HydrophobicContact CG-CE2 3.76Å; F55-F177 AromaticContact CG-CZ 3.83Å; F55-F177 HydrophobicContact CG-CZ 3.83Å; V81-F177 HydrophobicContact CG1-CD2 4.18Å; V81-F177 HydrophobicContact CG1-CE2 3.43Å; V81-F177 VanDerWaalsContact CG1-CE2 3.43Å; V81-F177 HydrophobicContact CG1-CZ 4.2Å; V81-F177 HydrophobicContact CG2-CD2 4.43Å; V81-F177 HydrophobicContact CG2-CE2 4.38Å; V100-F177 HydrophobicContact CG1-CD1 4.36Å; V100-F177 HydrophobicContact CG2-CD1 3.88Å; V100-F177 HydrophobicContact CG2-CE1 3.66Å; D175-F177 PolarHBondContact O-N 2.72Å; D175-F177 VanDerWaalsContact O-N 3.14Å; D175-F177 WeakPolarHBondContact OD1-CB 3.49Å; D175-F177 PolarHBondContact OD1-N 2.56Å; D175-F177 VanDerWaalsContact OD1-N 3.09Å; F177-S179 VanDerWaalsContact C-N 3.29Å; F177-S179 PolarHBondContact O-N 3.4Å; F177-Q180 PolarHBondContact O-N 3.46Å; F177-Q180 VanDerWaalsContact O-N 3.08Å; F177-L206 HydrophobicContact CE1-CD1 4.14Å; F177-L206 HydrophobicContact CZ-CD1 4.11Å
178G95.9Very high94.9Very high0 Ų029.7 Ų29.70%015%0.153CC..G310 helixtrans-60.8-39.5-175.800000112.8M174 D175 Q180 V181M174-G178 WeakPolarHBondContact CE-O 3.4Å; D175-G178 PolarHBondContact O-N 3.17Å; D175-G178 PolarHBondContact OD1-N 3.27Å; G178-Q180 PolarHBondContact O-N 3.42Å; G178-V181 PolarHBondContact O-N 3.37Å
179S95.4Very high95.6Very high6 Ų629 Ų294%0.04215%0.147CC..G310 helixtrans-66.5-13.9179.6-730000114M174 D175 F177M174-S179 PolarHBondContact O-OG 3.37Å; D175-S179 WeakPolarHBondContact O-CB 3.43Å; D175-S179 PolarHBondContact O-N 2.84Å; D175-S179 PolarHBondContact O-OG 3.35Å; F177-S179 VanDerWaalsContact C-N 3.29Å; F177-S179 PolarHBondContact O-N 3.4Å
180Q94.7Very high95.9Very high29 Ų2929.5 Ų29.514%0.13615%0.151CC..G310 helixtrans-100.6-3.4179-59.3-61-17.100113.8I57 C79 V81 E176 F177 G178 Q182I57-Q180 HydrophobicContact CD1-CG 4.37Å; I57-Q180 HydrophobicContact CG2-CG 4.4Å; C79-Q180 HydrophobicContact CB-CB 4.49Å; C79-Q180 HydrophobicContact CB-CG 4.3Å; C79-Q180 VanDerWaalsContact CB-OE1 3.31Å; V81-Q180 HydrophobicContact CG2-CB 3.81Å; E176-Q180 WeakPolarHBondContact O-CG 3.32Å; F177-Q180 PolarHBondContact O-N 3.46Å; F177-Q180 VanDerWaalsContact O-N 3.08Å; G178-Q180 PolarHBondContact O-N 3.42Å; Q180-Q182 WeakPolarHBondContact O-CG 3.46Å; Q180-Q182 PolarHBondContact O-N 3.09Å; Q180-Q182 VanDerWaalsContact O-N 3.17Å; Q180-Q182 PolarHBondContact O-NE2 3.45Å
181V96.2Very high96.2Very high0 Ų030 Ų300%015%0.153CC..  trans-71.1107.7174.2-179.90000109.3V81 G178 M191 L206 V218 R220 Y222V81-V181 HydrophobicContact CB-CG2 4.4Å; V81-V181 HydrophobicContact CG2-CG2 4.04Å; G178-V181 PolarHBondContact O-N 3.37Å; V181-M191 HydrophobicContact CB-SD 3.88Å; V181-M191 HydrophobicContact CG1-SD 3.79Å; V181-M191 HydrophobicContact CG2-CE 4.42Å; V181-M191 HydrophobicContact CG2-SD 4.02Å; V181-L206 HydrophobicContact CG2-CD1 4.18Å; V181-V218 HydrophobicContact CG1-CG1 4.15Å; V181-V218 HydrophobicContact CG2-CG1 4.4Å; V181-R220 HydrophobicContact CG1-CB 4.12Å; V181-R220 HydrophobicContact CG1-CG 4.08Å; V181-Y222 PolarHBondContact O-OH 3.06Å
182Q95.1Very high96.2Very high58 Ų5830.5 Ų30.527%0.27116%0.157SC..EExtended strand (participates in β ladder)trans-80.8166.8-170-61.9-54.4-42.500113.8C79 Q180 T219 R220C79-Q182 PolarHBondContact O-NE2 3.43Å; Q180-Q182 WeakPolarHBondContact O-CG 3.46Å; Q180-Q182 PolarHBondContact O-N 3.09Å; Q180-Q182 VanDerWaalsContact O-N 3.17Å; Q180-Q182 PolarHBondContact O-NE2 3.45Å; Q182-T219 CarbonylContact O-C 3.45Å; Q182-T219 VanDerWaalsContact O-CA 3.25Å; Q182-T219 WeakPolarHBondContact O-CA 3.3Å; Q182-T219 WeakPolarHBondContact O-CB 3.36Å; Q182-R220 PolarHBondContact O-N 3Å
183H95.6Very high96Very high33 Ų3332.8 Ų32.815%0.15317%0.172CC..EExtended strand (participates in β ladder)trans-73.5140.9175.5-176.844000113D185 R220 D221 Y222 L236H183-D185 IonicContact CE1-OD1 2.58Å; H183-D185 IonicContact NE2-OD1 3.71Å; H183-R220 CarbonylContact C-O 3.36Å; H183-R220 WeakPolarHBondContact CA-O 3.5Å; H183-R220 PolarHBondContact ND1-O 3.39Å; H183-D221 IonicContact CE1-OD1 3.77Å; H183-D221 PolarHBondContact CE1-OD1 3.08Å; H183-D221 VanDerWaalsContact CE1-OD1 3.22Å; H183-D221 IonicContact ND1-OD1 3.58Å; H183-Y222 HydrophobicContact CB-CD1 4.22Å; H183-Y222 HydrophobicContact CB-CD2 3.57Å; H183-Y222 HydrophobicContact CB-CE1 4.28Å; H183-Y222 HydrophobicContact CB-CE2 3.7Å; H183-Y222 HydrophobicContact CB-CG 3.89Å; H183-Y222 PolarHBondContact ND1-N 3.34Å; H183-Y222 VanDerWaalsContact ND1-N 3.17Å; H183-L236 WeakPolarHBondContact NE2-CD1 3.39Å; H183-L236 WeakPolarHBondContact NE2-CD2 3.14Å
184S96Very high95.8Very high32 Ų3233.5 Ų33.522%0.22418%0.175CC..  trans-141.6143.4158.4177.70000110.1H186 T219 R220S184-H186 PolarHBondContact O-N 3.45Å; S184-H186 PolarHBondContact OG-N 3.38Å; S184-H186 PolarHBondContact OG-O 2.96Å; S184-T219 WeakPolarHBondContact CB-OG1 3.12Å; S184-R220 PolarHBondContact N-O 3.06Å
185D94.4Very high95.4Very high92 Ų9236.4 Ų36.449%0.49219%0.188SC..SBendtrans-69.3-16.3166.8-75.7-46.3000112.2H183 P187 R232H183-D185 IonicContact CE1-OD1 2.58Å; H183-D185 IonicContact NE2-OD1 3.71Å; D185-P187 WeakPolarHBondContact O-CD 3.43Å; D185-R232 IonicContact OD1-CZ 3.08Å; D185-R232 VanDerWaalsContact OD1-CZ 3.25Å; D185-R232 IonicContact OD1-NE 3.73Å; D185-R232 PolarHBondContact OD1-NE 3.26Å; D185-R232 IonicContact OD1-NH2 3.62Å; D185-R232 PolarHBondContact OD1-NH2 2.87Å
186H95.9Very high95.1Very high166 Ų16636.6 Ų36.677%0.76919%0.187SC*.SBendtrans-121.574.1171.5-58.1-54.6000108.5S184S184-H186 PolarHBondContact O-N 3.45Å; S184-H186 PolarHBondContact OG-N 3.38Å; S184-H186 PolarHBondContact OG-O 2.96Å
187P97.3Very high94.6Very high29 Ų2936.5 Ų36.519%0.18819%0.187CC..  trans-68.1138.8-172.330-37.4000111.6D185 L209 D221D185-P187 WeakPolarHBondContact O-CD 3.43Å; P187-L209 HydrophobicContact CB-CD1 4.29Å; P187-L209 HydrophobicContact CG-CD1 3.88Å; P187-D221 HydrophobicContact CB-CB 4.47Å; P187-D221 HydrophobicContact CG-CB 4.12Å
188S98.1Very high94Very high6 Ų639.4 Ų39.44%0.04220%0.201CC..SBendtrans-79.3-26.9173.745.80000112.8L209 E217 V218 T219S188-L209 PolarHBondContact O-N 2.94Å; S188-E217 WeakPolarHBondContact CB-O 3.25Å; S188-E217 PolarHBondContact OG-O 2.99Å; S188-V218 WeakPolarHBondContact OG-CA 3.35Å; S188-T219 PolarHBondContact N-O 3.48Å; S188-T219 PolarHBondContact N-OG1 3.35Å; S188-T219 PolarHBondContact OG-N 3.45Å; S188-T219 PolarHBondContact OG-OG1 3.39Å; S188-T219 VanDerWaalsContact OG-OG1 3.08Å
189C97.9Very high93.3Very high1 Ų141.1 Ų41.11%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-131.6158.7179-68.70000111.7L206 W207 V218 T219C189-L206 HydrophobicContact CB-CD2 4.35Å; C189-L206 HydrophobicContact CB-CG 4.29Å; C189-W207 CarbonylContact C-O 3.54Å; C189-W207 VanDerWaalsContact CA-O 3.29Å; C189-W207 WeakPolarHBondContact CA-O 3.26Å; C189-W207 WeakPolarHBondContact CB-O 3.2Å; C189-V218 HydrophobicContact CB-CG1 4.15Å; C189-T219 PolarHBondContact N-O 3.5Å; C189-T219 VanDerWaalsContact O-O 3.09Å
190C97.2Very high92.9Very high16 Ų1647.2 Ų47.211%0.10825%0.247CC..EExtended strand (participates in β ladder)trans-102.8150.8165.7-165.70000109.8L206 W207 L209C190-L206 WeakPolarHBondContact O-CA 3.36Å; C190-W207 HydrophobicContact CB-CD2 4.04Å; C190-W207 VanDerWaalsContact CB-CE2 3.49Å; C190-W207 HydrophobicContact CB-CE3 4.48Å; C190-W207 HydrophobicContact CB-CH2 3.97Å; C190-W207 HydrophobicContact CB-CZ2 3.49Å; C190-W207 VanDerWaalsContact CB-CZ2 3.49Å; C190-W207 HydrophobicContact CB-CZ3 4.43Å; C190-W207 PolarHBondContact N-O 3.25Å; C190-W207 PolarHBondContact O-N 3.34Å; C190-W207 WeakPolarHBondContact SG-CZ2 3.42Å; C190-L209 HydrophobicContact CB-CD1 4.28Å; C190-L209 HydrophobicContact CB-CD2 4.02Å; C190-L209 HydrophobicContact CB-CG 4.19Å
191M97.1Very high92.6Very high27 Ų2750 Ų5013%0.13326%0.262CS..EExtended strand (participates in β ladder)trans-134.7133.7171.6-64.6-176.483.900110.3V100 M174 V181 T204 L205 L206 R220V100-M191 HydrophobicContact CB-CE 4.38Å; V100-M191 HydrophobicContact CG1-CE 4.27Å; V100-M191 HydrophobicContact CG2-CE 3.97Å; M174-M191 HydrophobicContact CE-CE 4.34Å; M174-M191 HydrophobicContact SD-CE 3.57Å; M174-M191 VanDerWaalsContact SD-CE 3.57Å; V181-M191 HydrophobicContact CB-SD 3.88Å; V181-M191 HydrophobicContact CG1-SD 3.79Å; V181-M191 HydrophobicContact CG2-CE 4.42Å; V181-M191 HydrophobicContact CG2-SD 4.02Å; M191-T204 HydrophobicContact CB-CG2 3.92Å; M191-T204 HydrophobicContact CE-CG2 3.79Å; M191-L205 WeakPolarHBondContact CA-O 3.41Å; M191-L206 HydrophobicContact CE-CB 4.39Å; M191-L206 HydrophobicContact CE-CD1 4Å; M191-L206 HydrophobicContact CG-CB 4.14Å; M191-L206 HydrophobicContact CG-CD1 4.04Å; M191-L206 HydrophobicContact CG-CG 4.1Å; M191-L206 HydrophobicContact SD-CD1 3.99Å; M191-R220 HydrophobicContact CG-CB 4.44Å; M191-R220 VanDerWaalsContact SD-CD 3.54Å
192A95.1Very high92.4Very high11 Ų1150.7 Ų50.79%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-143.4142178.800000112T204 L205 W207A192-T204 CarbonylContact O-C 3.52Å; A192-T204 WeakPolarHBondContact O-CA 3.35Å; A192-L205 PolarHBondContact N-O 2.83Å; A192-L205 VanDerWaalsContact N-O 3.08Å; A192-L205 PolarHBondContact O-N 3.13Å; A192-W207 HydrophobicContact CB-CH2 3.76Å; A192-W207 HydrophobicContact CB-CZ3 3.96Å
193P93.9Very high92.3Very high52 Ų5248.3 Ų48.334%0.33826%0.256SS..EExtended strand (participates in β ladder)trans-63.7143.3171.727-32.9000110.4Y172 Y203Y172-P193 HydrophobicContact CE1-CB 4.32Å; P193-Y203 CarbonylContact C-O 3.52Å; P193-Y203 WeakPolarHBondContact CA-O 3.34Å
194F93.1Very high92.4Very high15 Ų1546.8 Ų46.87%0.06625%0.249CC..EExtended strand (participates in β ladder)trans-139.9125.3177.5178.2-99.9000110F19 Q23 L27 I44 Y196 A202 Y203 L205F19-F194 AromaticContact CE2-CZ 3.88Å; F19-F194 HydrophobicContact CE2-CZ 3.88Å; F19-F194 HydrophobicContact CZ-CZ 4.06Å; Q23-F194 HydrophobicContact CB-CE2 4.19Å; Q23-F194 HydrophobicContact CB-CZ 4.2Å; Q23-F194 HydrophobicContact CG-CE2 4.38Å; Q23-F194 HydrophobicContact CG-CZ 4.01Å; L27-F194 HydrophobicContact CD2-CD2 3.7Å; L27-F194 HydrophobicContact CD2-CE2 3.58Å; L27-F194 HydrophobicContact CD2-CZ 4.49Å; L27-F194 HydrophobicContact CG-CE2 4.01Å; I44-F194 HydrophobicContact CD1-CD1 3.92Å; I44-F194 HydrophobicContact CD1-CE1 3.43Å; I44-F194 VanDerWaalsContact CD1-CE1 3.43Å; I44-F194 HydrophobicContact CD1-CZ 4.35Å; F194-Y196 HydrophobicContact CE1-CD2 4.34Å; F194-A202 WeakPolarHBondContact O-CA 3.46Å; F194-Y203 PolarHBondContact N-O 3.42Å; F194-Y203 PolarHBondContact O-N 3.38Å; F194-L205 HydrophobicContact CB-CD1 3.68Å; F194-L205 HydrophobicContact CB-CD2 3.98Å; F194-L205 HydrophobicContact CB-CG 3.56Å; F194-L205 HydrophobicContact CD1-CD2 4.33Å; F194-L205 HydrophobicContact CD2-CD1 4.03Å; F194-L205 HydrophobicContact CG-CD1 3.82Å; F194-L205 HydrophobicContact CG-CD2 4.27Å; F194-L205 HydrophobicContact CG-CG 4.12Å
195F90.4Very high92.5Very high61 Ų6145.4 Ų45.427%0.26824%0.239SC..EExtended strand (participates in β ladder)trans-104.6110.7177.3-171.7-97000110.2Q23 M197 Q200 A202Q23-F195 PolarHBondContact NE2-O 3.08Å; Q23-F195 VanDerWaalsContact NE2-O 3.1Å; F195-M197 HydrophobicContact CD1-CG 4.18Å; F195-M197 HydrophobicContact CE1-CG 4.49Å; F195-M197 PolarHBondContact O-N 3.36Å; F195-M197 VanDerWaalsContact O-N 3.16Å; F195-Q200 HydrophobicContact CZ-CB 4.48Å; F195-A202 HydrophobicContact CD2-CB 4.06Å
196Y89.4Confident92.7Very high31 Ų3141 Ų4112%0.12222%0.216CC..EExtended strand (participates in β ladder)trans-79.799.2177.1-176.8-130.3000110.2F19 I44 F194 Q198 G199 Q200 L201F19-Y196 HydrophobicContact CD2-CE2 4.1Å; F19-Y196 HydrophobicContact CE2-CD2 4.33Å; F19-Y196 HydrophobicContact CE2-CE2 4.3Å; I44-Y196 HydrophobicContact CG2-CD1 3.36Å; I44-Y196 HydrophobicContact CG2-CD2 3.93Å; I44-Y196 HydrophobicContact CG2-CE1 3.54Å; I44-Y196 HydrophobicContact CG2-CE2 4.09Å; I44-Y196 HydrophobicContact CG2-CG 3.57Å; F194-Y196 HydrophobicContact CE1-CD2 4.34Å; Y196-Q198 VanDerWaalsContact C-N 3.32Å; Y196-Q198 HydrophobicContact CE1-CB 4.04Å; Y196-Q198 HydrophobicContact CE2-CB 4.09Å; Y196-Q198 VanDerWaalsContact CE2-OE1 3.28Å; Y196-Q198 PolarHBondContact O-N 2.97Å; Y196-G199 VanDerWaalsContact CE1-N 3.33Å; Y196-G199 CarbonylContact O-C 3.47Å; Y196-G199 PolarHBondContact O-N 2.72Å; Y196-Q200 WeakPolarHBondContact O-CA 3.25Å; Y196-Q200 PolarHBondContact O-N 3.05Å; Y196-L201 PolarHBondContact N-O 3.05Å; Y196-L201 PolarHBondContact O-N 3.32Å
197M82.9Confident92.8Very high76 Ų7633.3 Ų33.337%0.37418%0.18SC..THydrogen-bonded Turntrans-56.9-39.7-173.4-74.7-171.3-79.800113.6L22 Q23 F195 Q200L22-M197 HydrophobicContact CB-CE 3.78Å; L22-M197 HydrophobicContact CD2-CE 4.39Å; L22-M197 WeakPolarHBondContact O-CE 3.46Å; Q23-M197 HydrophobicContact CG-CE 4.36Å; F195-M197 HydrophobicContact CD1-CG 4.18Å; F195-M197 HydrophobicContact CE1-CG 4.49Å; F195-M197 PolarHBondContact O-N 3.36Å; F195-M197 VanDerWaalsContact O-N 3.16Å; M197-Q200 PolarHBondContact O-NE2 3.23Å
198Q83.2Confident92.8Very high87 Ų8732.1 Ų32.141%0.40717%0.172SC..THydrogen-bonded Turntrans-72.7-36.5-177.7-66.185.5-23.100111.9Y196Y196-Q198 VanDerWaalsContact C-N 3.32Å; Y196-Q198 HydrophobicContact CE1-CB 4.04Å; Y196-Q198 HydrophobicContact CE2-CB 4.09Å; Y196-Q198 VanDerWaalsContact CE2-OE1 3.28Å; Y196-Q198 PolarHBondContact O-N 2.97Å
199G81.1Confident92.8Very high35 Ų3536 Ų3636%0.36119%0.192SC..THydrogen-bonded Turntrans-87.2-10.2176.800000114.3Y196 L201Y196-G199 VanDerWaalsContact CE1-N 3.33Å; Y196-G199 CarbonylContact O-C 3.47Å; Y196-G199 PolarHBondContact O-N 2.72Å; G199-L201 WeakPolarHBondContact O-CG 3.49Å; G199-L201 PolarHBondContact O-N 2.84Å
200Q85.3Confident92.7Very high135 Ų13541 Ų4163%0.63122%0.215SC*.THydrogen-bonded Turntrans53.835.4-174.9-62.8-72.2-49.200113.1F195 Y196 M197F195-Q200 HydrophobicContact CZ-CB 4.48Å; Y196-Q200 WeakPolarHBondContact O-CA 3.25Å; Y196-Q200 PolarHBondContact O-N 3.05Å; M197-Q200 PolarHBondContact O-NE2 3.23Å
201L88.3Confident92.8Very high88 Ų8845.1 Ų45.146%0.46124%0.236SC..EExtended strand (participates in β ladder)trans-123.3144.6-177.8-72.5169.6000111.2Y196 G199 Y203Y196-L201 PolarHBondContact N-O 3.05Å; Y196-L201 PolarHBondContact O-N 3.32Å; G199-L201 WeakPolarHBondContact O-CG 3.49Å; G199-L201 PolarHBondContact O-N 2.84Å; L201-Y203 HydrophobicContact CB-CE2 3.8Å; L201-Y203 WeakPolarHBondContact CD1-OH 3.49Å
202A92.3Very high92.8Very high14 Ų1444.1 Ų44.112%0.11623%0.231CC..EExtended strand (participates in β ladder)trans-104137.6176.200000110.2Y157 F194 F195Y157-A202 HydrophobicContact CE1-CB 4.06Å; F194-A202 WeakPolarHBondContact O-CA 3.46Å; F195-A202 HydrophobicContact CD2-CB 4.06Å
203Y94.4Very high92.9Very high8 Ų850.6 Ų50.63%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-130.4164.9174.7-59-82.1000109.4Y49 L99 H102 P193 F194 L201Y49-Y203 HydrophobicContact CE1-CE1 4.02Å; Y49-Y203 WeakPolarHBondContact OH-CE1 3.4Å; L99-Y203 HydrophobicContact CB-CD1 4.49Å; L99-Y203 HydrophobicContact CD2-CG 4.41Å; H102-Y203 PolarHBondContact NE2-O 3.08Å; P193-Y203 CarbonylContact C-O 3.52Å; P193-Y203 WeakPolarHBondContact CA-O 3.34Å; F194-Y203 PolarHBondContact N-O 3.42Å; F194-Y203 PolarHBondContact O-N 3.38Å; L201-Y203 HydrophobicContact CB-CE2 3.8Å; L201-Y203 WeakPolarHBondContact CD1-OH 3.49Å
204T97.1Very high93Very high1 Ų150.2 Ų50.21%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-104.9127.4158.8-56.90000108.2V100 H102 Y172 M174 M191 A192V100-T204 VanDerWaalsContact CB-O 3.32Å; V100-T204 WeakPolarHBondContact CB-O 3.47Å; V100-T204 PolarHBondContact N-O 2.83Å; V100-T204 PolarHBondContact O-N 2.89Å; H102-T204 PolarHBondContact NE2-N 2.88Å; H102-T204 PolarHBondContact NE2-OG1 2.93Å; H102-T204 VanDerWaalsContact NE2-OG1 3.08Å; Y172-T204 VanDerWaalsContact CE2-OG1 3.32Å; Y172-T204 WeakPolarHBondContact CE2-OG1 3.46Å; Y172-T204 PolarHBondContact OH-OG1 3.36Å; M174-T204 HydrophobicContact SD-CG2 3.93Å; M191-T204 HydrophobicContact CB-CG2 3.92Å; M191-T204 HydrophobicContact CE-CG2 3.79Å; A192-T204 CarbonylContact O-C 3.52Å; A192-T204 WeakPolarHBondContact O-CA 3.35Å
205L97.9Very high93Very high2 Ų252 Ų521%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-85.8138.8173.8-53.2-177.7000108.8L27 V32 L40 I97 F98 L99 M191 A192 F194 W207L27-L205 HydrophobicContact CD2-CD1 3.85Å; V32-L205 HydrophobicContact CG2-CD1 4.06Å; L40-L205 HydrophobicContact CD1-CD1 4.32Å; L40-L205 HydrophobicContact CD1-CD2 3.5Å; L40-L205 HydrophobicContact CD2-CD1 3.7Å; L40-L205 HydrophobicContact CD2-CD2 4.4Å; I97-L205 HydrophobicContact CD1-CD1 4.42Å; F98-L205 WeakPolarHBondContact O-CA 3.2Å; L99-L205 HydrophobicContact CD2-CD2 3.58Å; M191-L205 WeakPolarHBondContact CA-O 3.41Å; A192-L205 PolarHBondContact N-O 2.83Å; A192-L205 VanDerWaalsContact N-O 3.08Å; A192-L205 PolarHBondContact O-N 3.13Å; F194-L205 HydrophobicContact CB-CD1 3.68Å; F194-L205 HydrophobicContact CB-CD2 3.98Å; F194-L205 HydrophobicContact CB-CG 3.56Å; F194-L205 HydrophobicContact CD1-CD2 4.33Å; F194-L205 HydrophobicContact CD2-CD1 4.03Å; F194-L205 HydrophobicContact CG-CD1 3.82Å; F194-L205 HydrophobicContact CG-CD2 4.27Å; F194-L205 HydrophobicContact CG-CG 4.12Å; L205-W207 HydrophobicContact CB-CE3 4.06Å; L205-W207 HydrophobicContact CB-CZ3 3.9Å
206L98.2Very high93.3Very high0 Ų052.1 Ų52.10%029%0.291CS..EExtended strand (participates in β ladder)trans-123.2131.1171.9-179.5154.4000109.6F55 I97 F98 V100 F177 V181 C189 C190 M191 V218F55-L206 HydrophobicContact CE2-CD2 3.97Å; F55-L206 HydrophobicContact CZ-CD2 3.69Å; I97-L206 CarbonylContact C-O 3.58Å; I97-L206 WeakPolarHBondContact CA-O 3.43Å; F98-L206 HydrophobicContact CB-CB 4.43Å; F98-L206 HydrophobicContact CD2-CD2 3.81Å; F98-L206 PolarHBondContact N-O 3.14Å; F98-L206 PolarHBondContact O-N 2.9Å; V100-L206 HydrophobicContact CG2-CB 4.19Å; F177-L206 HydrophobicContact CE1-CD1 4.14Å; F177-L206 HydrophobicContact CZ-CD1 4.11Å; V181-L206 HydrophobicContact CG2-CD1 4.18Å; C189-L206 HydrophobicContact CB-CD2 4.35Å; C189-L206 HydrophobicContact CB-CG 4.29Å; C190-L206 WeakPolarHBondContact O-CA 3.36Å; M191-L206 HydrophobicContact CE-CB 4.39Å; M191-L206 HydrophobicContact CE-CD1 4Å; M191-L206 HydrophobicContact CG-CB 4.14Å; M191-L206 HydrophobicContact CG-CD1 4.04Å; M191-L206 HydrophobicContact CG-CG 4.1Å; M191-L206 HydrophobicContact SD-CD1 3.99Å; L206-V218 HydrophobicContact CD1-CG1 4.07Å
207W98.1Very high93.6Very high5 Ų553.6 Ų53.62%0.01930%0.299CS..EExtended strand (participates in β ladder)trans-146.3151.4175.566.593.4000111.5V32 Y36 I97 C189 C190 A192 L205V32-W207 HydrophobicContact CG2-CE3 4.26Å; V32-W207 HydrophobicContact CG2-CH2 3.64Å; V32-W207 HydrophobicContact CG2-CZ2 4.02Å; V32-W207 HydrophobicContact CG2-CZ3 3.78Å; Y36-W207 HydrophobicContact CD2-CB 4.01Å; Y36-W207 HydrophobicContact CD2-CG 4.26Å; Y36-W207 HydrophobicContact CE2-CB 3.69Å; Y36-W207 AromaticContact CE2-CD1 3.78Å; Y36-W207 AromaticContact CE2-CG 3.94Å; Y36-W207 HydrophobicContact CE2-CG 3.94Å; I97-W207 HydrophobicContact CG1-CB 4.45Å; C189-W207 CarbonylContact C-O 3.54Å; C189-W207 VanDerWaalsContact CA-O 3.29Å; C189-W207 WeakPolarHBondContact CA-O 3.26Å; C189-W207 WeakPolarHBondContact CB-O 3.2Å; C190-W207 HydrophobicContact CB-CD2 4.04Å; C190-W207 VanDerWaalsContact CB-CE2 3.49Å; C190-W207 HydrophobicContact CB-CE3 4.48Å; C190-W207 HydrophobicContact CB-CH2 3.97Å; C190-W207 HydrophobicContact CB-CZ2 3.49Å; C190-W207 VanDerWaalsContact CB-CZ2 3.49Å; C190-W207 HydrophobicContact CB-CZ3 4.43Å; C190-W207 PolarHBondContact N-O 3.25Å; C190-W207 PolarHBondContact O-N 3.34Å; C190-W207 WeakPolarHBondContact SG-CZ2 3.42Å; A192-W207 HydrophobicContact CB-CH2 3.76Å; A192-W207 HydrophobicContact CB-CZ3 3.96Å; L205-W207 HydrophobicContact CB-CE3 4.06Å; L205-W207 HydrophobicContact CB-CZ3 3.9Å
208P97.8Very high94.3Very high3 Ų350 Ų502%0.01928%0.281CS..EExtended strand (participates in β ladder)trans-74.5146.3-17831-33.1000111.7V91 S96 Q210V91-P208 HydrophobicContact CG2-CB 4.22Å; V91-P208 HydrophobicContact CG2-CG 4.21Å; S96-P208 WeakPolarHBondContact O-CD 3.38Å; P208-Q210 WeakPolarHBondContact CB-O 3.41Å
209L97.5Very high95Very high89 Ų8946.4 Ų46.447%0.46627%0.265SS..SBendtrans-98-15.6172-67.1173.3000112.4P187 S188 C190P187-L209 HydrophobicContact CB-CD1 4.29Å; P187-L209 HydrophobicContact CG-CD1 3.88Å; S188-L209 PolarHBondContact O-N 2.94Å; C190-L209 HydrophobicContact CB-CD1 4.28Å; C190-L209 HydrophobicContact CB-CD2 4.02Å; C190-L209 HydrophobicContact CB-CG 4.19Å
210Q97.4Very high95.8Very high106 Ų10645.6 Ų45.650%0.49525%0.251SS..SBendtrans-149.2161.317861.4-178.845.600109P208 L212P208-Q210 WeakPolarHBondContact CB-O 3.41Å; Q210-L212 HydrophobicContact CG-CD2 3.87Å
211D98Very high96.3Very high102 Ų10240.6 Ų40.655%0.54523%0.229SC..  trans-64.3138.9172.9-59.2-21.6000109.6L89 E90 V91L89-D211 CarbonylContact O-C 3.27Å; L89-D211 VanDerWaalsContact O-CA 3.27Å; L89-D211 WeakPolarHBondContact O-CA 2.96Å; E90-D211 VanDerWaalsContact CA-OD1 3.32Å; E90-D211 WeakPolarHBondContact CA-OD1 3.35Å; V91-D211 PolarHBondContact N-OD1 3.36Å
212L97.8Very high96.7Very high5 Ų537.2 Ų37.23%0.02621%0.21CC..BIsolated β-bridgetrans-125.8136.7-177.8-58.5174.6000110.6V83 G88 L89 Q210 D216V83-L212 HydrophobicContact CG2-CB 3.89Å; V83-L212 HydrophobicContact CG2-CD1 4.04Å; G88-L212 CarbonylContact C-O 3.6Å; G88-L212 WeakPolarHBondContact CA-O 3.49Å; L89-L212 HydrophobicContact CB-CB 4.3Å; L89-L212 HydrophobicContact CD1-CD1 4.32Å; L89-L212 PolarHBondContact N-O 2.68Å; L89-L212 PolarHBondContact O-N 2.66Å; Q210-L212 HydrophobicContact CG-CD2 3.87Å; L212-D216 HydrophobicContact CB-CB 4.24Å; L212-D216 HydrophobicContact CD2-CB 4.22Å
213Q97Very high96.8Very high148 Ų14836.5 Ų36.569%0.69220%0.204SC*.  trans-94.6163.9175.8-61.3-173.9-0.300111.2V83 G215 D216V83-Q213 WeakPolarHBondContact CB-O 3.4Å; Q213-G215 PolarHBondContact O-N 3.37Å; Q213-D216 PolarHBondContact N-OD2 2.99Å; Q213-D216 WeakPolarHBondContact O-CB 3.42Å; Q213-D216 PolarHBondContact O-N 2.88Å
214G95.3Very high96.6Very high43 Ų4343.4 Ų43.444%0.44323%0.231SC..THydrogen-bonded Turntrans-56.3125.717100000111.2
215G93.4Very high96.3Very high52 Ų5246.3 Ų46.354%0.53626%0.261SS..THydrogen-bonded Turntrans98-14.1-175.600000114.9V83 Q213V83-G215 PolarHBondContact O-N 3.08Å; Q213-G215 PolarHBondContact O-N 3.37Å
216D96.4Very high96.1Very high64 Ų6448.1 Ų48.134%0.34227%0.27SS..  trans-67.3143178-73.7-15.6000111.4V82 V83 L212 Q213V82-D216 CarbonylContact C-O 3.53Å; V82-D216 VanDerWaalsContact CA-O 3.22Å; V82-D216 WeakPolarHBondContact CA-O 3.08Å; V83-D216 PolarHBondContact N-O 3.36Å; L212-D216 HydrophobicContact CB-CB 4.24Å; L212-D216 HydrophobicContact CD2-CB 4.22Å; Q213-D216 PolarHBondContact N-OD2 2.99Å; Q213-D216 WeakPolarHBondContact O-CB 3.42Å; Q213-D216 PolarHBondContact O-N 2.88Å
217E96.8Very high95.8Very high63 Ų6354.4 Ų54.429%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-77.4134.9-179.8-167.5175.4175.700111.5K80 S188 T219K80-E217 HydrophobicContact CD-CG 4.41Å; K80-E217 VanDerWaalsContact CD-OE1 3.25Å; K80-E217 WeakPolarHBondContact CD-OE1 3.31Å; K80-E217 WeakPolarHBondContact CE-OE1 3.43Å; K80-E217 WeakPolarHBondContact CG-OE1 3.36Å; K80-E217 IonicContact NZ-OE1 3.58Å; K80-E217 PolarHBondContact NZ-OE1 3Å; K80-E217 IonicContact NZ-OE2 3.69Å; K80-E217 PolarHBondContact NZ-OE2 3.19Å; S188-E217 WeakPolarHBondContact CB-O 3.25Å; S188-E217 PolarHBondContact OG-O 2.99Å; E217-T219 HydrophobicContact CB-CG2 4.4Å; E217-T219 HydrophobicContact CG-CG2 3.74Å
218V97.8Very high95.7Very high0 Ų057.7 Ų57.70%033%0.326CS..EExtended strand (participates in β ladder)trans-92.7115.6173.4-178.30000108.5F55 V81 V83 V181 S188 C189 L206F55-V218 HydrophobicContact CD1-CG2 3.55Å; F55-V218 HydrophobicContact CE1-CG2 3.57Å; V81-V218 HydrophobicContact CB-CB 4.06Å; V81-V218 HydrophobicContact CG1-CB 3.75Å; V81-V218 HydrophobicContact CG1-CG1 4.31Å; V81-V218 HydrophobicContact CG1-CG2 3.98Å; V81-V218 PolarHBondContact O-N 3.14Å; V83-V218 HydrophobicContact CG2-CG2 4.04Å; V181-V218 HydrophobicContact CG1-CG1 4.15Å; V181-V218 HydrophobicContact CG2-CG1 4.4Å; S188-V218 WeakPolarHBondContact OG-CA 3.35Å; C189-V218 HydrophobicContact CB-CG1 4.15Å; L206-V218 HydrophobicContact CD1-CG1 4.07Å
219T97.9Very high95.6Very high11 Ų1162.2 Ų62.27%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-133.6158.3-175.759.40000110.6Q182 S184 S188 C189 E217Q182-T219 CarbonylContact O-C 3.45Å; Q182-T219 VanDerWaalsContact O-CA 3.25Å; Q182-T219 WeakPolarHBondContact O-CA 3.3Å; Q182-T219 WeakPolarHBondContact O-CB 3.36Å; S184-T219 WeakPolarHBondContact CB-OG1 3.12Å; S188-T219 PolarHBondContact N-O 3.48Å; S188-T219 PolarHBondContact N-OG1 3.35Å; S188-T219 PolarHBondContact OG-N 3.45Å; S188-T219 PolarHBondContact OG-OG1 3.39Å; S188-T219 VanDerWaalsContact OG-OG1 3.08Å; C189-T219 PolarHBondContact N-O 3.5Å; C189-T219 VanDerWaalsContact O-O 3.09Å; E217-T219 HydrophobicContact CB-CG2 4.4Å; E217-T219 HydrophobicContact CG-CG2 3.74Å
220R97.1Very high95.5Very high18 Ų1860.7 Ų60.77%0.06835%0.348CS..EExtended strand (participates in β ladder)trans-134.5168.5176.273.6178.2-172.4-169.1-17.7111.6V181 Q182 H183 S184 M191 Y222V181-R220 HydrophobicContact CG1-CB 4.12Å; V181-R220 HydrophobicContact CG1-CG 4.08Å; Q182-R220 PolarHBondContact O-N 3Å; H183-R220 CarbonylContact C-O 3.36Å; H183-R220 WeakPolarHBondContact CA-O 3.5Å; H183-R220 PolarHBondContact ND1-O 3.39Å; S184-R220 PolarHBondContact N-O 3.06Å; M191-R220 HydrophobicContact CG-CB 4.44Å; M191-R220 VanDerWaalsContact SD-CD 3.54Å; R220-Y222 HydrophobicContact CG-CD1 3.68Å; R220-Y222 HydrophobicContact CG-CE1 3.62Å
221D96.4Very high95.4Very high30 Ų3056.9 Ų56.916%0.1633%0.331CS..  trans-95111.1172.6-175.96.1000111.1H183 P187 A223 Y224 R232H183-D221 IonicContact CE1-OD1 3.77Å; H183-D221 PolarHBondContact CE1-OD1 3.08Å; H183-D221 VanDerWaalsContact CE1-OD1 3.22Å; H183-D221 IonicContact ND1-OD1 3.58Å; P187-D221 HydrophobicContact CB-CB 4.47Å; P187-D221 HydrophobicContact CG-CB 4.12Å; D221-A223 VanDerWaalsContact C-N 3.26Å; D221-A223 PolarHBondContact O-N 3.13Å; D221-A223 WeakPolarHBondContact OD1-CA 3.36Å; D221-A223 PolarHBondContact OD1-N 2.9Å; D221-Y224 VanDerWaalsContact CG-N 3.32Å; D221-Y224 PolarHBondContact O-N 3.36Å; D221-Y224 PolarHBondContact OD1-N 3.31Å; D221-Y224 VanDerWaalsContact OD2-CA 3.32Å; D221-Y224 WeakPolarHBondContact OD2-CA 3.38Å; D221-Y224 PolarHBondContact OD2-N 3.05Å; D221-R232 IonicContact OD1-CZ 2.77Å; D221-R232 IonicContact OD1-NH1 2.72Å; D221-R232 PolarHBondContact OD1-NH1 3.37Å; D221-R232 IonicContact OD1-NH2 3.97Å; D221-R232 PolarHBondContact OD1-NH2 2.8Å; D221-R232 IonicContact OD2-CZ 2.79Å; D221-R232 IonicContact OD2-NH1 3.31Å; D221-R232 PolarHBondContact OD2-NH1 3.46Å; D221-R232 IonicContact OD2-NH2 2.88Å; D221-R232 PolarHBondContact OD2-NH2 3.15Å; D221-R232 VanDerWaalsContact OD2-NH2 3.1Å
222Y95.4Very high95.3Very high17 Ų1754 Ų547%0.06731%0.312CS..THydrogen-bonded Turntrans-72.1-21.1176.2-67.5-6.3000112.7V181 H183 R220 W239V181-Y222 PolarHBondContact O-OH 3.06Å; H183-Y222 HydrophobicContact CB-CD1 4.22Å; H183-Y222 HydrophobicContact CB-CD2 3.57Å; H183-Y222 HydrophobicContact CB-CE1 4.28Å; H183-Y222 HydrophobicContact CB-CE2 3.7Å; H183-Y222 HydrophobicContact CB-CG 3.89Å; H183-Y222 PolarHBondContact ND1-N 3.34Å; H183-Y222 VanDerWaalsContact ND1-N 3.17Å; R220-Y222 HydrophobicContact CG-CD1 3.68Å; R220-Y222 HydrophobicContact CG-CE1 3.62Å; Y222-W239 HydrophobicContact CD2-CB 4.28Å; Y222-W239 AromaticContact CD2-CD1 3.95Å; Y222-W239 AromaticContact CD2-CD2 3.21Å; Y222-W239 HydrophobicContact CD2-CD2 3.21Å; Y222-W239 AromaticContact CD2-CE2 3.45Å; Y222-W239 VanDerWaalsContact CD2-CE2 3.45Å; Y222-W239 AromaticContact CD2-CE3 3.5Å; Y222-W239 HydrophobicContact CD2-CE3 3.5Å; Y222-W239 AromaticContact CD2-CG 3.57Å; Y222-W239 HydrophobicContact CD2-CG 3.57Å; Y222-W239 HydrophobicContact CD2-CH2 4.26Å; Y222-W239 AromaticContact CD2-CZ2 4Å; Y222-W239 HydrophobicContact CD2-CZ2 4Å; Y222-W239 HydrophobicContact CD2-CZ3 4.02Å; Y222-W239 AromaticContact CD2-NE1 3.85Å; Y222-W239 HydrophobicContact CE2-CB 4.19Å; Y222-W239 AromaticContact CE2-CD1 3.35Å; Y222-W239 AromaticContact CE2-CD2 3.48Å; Y222-W239 HydrophobicContact CE2-CD2 3.48Å; Y222-W239 VanDerWaalsContact CE2-CD2 3.48Å; Y222-W239 AromaticContact CE2-CE2 3.48Å; Y222-W239 VanDerWaalsContact CE2-CE2 3.48Å; Y222-W239 HydrophobicContact CE2-CE3 4.25Å; Y222-W239 AromaticContact CE2-CG 3.4Å; Y222-W239 HydrophobicContact CE2-CG 3.4Å; Y222-W239 VanDerWaalsContact CE2-CG 3.4Å; Y222-W239 HydrophobicContact CE2-CZ2 4.29Å; Y222-W239 AromaticContact CE2-NE1 3.35Å; Y222-W239 VanDerWaalsContact CE2-NE1 3.35Å; Y222-W239 HydrophobicContact CG-CD2 4.31Å; Y222-W239 HydrophobicContact CG-CE3 4.32Å; Y222-W239 HydrophobicContact CG-CZ3 4.45Å
223A94.9Very high95.2Very high0 Ų058.2 Ų58.20%033%0.328CS..THydrogen-bonded Turntrans-107.728.3177.300000111.9D221 G225 E226 R232 R235 L236D221-A223 VanDerWaalsContact C-N 3.26Å; D221-A223 PolarHBondContact O-N 3.13Å; D221-A223 WeakPolarHBondContact OD1-CA 3.36Å; D221-A223 PolarHBondContact OD1-N 2.9Å; A223-G225 PolarHBondContact O-N 3.49Å; A223-E226 WeakPolarHBondContact O-CB 3.31Å; A223-E226 PolarHBondContact O-N 3.06Å; A223-E226 VanDerWaalsContact O-N 3.08Å; A223-R232 HydrophobicContact CB-CG 3.72Å; A223-R232 PolarHBondContact O-NH1 3.07Å; A223-R232 VanDerWaalsContact O-NH1 3.14Å; A223-R235 HydrophobicContact CB-CB 4.14Å; A223-R235 PolarHBondContact O-NH1 3.46Å; A223-L236 HydrophobicContact CB-CD2 3.84Å; A223-L236 HydrophobicContact CB-CG 3.96Å
224Y90.8Very high95.2Very high153 Ų15351.2 Ų51.260%0.630%0.295SS*.THydrogen-bonded Turntrans-48137.3179.4-177.6-97.7000111.9D221 E226 R235D221-Y224 VanDerWaalsContact CG-N 3.32Å; D221-Y224 PolarHBondContact O-N 3.36Å; D221-Y224 PolarHBondContact OD1-N 3.31Å; D221-Y224 VanDerWaalsContact OD2-CA 3.32Å; D221-Y224 WeakPolarHBondContact OD2-CA 3.38Å; D221-Y224 PolarHBondContact OD2-N 3.05Å; Y224-E226 VanDerWaalsContact C-N 3.26Å; Y224-E226 PolarHBondContact O-N 2.85Å; Y224-R235 PolarHBondContact O-NH1 3.07Å; Y224-R235 VanDerWaalsContact O-NH1 3.08Å
225G89.6Confident95.2Very high62 Ų6251.2 Ų51.264%0.63928%0.282SS*.THydrogen-bonded Turntrans79.1-10.4-179.100000115.9A223 T227A223-G225 PolarHBondContact O-N 3.49Å; G225-T227 PolarHBondContact O-N 3.22Å
226E93.6Very high95.4Very high40 Ų4049.4 Ų49.419%0.18726%0.259CS..  trans-83.4116.8175.5-175.356.1-101.900111.2A223 Y224 N228 L231 R232A223-E226 WeakPolarHBondContact O-CB 3.31Å; A223-E226 PolarHBondContact O-N 3.06Å; A223-E226 VanDerWaalsContact O-N 3.08Å; Y224-E226 VanDerWaalsContact C-N 3.26Å; Y224-E226 PolarHBondContact O-N 2.85Å; E226-N228 VanDerWaalsContact OE1-CB 3.3Å; E226-N228 WeakPolarHBondContact OE1-CB 3.46Å; E226-N228 PolarHBondContact OE1-N 3.29Å; E226-L231 HydrophobicContact CG-CB 3.86Å; E226-R232 HydrophobicContact CB-CB 4.48Å; E226-R232 HydrophobicContact CG-CB 3.98Å
227T93.6Very high95.3Very high131 Ų13147.1 Ų47.180%0.80425%0.247SC*.  trans-98.5-19.2-178.9570000112.7G225 P229G225-T227 PolarHBondContact O-N 3.22Å; T227-P229 VanDerWaalsContact O-CD 3.31Å; T227-P229 WeakPolarHBondContact O-CD 3.45Å
228N94.9Very high95.3Very high74 Ų7444.2 Ų44.240%0.39623%0.234SC..  trans-78.6117177.2-178.6-45000109.8E226 L230 L231 R232E226-N228 VanDerWaalsContact OE1-CB 3.3Å; E226-N228 WeakPolarHBondContact OE1-CB 3.46Å; E226-N228 PolarHBondContact OE1-N 3.29Å; N228-L230 VanDerWaalsContact C-N 3.27Å; N228-L230 PolarHBondContact O-N 2.98Å; N228-L230 WeakPolarHBondContact OD1-CB 3.48Å; N228-L230 PolarHBondContact OD1-N 3.44Å; N228-L231 HydrophobicContact CB-CB 4.03Å; N228-L231 HydrophobicContact CB-CD1 3.98Å; N228-L231 HydrophobicContact CB-CG 4.07Å; N228-L231 PolarHBondContact O-N 3.49Å; N228-L231 PolarHBondContact OD1-N 3.43Å; N228-R232 WeakPolarHBondContact O-CB 3.48Å; N228-R232 PolarHBondContact O-N 3.08Å
229P94.9Very high95.1Very high99 Ų9946.9 Ų46.964%0.64324%0.244SC*.Hα-helixtrans-59.5-34.9-175.3-25.735.3000114T227 R233T227-P229 VanDerWaalsContact O-CD 3.31Å; T227-P229 WeakPolarHBondContact O-CD 3.45Å; P229-R233 WeakPolarHBondContact O-CG 3.3Å; P229-R233 PolarHBondContact O-N 3.12Å; P229-R233 VanDerWaalsContact O-N 3.09Å
230L95.5Very high95Very high57 Ų5750.5 Ų50.530%0.29826%0.262SS..Hα-helixtrans-72.4-43.2179.4179.160000111.4N228 R232 R233 C234 L244 V247 P378N228-L230 VanDerWaalsContact C-N 3.27Å; N228-L230 PolarHBondContact O-N 2.98Å; N228-L230 WeakPolarHBondContact OD1-CB 3.48Å; N228-L230 PolarHBondContact OD1-N 3.44Å; L230-R232 VanDerWaalsContact C-N 3.29Å; L230-R232 PolarHBondContact O-N 3.49Å; L230-R233 PolarHBondContact O-N 3.16Å; L230-C234 PolarHBondContact O-N 3.41Å; L230-C234 VanDerWaalsContact O-N 3.11Å; L230-C234 PolarHBondContact O-SG 3.38Å; L230-L244 HydrophobicContact CD1-CD2 4.22Å; L230-V247 HydrophobicContact CD1-CG2 3.75Å; L230-V247 HydrophobicContact CD2-CG2 4.26Å; L230-P378 HydrophobicContact CD1-CB 4.3Å; L230-P378 HydrophobicContact CD2-CB 3.8Å; L230-P378 HydrophobicContact CD2-CG 3.73Å; L230-P378 HydrophobicContact CG-CB 3.96Å; L230-P378 HydrophobicContact CG-CG 3.74Å
231L95.4Very high94.7Very high26 Ų2657.1 Ų57.114%0.13629%0.293CS..Hα-helixtrans-65.8-35.8174.8-67.5179.8000111.3E226 N228 C234 R235 L377 P378E226-L231 HydrophobicContact CG-CB 3.86Å; N228-L231 HydrophobicContact CB-CB 4.03Å; N228-L231 HydrophobicContact CB-CD1 3.98Å; N228-L231 HydrophobicContact CB-CG 4.07Å; N228-L231 PolarHBondContact O-N 3.49Å; N228-L231 PolarHBondContact OD1-N 3.43Å; L231-C234 WeakPolarHBondContact O-CB 3.31Å; L231-C234 PolarHBondContact O-N 2.93Å; L231-R235 WeakPolarHBondContact O-CG 3.34Å; L231-R235 PolarHBondContact O-N 3.41Å; L231-L377 HydrophobicContact CD2-CB 4.02Å; L231-P378 HydrophobicContact CD2-CG 3.92Å
232R95.8Very high94.5Very high40 Ų4057 Ų5715%0.15129%0.293CS..Hα-helixtrans-59.8-49.8175.5-165.6-179.9171.875.97.4111.3D185 D221 A223 E226 N228 L230 C234 R235 L236D185-R232 IonicContact OD1-CZ 3.08Å; D185-R232 VanDerWaalsContact OD1-CZ 3.25Å; D185-R232 IonicContact OD1-NE 3.73Å; D185-R232 PolarHBondContact OD1-NE 3.26Å; D185-R232 IonicContact OD1-NH2 3.62Å; D185-R232 PolarHBondContact OD1-NH2 2.87Å; D221-R232 IonicContact OD1-CZ 2.77Å; D221-R232 IonicContact OD1-NH1 2.72Å; D221-R232 PolarHBondContact OD1-NH1 3.37Å; D221-R232 IonicContact OD1-NH2 3.97Å; D221-R232 PolarHBondContact OD1-NH2 2.8Å; D221-R232 IonicContact OD2-CZ 2.79Å; D221-R232 IonicContact OD2-NH1 3.31Å; D221-R232 PolarHBondContact OD2-NH1 3.46Å; D221-R232 IonicContact OD2-NH2 2.88Å; D221-R232 PolarHBondContact OD2-NH2 3.15Å; D221-R232 VanDerWaalsContact OD2-NH2 3.1Å; A223-R232 HydrophobicContact CB-CG 3.72Å; A223-R232 PolarHBondContact O-NH1 3.07Å; A223-R232 VanDerWaalsContact O-NH1 3.14Å; E226-R232 HydrophobicContact CB-CB 4.48Å; E226-R232 HydrophobicContact CG-CB 3.98Å; N228-R232 WeakPolarHBondContact O-CB 3.48Å; N228-R232 PolarHBondContact O-N 3.08Å; L230-R232 VanDerWaalsContact C-N 3.29Å; L230-R232 PolarHBondContact O-N 3.49Å; R232-C234 VanDerWaalsContact C-N 3.29Å; R232-C234 PolarHBondContact O-N 3.21Å; R232-R235 PolarHBondContact O-N 3.09Å; R232-R235 VanDerWaalsContact O-N 3.15Å; R232-L236 HydrophobicContact CG-CD1 4.27Å; R232-L236 WeakPolarHBondContact O-CG 3.3Å; R232-L236 PolarHBondContact O-N 3.4Å
233R96Very high94.3Very high95 Ų9559.2 Ų59.236%0.35831%0.306SS..Hα-helixtrans-52.8-46.9172.2-72.6168.862.3-167.41.6111.8P229 L230 R235 L236 L237 D242 L244P229-R233 WeakPolarHBondContact O-CG 3.3Å; P229-R233 PolarHBondContact O-N 3.12Å; P229-R233 VanDerWaalsContact O-N 3.09Å; L230-R233 PolarHBondContact O-N 3.16Å; R233-R235 PolarHBondContact O-N 2.96Å; R233-L236 PolarHBondContact O-N 3.05Å; R233-L237 PolarHBondContact O-N 2.96Å; R233-D242 IonicContact CZ-OD1 2.84Å; R233-D242 IonicContact CZ-OD2 2.89Å; R233-D242 VanDerWaalsContact CZ-OD2 3.26Å; R233-D242 IonicContact NE-OD1 2.56Å; R233-D242 IonicContact NE-OD2 2.71Å; R233-D242 PolarHBondContact NE-OD2 3.49Å; R233-D242 VanDerWaalsContact NH2-CG 3.26Å; R233-D242 IonicContact NH2-OD1 2.9Å; R233-D242 PolarHBondContact NH2-OD1 3.07Å; R233-D242 IonicContact NH2-OD2 3.9Å; R233-D242 PolarHBondContact NH2-OD2 3.47Å; R233-L244 HydrophobicContact CB-CD2 4.42Å
234C97Very high94.2Very high0 Ų059.2 Ų59.20%031%0.306CS..Hα-helixtrans-63.8-39.7179-64.70000113.1L230 L231 R232 L236 L237 L377 I381L230-C234 PolarHBondContact O-N 3.41Å; L230-C234 VanDerWaalsContact O-N 3.11Å; L230-C234 PolarHBondContact O-SG 3.38Å; L231-C234 WeakPolarHBondContact O-CB 3.31Å; L231-C234 PolarHBondContact O-N 2.93Å; R232-C234 VanDerWaalsContact C-N 3.29Å; R232-C234 PolarHBondContact O-N 3.21Å; C234-L236 VanDerWaalsContact C-N 3.3Å; C234-L236 PolarHBondContact O-N 3.05Å; C234-L237 WeakPolarHBondContact O-CB 3.4Å; C234-L237 PolarHBondContact O-N 3.18Å; C234-L377 HydrophobicContact CB-CB 4.43Å; C234-L377 HydrophobicContact CB-CD2 3.42Å; C234-L377 VanDerWaalsContact CB-CD2 3.42Å; C234-L377 HydrophobicContact CB-CG 3.89Å; C234-I381 HydrophobicContact CB-CD1 3.47Å; C234-I381 VanDerWaalsContact CB-CD1 3.47Å
235R95.5Very high94.1Very high44 Ų4458.9 Ų58.917%0.16631%0.309CS..Hα-helixtrans-67.7-30177.4-74.7-177.666.9-170.4-6.5112.5A223 Y224 L231 R232 R233 L237 P238A223-R235 HydrophobicContact CB-CB 4.14Å; A223-R235 PolarHBondContact O-NH1 3.46Å; Y224-R235 PolarHBondContact O-NH1 3.07Å; Y224-R235 VanDerWaalsContact O-NH1 3.08Å; L231-R235 WeakPolarHBondContact O-CG 3.34Å; L231-R235 PolarHBondContact O-N 3.41Å; R232-R235 PolarHBondContact O-N 3.09Å; R232-R235 VanDerWaalsContact O-N 3.15Å; R233-R235 PolarHBondContact O-N 2.96Å; R235-L237 VanDerWaalsContact C-N 3.34Å; R235-P238 VanDerWaalsContact O-CD 3.29Å; R235-P238 WeakPolarHBondContact O-CD 3.3Å
236L96.9Very high94.1Very high13 Ų1360 Ų607%0.06832%0.322CS..Hα-helixtrans-81.7-9.6-179.1-68.1173.7000114H183 A223 R232 R233 C234 P238 W239 I240H183-L236 WeakPolarHBondContact NE2-CD1 3.39Å; H183-L236 WeakPolarHBondContact NE2-CD2 3.14Å; A223-L236 HydrophobicContact CB-CD2 3.84Å; A223-L236 HydrophobicContact CB-CG 3.96Å; R232-L236 HydrophobicContact CG-CD1 4.27Å; R232-L236 WeakPolarHBondContact O-CG 3.3Å; R232-L236 PolarHBondContact O-N 3.4Å; R233-L236 PolarHBondContact O-N 3.05Å; C234-L236 VanDerWaalsContact C-N 3.3Å; C234-L236 PolarHBondContact O-N 3.05Å; L236-P238 VanDerWaalsContact C-N 3.34Å; L236-W239 PolarHBondContact O-N 2.74Å; L236-I240 HydrophobicContact CB-CD1 4.49Å; L236-I240 HydrophobicContact CD1-CD1 4.45Å; L236-I240 PolarHBondContact O-N 3.27Å
237L96.3Very high94.1Very high17 Ų1759.2 Ų59.29%0.08932%0.319CS..THydrogen-bonded Turntrans-50.2-36.6-178.8-84.9168.6000117.1R233 C234 R235 W239 I240 D242 I381 I419R233-L237 PolarHBondContact O-N 2.96Å; C234-L237 WeakPolarHBondContact O-CB 3.4Å; C234-L237 PolarHBondContact O-N 3.18Å; R235-L237 VanDerWaalsContact C-N 3.34Å; L237-W239 PolarHBondContact O-N 2.89Å; L237-W239 VanDerWaalsContact O-N 3.1Å; L237-I240 VanDerWaalsContact CA-O 3.3Å; L237-I240 WeakPolarHBondContact CA-O 3.33Å; L237-D242 HydrophobicContact CD2-CB 3.72Å; L237-D242 VanDerWaalsContact CD2-N 3.34Å; L237-D242 WeakPolarHBondContact CD2-O 3.5Å; L237-I381 HydrophobicContact CD1-CB 4.43Å; L237-I381 HydrophobicContact CD1-CD1 3.47Å; L237-I381 VanDerWaalsContact CD1-CD1 3.47Å; L237-I381 HydrophobicContact CD1-CG1 4.08Å; L237-I381 HydrophobicContact CD1-CG2 3.63Å; L237-I419 HydrophobicContact CB-CD1 3.64Å; L237-I419 HydrophobicContact CD1-CD1 3.75Å; L237-I419 HydrophobicContact CG-CD1 4.37Å
238P95.4Very high93.9Very high1 Ų156 Ų561%0.00630%0.302CS..THydrogen-bonded Turntrans-57.6-24.7175.7-25.234.9000113.6K152 R235 L236 D416 I419 R420K152-P238 WeakPolarHBondContact CD-O 3.36Å; K152-P238 WeakPolarHBondContact CE-O 3.35Å; K152-P238 PolarHBondContact NZ-O 3.25Å; K152-P238 VanDerWaalsContact NZ-O 3.11Å; R235-P238 VanDerWaalsContact O-CD 3.29Å; R235-P238 WeakPolarHBondContact O-CD 3.3Å; L236-P238 VanDerWaalsContact C-N 3.34Å; P238-D416 HydrophobicContact CB-CB 4.01Å; P238-D416 HydrophobicContact CG-CB 4.21Å; P238-I419 HydrophobicContact CG-CG2 4.34Å; P238-R420 HydrophobicContact CG-CG 4.33Å
239W94.2Very high93.5Very high57 Ų5754.3 Ų54.322%0.21630%0.296CS..THydrogen-bonded Turntrans-114.5-35-178.8-54.4-86.5000113.9K152 Y222 L236 L237K152-W239 WeakPolarHBondContact O-CZ2 3.31Å; K152-W239 PolarHBondContact O-NE1 3.44Å; Y222-W239 HydrophobicContact CD2-CB 4.28Å; Y222-W239 AromaticContact CD2-CD1 3.95Å; Y222-W239 AromaticContact CD2-CD2 3.21Å; Y222-W239 HydrophobicContact CD2-CD2 3.21Å; Y222-W239 AromaticContact CD2-CE2 3.45Å; Y222-W239 VanDerWaalsContact CD2-CE2 3.45Å; Y222-W239 AromaticContact CD2-CE3 3.5Å; Y222-W239 HydrophobicContact CD2-CE3 3.5Å; Y222-W239 AromaticContact CD2-CG 3.57Å; Y222-W239 HydrophobicContact CD2-CG 3.57Å; Y222-W239 HydrophobicContact CD2-CH2 4.26Å; Y222-W239 AromaticContact CD2-CZ2 4Å; Y222-W239 HydrophobicContact CD2-CZ2 4Å; Y222-W239 HydrophobicContact CD2-CZ3 4.02Å; Y222-W239 AromaticContact CD2-NE1 3.85Å; Y222-W239 HydrophobicContact CE2-CB 4.19Å; Y222-W239 AromaticContact CE2-CD1 3.35Å; Y222-W239 AromaticContact CE2-CD2 3.48Å; Y222-W239 HydrophobicContact CE2-CD2 3.48Å; Y222-W239 VanDerWaalsContact CE2-CD2 3.48Å; Y222-W239 AromaticContact CE2-CE2 3.48Å; Y222-W239 VanDerWaalsContact CE2-CE2 3.48Å; Y222-W239 HydrophobicContact CE2-CE3 4.25Å; Y222-W239 AromaticContact CE2-CG 3.4Å; Y222-W239 HydrophobicContact CE2-CG 3.4Å; Y222-W239 VanDerWaalsContact CE2-CG 3.4Å; Y222-W239 HydrophobicContact CE2-CZ2 4.29Å; Y222-W239 AromaticContact CE2-NE1 3.35Å; Y222-W239 VanDerWaalsContact CE2-NE1 3.35Å; Y222-W239 HydrophobicContact CG-CD2 4.31Å; Y222-W239 HydrophobicContact CG-CE3 4.32Å; Y222-W239 HydrophobicContact CG-CZ3 4.45Å; L236-W239 PolarHBondContact O-N 2.74Å; L237-W239 PolarHBondContact O-N 2.89Å; L237-W239 VanDerWaalsContact O-N 3.1Å
240I94.8Very high92.9Very high87 Ų8752.5 Ų52.545%0.44629%0.29SS..SBendtrans-120.9113.7-176.2-61172.3000108.7L236 L237L236-I240 HydrophobicContact CB-CD1 4.49Å; L236-I240 HydrophobicContact CD1-CD1 4.45Å; L236-I240 PolarHBondContact O-N 3.27Å; L237-I240 VanDerWaalsContact CA-O 3.3Å; L237-I240 WeakPolarHBondContact CA-O 3.33Å
241H91.4Very high92.2Very high156 Ų15651 Ų5172%0.72228%0.283SS*.  trans-63.9137.2178.9-179.9-87.4000111.7
242D92.3Very high91.7Very high28 Ų2855 Ų5515%0.1531%0.308CS..  trans-150131.5176.2-164.3-39.4000109.1R233 L237 L244 Q385R233-D242 IonicContact CZ-OD1 2.84Å; R233-D242 IonicContact CZ-OD2 2.89Å; R233-D242 VanDerWaalsContact CZ-OD2 3.26Å; R233-D242 IonicContact NE-OD1 2.56Å; R233-D242 IonicContact NE-OD2 2.71Å; R233-D242 PolarHBondContact NE-OD2 3.49Å; R233-D242 VanDerWaalsContact NH2-CG 3.26Å; R233-D242 IonicContact NH2-OD1 2.9Å; R233-D242 PolarHBondContact NH2-OD1 3.07Å; R233-D242 IonicContact NH2-OD2 3.9Å; R233-D242 PolarHBondContact NH2-OD2 3.47Å; L237-D242 HydrophobicContact CD2-CB 3.72Å; L237-D242 VanDerWaalsContact CD2-N 3.34Å; L237-D242 WeakPolarHBondContact CD2-O 3.5Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 WeakPolarHBondContact OD1-CA 3.18Å; D242-L244 PolarHBondContact OD1-N 2.95Å; D242-Q385 PolarHBondContact O-NE2 3.19Å
243D91.1Very high91.4Very high64 Ų6455.2 Ų55.234%0.34231%0.311SS..  trans-88.9-0.7179.862.88.9000113.5E245 K382 Q385D243-E245 VanDerWaalsContact C-N 3.26Å; D243-E245 PolarHBondContact O-N 2.9Å; D243-E245 WeakPolarHBondContact OD1-CG 3.49Å; D243-E245 PolarHBondContact OD1-N 3.06Å; D243-K382 PolarHBondContact O-NZ 3.42Å; D243-Q385 PolarHBondContact O-OE1 3.41Å; D243-Q385 VanDerWaalsContact O-OE1 3.1Å
244L92.9Very high91.1Very high0 Ų051.8 Ų51.80%030%0.301CS..  trans47.848.5-175.8-60.7-177.5000111.8L230 R233 D242 G246 V247 I381L230-L244 HydrophobicContact CD1-CD2 4.22Å; R233-L244 HydrophobicContact CB-CD2 4.42Å; D242-L244 VanDerWaalsContact C-N 3.31Å; D242-L244 WeakPolarHBondContact OD1-CA 3.18Å; D242-L244 PolarHBondContact OD1-N 2.95Å; L244-G246 PolarHBondContact O-N 3.48Å; L244-V247 HydrophobicContact CB-CB 4.09Å; L244-V247 HydrophobicContact CB-CG2 3.84Å; L244-V247 WeakPolarHBondContact O-CB 2.98Å; L244-V247 PolarHBondContact O-N 3.19Å; L244-V247 VanDerWaalsContact O-N 3.11Å; L244-I381 HydrophobicContact CD1-CB 3.65Å; L244-I381 HydrophobicContact CD1-CD1 4.07Å; L244-I381 HydrophobicContact CD1-CG2 3.48Å; L244-I381 VanDerWaalsContact CD1-CG2 3.48Å; L244-I381 HydrophobicContact CG-CG2 4.32Å
245E89.4Confident90.9Very high145 Ų14554.9 Ų54.968%0.67833%0.326SS*.THydrogen-bonded Turntrans-48.3135.9170.4-90.9-176.1-177.700111.9D243 V247D243-E245 VanDerWaalsContact C-N 3.26Å; D243-E245 PolarHBondContact O-N 2.9Å; D243-E245 WeakPolarHBondContact OD1-CG 3.49Å; D243-E245 PolarHBondContact OD1-N 3.06Å; E245-V247 VanDerWaalsContact C-N 3.28Å; E245-V247 PolarHBondContact O-N 3.44Å
246G89.3Confident90.9Very high87 Ų8755.8 Ų55.890%0.89734%0.335SS*.THydrogen-bonded Turntrans81.1-9.9-177.800000115.9L244L244-G246 PolarHBondContact O-N 3.48Å
247V93.1Very high90.8Very high22 Ų2258.9 Ų58.913%0.13336%0.357CS..  trans-79.6135.4174.8-179.30000110.4L230 L244 E245 P378 K382L230-V247 HydrophobicContact CD1-CG2 3.75Å; L230-V247 HydrophobicContact CD2-CG2 4.26Å; L244-V247 HydrophobicContact CB-CB 4.09Å; L244-V247 HydrophobicContact CB-CG2 3.84Å; L244-V247 WeakPolarHBondContact O-CB 2.98Å; L244-V247 PolarHBondContact O-N 3.19Å; L244-V247 VanDerWaalsContact O-N 3.11Å; E245-V247 VanDerWaalsContact C-N 3.28Å; E245-V247 PolarHBondContact O-N 3.44Å; V247-P378 HydrophobicContact CG1-CB 3.73Å; V247-P378 WeakPolarHBondContact CG1-O 3.42Å; V247-P378 HydrophobicContact CG2-CB 4.45Å; V247-K382 HydrophobicContact CB-CB 4.49Å; V247-K382 HydrophobicContact CG1-CB 4.17Å; V247-K382 WeakPolarHBondContact O-CG 3.49Å
248S89.9Confident90.7Very high63 Ų6359.7 Ų59.744%0.44136%0.359SS..  trans-79145.7173.8-178.60000110.9A250 H379S248-A250 WeakPolarHBondContact OG-CB 3.44Å; S248-A250 PolarHBondContact OG-N 3.39Å; S248-A250 VanDerWaalsContact OG-N 3.08Å; S248-H379 WeakPolarHBondContact O-CA 3.28Å; S248-H379 PolarHBondContact O-CD2 3.45Å
249S86Confident90.7Very high40 Ų4059.8 Ų59.828%0.2836%0.36SS..  trans-90.9-2.7168.665.10000113.3
250A83.3Confident90.8Very high61 Ų6160.8 Ų60.850%0.50437%0.367SS..  trans-83.1138.2179.200000110.4S248 H379S248-A250 WeakPolarHBondContact OG-CB 3.44Å; S248-A250 PolarHBondContact OG-N 3.39Å; S248-A250 VanDerWaalsContact OG-N 3.08Å; A250-H379 PolarHBondContact O-CD2 3.44Å; A250-H379 VanDerWaalsContact O-CD2 3.22Å
251V81.4Confident90.7Very high25 Ų2558.6 Ų58.615%0.15236%0.361CS..  trans-116.4136.5174.2-1790000108.7H356 F371 E376 H379V251-H356 PolarHBondContact O-ND1 3.19Å; V251-F371 HydrophobicContact CG2-CD1 3.48Å; V251-F371 VanDerWaalsContact CG2-CD1 3.48Å; V251-F371 HydrophobicContact CG2-CE1 3.35Å; V251-F371 HydrophobicContact CG2-CZ 4.43Å; V251-E376 HydrophobicContact CG1-CG 4.32Å; V251-E376 VanDerWaalsContact CG1-OE1 3.3Å; V251-E376 WeakPolarHBondContact CG1-OE1 3.49Å; V251-H379 HydrophobicContact CG2-CB 3.91Å
252T84.1Confident90.8Very high110 Ų11052.4 Ų52.468%0.67533%0.334SS*.  trans-116.2170.2175.658.10000109.7
253E89.4Confident90.8Very high45 Ų4552.8 Ų52.821%0.2134%0.34CS..PPolyproline II helixtrans-51.6134.3169-171.5178.2171.100109.8Y259 H356 R357 R544E253-Y259 HydrophobicContact CG-CE2 4.33Å; E253-Y259 WeakPolarHBondContact CG-OH 3.47Å; E253-Y259 PolarHBondContact OE1-OH 3.43Å; E253-H356 HydrophobicContact CB-CB 4.33Å; E253-R357 IonicContact OE1-CZ 2.81Å; E253-R357 VanDerWaalsContact OE1-CZ 3.22Å; E253-R357 IonicContact OE1-NE 3.79Å; E253-R357 PolarHBondContact OE1-NE 2.93Å; E253-R357 IonicContact OE1-NH2 3.64Å; E253-R357 PolarHBondContact OE1-NH2 3.06Å; E253-R357 WeakPolarHBondContact OE2-CB 3.48Å; E253-R357 WeakPolarHBondContact OE2-CG 3.43Å; E253-R357 IonicContact OE2-NE 3.13Å; E253-R357 PolarHBondContact OE2-NE 3.16Å; E253-R544 IonicContact OE1-CZ 3.66Å; E253-R544 IonicContact OE1-NH1 3.39Å; E253-R544 PolarHBondContact OE1-NH1 3.25Å
254P90.1Very high90.9Very high22 Ų2258.9 Ų58.914%0.14336%0.358CS..PPolyproline II helixtrans-56155.4174.3-25.734.8000112.3Y258 A353P254-Y258 HydrophobicContact CB-CD1 3.66Å; P254-Y258 HydrophobicContact CB-CE1 4.34Å; P254-Y258 HydrophobicContact CB-CG 3.8Å; P254-Y258 HydrophobicContact CG-CD1 3.99Å; P254-Y258 HydrophobicContact CG-CE1 4.18Å; P254-Y258 HydrophobicContact CG-CG 4.44Å; P254-A353 HydrophobicContact CG-CB 3.76Å
255A92.5Very high90.8Very high65 Ų6565.9 Ų65.954%0.53739%0.391SS..PPolyproline II helixtrans-64155.8175.100000111.9S257 Y258A255-S257 PolarHBondContact O-N 2.93Å; A255-S257 VanDerWaalsContact O-N 3.08Å; A255-Y258 WeakPolarHBondContact O-CB 3.41Å; A255-Y258 PolarHBondContact O-N 3.42Å
256D95.2Very high90.8Very high64 Ų6461 Ų6134%0.34237%0.37SS..Hα-helixtrans-53.6-33.7-179.2-72.99.7000113.7Y258 Y259 E260 R544 Y548D256-Y258 PolarHBondContact O-N 2.72Å; D256-Y258 VanDerWaalsContact O-N 3.17Å; D256-Y259 PolarHBondContact O-N 2.71Å; D256-Y259 VanDerWaalsContact O-N 3.12Å; D256-E260 WeakPolarHBondContact O-CG 3.26Å; D256-E260 PolarHBondContact O-N 3.44Å; D256-R544 IonicContact OD1-CZ 2.97Å; D256-R544 IonicContact OD1-NH1 3.39Å; D256-R544 PolarHBondContact OD1-NH1 3.29Å; D256-R544 IonicContact OD1-NH2 3.14Å; D256-R544 PolarHBondContact OD1-NH2 3.42Å; D256-R544 IonicContact OD2-NH2 2.8Å; D256-R544 PolarHBondContact OD2-NH2 3.08Å; D256-R544 VanDerWaalsContact OD2-NH2 3.12Å; D256-Y548 HydrophobicContact CB-CD1 4.23Å; D256-Y548 HydrophobicContact CB-CE1 3.46Å; D256-Y548 VanDerWaalsContact CB-CE1 3.46Å
257S95.6Very high91Very high77 Ų7764.3 Ų64.354%0.53836%0.36SS..Hα-helixtrans-59.1-26.3176.356.70000114A255 A261A255-S257 PolarHBondContact O-N 2.93Å; A255-S257 VanDerWaalsContact O-N 3.08Å; S257-A261 WeakPolarHBondContact O-CB 3.3Å; S257-A261 PolarHBondContact O-N 3.41Å
258Y93.9Very high91.1Very high34 Ų3464.6 Ų64.613%0.13336%0.359CS..Hα-helixtrans-65.9-50.6174.1171.7-102.6000111.1P254 A255 D256 E260 A261 I262 D349 T375P254-Y258 HydrophobicContact CB-CD1 3.66Å; P254-Y258 HydrophobicContact CB-CE1 4.34Å; P254-Y258 HydrophobicContact CB-CG 3.8Å; P254-Y258 HydrophobicContact CG-CD1 3.99Å; P254-Y258 HydrophobicContact CG-CE1 4.18Å; P254-Y258 HydrophobicContact CG-CG 4.44Å; A255-Y258 WeakPolarHBondContact O-CB 3.41Å; A255-Y258 PolarHBondContact O-N 3.42Å; D256-Y258 PolarHBondContact O-N 2.72Å; D256-Y258 VanDerWaalsContact O-N 3.17Å; Y258-E260 VanDerWaalsContact C-N 3.33Å; Y258-E260 PolarHBondContact O-N 3.38Å; Y258-A261 PolarHBondContact O-N 3.17Å; Y258-I262 HydrophobicContact CD1-CD1 3.98Å; Y258-I262 HydrophobicContact CD2-CD1 4.46Å; Y258-I262 HydrophobicContact CE1-CD1 3.54Å; Y258-I262 HydrophobicContact CE2-CD1 4.05Å; Y258-I262 HydrophobicContact CG-CD1 4.43Å; Y258-I262 WeakPolarHBondContact O-CG1 3.45Å; Y258-I262 PolarHBondContact O-N 3.47Å; Y258-D349 PolarHBondContact OH-OD2 3.08Å; Y258-T375 HydrophobicContact CD2-CG2 4.5Å
259Y94.8Very high91.4Very high3 Ų365.9 Ų65.91%0.01236%0.358CS..Hα-helixtrans-65.9-36.3177.4-61.6-80.4000112.1E253 D256 I262 A263 A353 Y548E253-Y259 HydrophobicContact CG-CE2 4.33Å; E253-Y259 WeakPolarHBondContact CG-OH 3.47Å; E253-Y259 PolarHBondContact OE1-OH 3.43Å; D256-Y259 PolarHBondContact O-N 2.71Å; D256-Y259 VanDerWaalsContact O-N 3.12Å; Y259-I262 PolarHBondContact O-N 2.84Å; Y259-A263 WeakPolarHBondContact O-CB 2.96Å; Y259-A263 PolarHBondContact O-N 2.56Å; Y259-A353 WeakPolarHBondContact OH-CB 3.25Å; Y259-Y548 AromaticContact CD2-CD1 3.89Å; Y259-Y548 HydrophobicContact CD2-CD1 3.89Å; Y259-Y548 AromaticContact CG-CD1 3.99Å; Y259-Y548 HydrophobicContact CG-CD1 3.99Å
260E95.7Very high91.9Very high79 Ų7966.9 Ų66.937%0.36936%0.36SS..Hα-helixtrans-66.1-36.2176-70.1166.5-169.400112.7D256 Y258 R264 P547 Y548D256-E260 WeakPolarHBondContact O-CG 3.26Å; D256-E260 PolarHBondContact O-N 3.44Å; Y258-E260 VanDerWaalsContact C-N 3.33Å; Y258-E260 PolarHBondContact O-N 3.38Å; E260-R264 WeakPolarHBondContact O-CB 3.39Å; E260-R264 PolarHBondContact O-N 2.84Å; E260-P547 HydrophobicContact CG-CG 4.46Å; E260-Y548 HydrophobicContact CG-CE1 4.26Å; E260-Y548 PolarHBondContact OE1-OH 3.28Å
261A94.1Very high92.6Very high40 Ų4065 Ų6533%0.33134%0.343SS..Hα-helixtrans-64-46.8173.700000110.8S257 Y258 A263 R264 E265S257-A261 WeakPolarHBondContact O-CB 3.3Å; S257-A261 PolarHBondContact O-N 3.41Å; Y258-A261 PolarHBondContact O-N 3.17Å; A261-A263 PolarHBondContact O-N 2.96Å; A261-R264 WeakPolarHBondContact O-CB 3.48Å; A261-R264 PolarHBondContact O-N 2.9Å; A261-E265 WeakPolarHBondContact O-CG 3.35Å; A261-E265 PolarHBondContact O-N 2.58Å
262I92.3Very high93.2Very high27 Ų2766 Ų6614%0.13835%0.349CS..Hα-helixtrans-59.4-47.3176.3-65.7166.4000111Y258 Y259 R264 E265 N266 N343Y258-I262 HydrophobicContact CD1-CD1 3.98Å; Y258-I262 HydrophobicContact CD2-CD1 4.46Å; Y258-I262 HydrophobicContact CE1-CD1 3.54Å; Y258-I262 HydrophobicContact CE2-CD1 4.05Å; Y258-I262 HydrophobicContact CG-CD1 4.43Å; Y258-I262 WeakPolarHBondContact O-CG1 3.45Å; Y258-I262 PolarHBondContact O-N 3.47Å; Y259-I262 PolarHBondContact O-N 2.84Å; I262-R264 VanDerWaalsContact C-N 3.27Å; I262-R264 PolarHBondContact O-N 3.06Å; I262-E265 PolarHBondContact O-N 2.96Å; I262-E265 VanDerWaalsContact O-N 3.17Å; I262-N266 WeakPolarHBondContact O-CB 3.13Å; I262-N266 PolarHBondContact O-N 2.89Å; I262-N343 WeakPolarHBondContact CG2-ND2 3.17Å
263A93.1Very high93.7Very high35 Ų3570 Ų7029%0.28936%0.36SS..Hα-helixtrans-59.8-39.117800000112.1Y259 A261 K267 P547Y259-A263 WeakPolarHBondContact O-CB 2.96Å; Y259-A263 PolarHBondContact O-N 2.56Å; A261-A263 PolarHBondContact O-N 2.96Å; A263-K267 PolarHBondContact O-N 3.49Å; A263-K267 VanDerWaalsContact O-N 3.13Å; A263-P547 HydrophobicContact CB-CB 3.71Å; A263-P547 HydrophobicContact CB-CG 4.23Å
264R93.6Very high93.9Very high192 Ų19268.9 Ų68.973%0.72536%0.355SS*.Hα-helixtrans-66.1-38.8176.4-170.5-176.1-56.71666.1112.4E260 A261 I262 K267E260-R264 WeakPolarHBondContact O-CB 3.39Å; E260-R264 PolarHBondContact O-N 2.84Å; A261-R264 WeakPolarHBondContact O-CB 3.48Å; A261-R264 PolarHBondContact O-N 2.9Å; I262-R264 VanDerWaalsContact C-N 3.27Å; I262-R264 PolarHBondContact O-N 3.06Å; R264-K267 WeakPolarHBondContact O-CG 3.32Å
265E91.1Very high93.7Very high147 Ų14775.5 Ų75.569%0.68738%0.384SS*.Hα-helixtrans-71.3-40.5177.3-73.1178.9-170.100112.2A261 I262 K267A261-E265 WeakPolarHBondContact O-CG 3.35Å; A261-E265 PolarHBondContact O-N 2.58Å; I262-E265 PolarHBondContact O-N 2.96Å; I262-E265 VanDerWaalsContact O-N 3.17Å; E265-K267 VanDerWaalsContact C-N 3.28Å; E265-K267 PolarHBondContact O-N 3.08Å
266N89Confident93.1Very high42 Ų4276.8 Ų76.823%0.22539%0.387CS..Hα-helixtrans-64.9-33.6177.7-72.8-7000112.1I262 E268 K322 N343I262-N266 WeakPolarHBondContact O-CB 3.13Å; I262-N266 PolarHBondContact O-N 2.89Å; N266-E268 VanDerWaalsContact C-N 3.27Å; N266-E268 HydrophobicContact CB-CG 4.26Å; N266-E268 PolarHBondContact O-N 3.29Å; N266-K322 WeakPolarHBondContact O-CD 3.4Å; N266-K322 WeakPolarHBondContact O-CE 3.33Å; N266-K322 PolarHBondContact O-NZ 3.5Å; N266-N343 PolarHBondContact ND2-ND2 2.8Å
267K93.2Very high92.3Very high158 Ų15876.1 Ų76.169%0.68739%0.387SS*.THydrogen-bonded Turntrans60.334.5-177.9-55.2173.2-176.6176.50112.8A263 R264 E265A263-K267 PolarHBondContact O-N 3.49Å; A263-K267 VanDerWaalsContact O-N 3.13Å; R264-K267 WeakPolarHBondContact O-CG 3.32Å; E265-K267 VanDerWaalsContact C-N 3.28Å; E265-K267 PolarHBondContact O-N 3.08Å
268E95Very high91.6Very high28 Ų2878.5 Ų78.513%0.13140%0.399CS..  trans-69.8138.3171.4-71.7176.7-15000110.8N266 H320 C341N266-E268 VanDerWaalsContact C-N 3.27Å; N266-E268 HydrophobicContact CB-CG 4.26Å; N266-E268 PolarHBondContact O-N 3.29Å; E268-H320 WeakPolarHBondContact CG-NE2 3.44Å; E268-H320 IonicContact OE1-CE1 2.63Å; E268-H320 PolarHBondContact OE1-CE1 2.78Å; E268-H320 IonicContact OE1-NE2 2.66Å; E268-H320 PolarHBondContact OE1-NE2 2.77Å; E268-H320 VanDerWaalsContact OE1-NE2 3.12Å; E268-C341 PolarHBondContact OE2-N 2.69Å
269Q96.3Very high91.1Very high89 Ų8978.9 Ų78.942%0.41640%0.404SS..  trans-100.7104.5170.5-58.2-178.613.200108.9K322 D323 Y324 R325Q269-K322 PolarHBondContact N-O 2.97Å; Q269-D323 PolarHBondContact NE2-OD1 3.19Å; Q269-Y324 WeakPolarHBondContact O-CB 3.25Å; Q269-Y324 PolarHBondContact O-N 2.71Å; Q269-R325 HydrophobicContact CB-CB 3.83Å; Q269-R325 PolarHBondContact O-N 3.06Å
270L96.8Very high90.7Very high61 Ų6182.3 Ų82.332%0.31943%0.427SS..PPolyproline II helixtrans-60.2144.1-177.4-60.2-178000112.4R325 P340 A546L270-R325 WeakPolarHBondContact O-CB 3.22Å; L270-R325 PolarHBondContact O-NH2 3.22Å; L270-P340 HydrophobicContact CD2-CB 4.11Å; L270-A546 HydrophobicContact CD1-CB 4.05Å; L270-A546 HydrophobicContact CD2-CB 4.38Å
271P96.6Very high90.2Very high21 Ų2186.8 Ų86.814%0.13645%0.446CS..PPolyproline II helixtrans-67.2161.2-177.228.9-34.4000112.7S328 P340 Y553P271-S328 WeakPolarHBondContact CA-OG 3.39Å; P271-P340 HydrophobicContact CG-CG 4.07Å; P271-Y553 HydrophobicContact CB-CD2 3.62Å; P271-Y553 HydrophobicContact CB-CE2 3.75Å; P271-Y553 HydrophobicContact CB-CG 4.13Å; P271-Y553 HydrophobicContact CG-CD2 3.73Å; P271-Y553 HydrophobicContact CG-CE2 4.37Å; P271-Y553 HydrophobicContact CG-CG 3.88Å
272V95.8Very high89.9Confident46 Ų4692.1 Ų92.128%0.27947%0.468SS..PPolyproline II helixtrans-85.9161.4162.7-60.90000110.6I274 S328 E329V272-I274 HydrophobicContact CG2-CG2 4.5Å; V272-I274 PolarHBondContact O-N 2.93Å; V272-S328 WeakPolarHBondContact CG2-OG 3.45Å; V272-S328 PolarHBondContact N-OG 3.39Å; V272-E329 HydrophobicContact CG1-CG 4.08Å; V272-E329 HydrophobicContact CG2-CG 3.74Å
273E93.6Very high90Very high196 Ų19694.5 Ų94.592%0.91648%0.478SS*.PPolyproline II helixtrans-65.1129.4173.8-170.7175-176.500110.2
274I93.5Very high90.2Very high21 Ų2197 Ų9711%0.10849%0.485CS..  trans-120.2151.9-179.559.6165000110.5V272 S328 P332 Y553 Q554 S555V272-I274 HydrophobicContact CG2-CG2 4.5Å; V272-I274 PolarHBondContact O-N 2.93Å; I274-S328 WeakPolarHBondContact CG2-O 3.34Å; I274-P332 HydrophobicContact CB-CB 4.12Å; I274-P332 HydrophobicContact CD1-CB 4.49Å; I274-P332 VanDerWaalsContact CD1-O 3.31Å; I274-P332 WeakPolarHBondContact CD1-O 3.34Å; I274-P332 HydrophobicContact CG2-CB 3.75Å; I274-Y553 HydrophobicContact CD1-CD2 4.31Å; I274-Y553 HydrophobicContact CD1-CE2 3.56Å; I274-Y553 HydrophobicContact CG1-CE2 4.03Å; I274-Q554 HydrophobicContact CD1-CB 4.16Å; I274-Q554 HydrophobicContact CG1-CB 4.22Å; I274-S555 WeakPolarHBondContact CD1-OG 3.24Å
275Q87Confident90.4Very high161 Ų16187.9 Ų87.975%0.75245%0.451SS*.  trans-70.2134.3174.6-70.6-62.7-31.700110.4S277Q275-S277 PolarHBondContact O-N 3.42Å
276P79.6Confident90.7Very high91 Ų9184 Ų8459%0.59143%0.432SS*.  trans-59.1122.2175.5-22.832.6000111.5Q554P276-Q554 HydrophobicContact CB-CG 4.32Å
277S78.1Confident91.2Very high50 Ų5082 Ų8235%0.3542%0.421SS..  trans-105.6130.3170.958.10000110.6Q275Q275-S277 PolarHBondContact O-N 3.42Å
278T79.9Confident91.4Very high127 Ų12775.4 Ų75.478%0.77939%0.393SS*.PPolyproline II helixtrans-93.4142.2170.651.80000110P280T278-P280 WeakPolarHBondContact O-CD 3.45Å
279V84.3Confident91.5Very high42 Ų4274.1 Ų74.126%0.25539%0.387SS..PPolyproline II helixtrans-72.9122173.8176.20000108.5K283 L285 M335 F610 L611V279-K283 HydrophobicContact CG1-CB 4.42Å; V279-L285 HydrophobicContact CG1-CD1 4.01Å; V279-L285 HydrophobicContact CG1-CD2 4.01Å; V279-L285 HydrophobicContact CG1-CG 4.19Å; V279-L285 HydrophobicContact CG2-CD1 4.29Å; V279-L285 HydrophobicContact CG2-CD2 4.38Å; V279-M335 HydrophobicContact CG2-CE 3.72Å; V279-M335 HydrophobicContact CG2-SD 4.22Å; V279-F610 WeakPolarHBondContact CG2-O 3.5Å; V279-L611 HydrophobicContact CG1-CD2 4.38Å
280P86.8Confident91.4Very high76 Ų7676.4 Ų76.449%0.49440%0.397SS..PPolyproline II helixtrans-58.7143.1176-23.133.3000111.4T278 D282 K283 R302T278-P280 WeakPolarHBondContact O-CD 3.45Å; P280-D282 PolarHBondContact O-N 2.96Å; P280-K283 HydrophobicContact CB-CB 4.05Å; P280-K283 HydrophobicContact CG-CB 4.21Å; P280-K283 HydrophobicContact CG-CD 4.47Å; P280-K283 PolarHBondContact O-N 2.64Å; P280-K283 VanDerWaalsContact O-N 3.07Å; P280-R302 PolarHBondContact O-NH2 3.44Å
281K83.9Confident91.3Very high173 Ų17374.5 Ų74.575%0.75239%0.387SS*.THydrogen-bonded Turntrans-59.3-19.6-175.4-75.4-168.9178.6-174.60114.9R302K281-R302 PolarHBondContact O-NH1 3.38Å; K281-R302 PolarHBondContact O-NH2 2.8Å
282D88.8Confident91.1Very high151 Ų15177.1 Ų77.181%0.80741%0.406SS*.THydrogen-bonded Turntrans-113.42.4-179.4-54.7-51.1000113.1P280 I284P280-D282 PolarHBondContact O-N 2.96Å; D282-I284 PolarHBondContact O-N 3.2Å
283K93.7Very high91Very high77 Ų7776.9 Ų76.934%0.33540%0.401SS..PPolyproline II helixtrans-73.3122.4-177.8-176.5176.3-179.8-173.40110.8V279 P280 L285 R302 D313V279-K283 HydrophobicContact CG1-CB 4.42Å; P280-K283 HydrophobicContact CB-CB 4.05Å; P280-K283 HydrophobicContact CG-CB 4.21Å; P280-K283 HydrophobicContact CG-CD 4.47Å; P280-K283 PolarHBondContact O-N 2.64Å; P280-K283 VanDerWaalsContact O-N 3.07Å; K283-L285 HydrophobicContact CD-CD2 3.92Å; K283-L285 HydrophobicContact CG-CD2 4.21Å; K283-R302 PolarHBondContact O-NE 2.87Å; K283-R302 PolarHBondContact O-NH2 3.49Å; K283-D313 WeakPolarHBondContact CE-OD1 3.21Å; K283-D313 WeakPolarHBondContact CE-OD2 3.11Å; K283-D313 VanDerWaalsContact NZ-CG 3.35Å; K283-D313 IonicContact NZ-OD1 2.79Å; K283-D313 PolarHBondContact NZ-OD1 3.11Å; K283-D313 IonicContact NZ-OD2 3.39Å
284I97.1Very high91.1Very high87 Ų8767.5 Ų67.545%0.44636%0.358SS..PPolyproline II helixtrans-78.6123.7164.6-57.9176.8000107.3D282 I304D282-I284 PolarHBondContact O-N 3.2Å; I284-I304 HydrophobicContact CG2-CB 4.34Å; I284-I304 HydrophobicContact CG2-CD1 4.17Å; I284-I304 HydrophobicContact CG2-CG1 3.96Å; I284-I304 HydrophobicContact CG2-CG2 3.69Å
285L97.6Very high91.2Very high1 Ų170.3 Ų70.31%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-90.7130.8-177.3-66.9172.7000110.6V279 K283 R302 F303 I304 D313 I314 M335 F610 L611V279-L285 HydrophobicContact CG1-CD1 4.01Å; V279-L285 HydrophobicContact CG1-CD2 4.01Å; V279-L285 HydrophobicContact CG1-CG 4.19Å; V279-L285 HydrophobicContact CG2-CD1 4.29Å; V279-L285 HydrophobicContact CG2-CD2 4.38Å; K283-L285 HydrophobicContact CD-CD2 3.92Å; K283-L285 HydrophobicContact CG-CD2 4.21Å; L285-R302 PolarHBondContact N-O 3.4Å; L285-F303 HydrophobicContact CB-CD1 3.93Å; L285-F303 HydrophobicContact CB-CE1 4.22Å; L285-F303 HydrophobicContact CD1-CD1 4.38Å; L285-F303 HydrophobicContact CD1-CE1 3.81Å; L285-F303 WeakPolarHBondContact O-CA 3.37Å; L285-I304 PolarHBondContact O-N 3.19Å; L285-D313 WeakPolarHBondContact CA-OD2 3.32Å; L285-D313 HydrophobicContact CB-CB 4.34Å; L285-D313 HydrophobicContact CD2-CB 3.78Å; L285-I314 HydrophobicContact CB-CD1 4.13Å; L285-I314 HydrophobicContact CD1-CD1 3.87Å; L285-M335 HydrophobicContact CD1-CE 3.94Å; L285-M335 HydrophobicContact CD2-CE 4.33Å; L285-F610 HydrophobicContact CD1-CB 4.3Å; L285-L611 HydrophobicContact CD1-CD2 3.81Å
286K98.4Very high91.6Very high66 Ų6668.3 Ų68.329%0.28736%0.362SS..EExtended strand (participates in β ladder)trans-81.4126.6172.7-70.1177.2168.1-160.30110.3I304 V306 E311 D313 I314K286-I304 CarbonylContact C-O 2.95Å; K286-I304 WeakPolarHBondContact CA-O 3.3Å; K286-I304 HydrophobicContact CG-CD1 3.86Å; K286-I304 HydrophobicContact CG-CG1 3.89Å; K286-V306 HydrophobicContact CB-CG1 3.82Å; K286-V306 HydrophobicContact CB-CG2 4.25Å; K286-V306 HydrophobicContact CD-CG1 3.94Å; K286-V306 HydrophobicContact CG-CG1 3.8Å; K286-E311 HydrophobicContact CD-CB 4.3Å; K286-E311 WeakPolarHBondContact CD-O 3.33Å; K286-E311 IonicContact NZ-OE2 3.25Å; K286-E311 PolarHBondContact NZ-OE2 3.1Å; K286-D313 PolarHBondContact N-OD2 3.16Å; K286-D313 WeakPolarHBondContact O-CA 3.41Å; K286-D313 PolarHBondContact O-N 2.86Å; K286-I314 PolarHBondContact O-N 3.12Å
287V98.6Very high92.4Very high0 Ų065.8 Ų65.80%034%0.343CS..EExtended strand (participates in β ladder)trans-115.2120.2-177.5-177.60000109.3L298 F303 I304 L305 V306 I314 F606V287-L298 HydrophobicContact CB-CD2 4.24Å; V287-L298 HydrophobicContact CG1-CD2 4.1Å; V287-L298 HydrophobicContact CG2-CD2 3.97Å; V287-F303 HydrophobicContact CG2-CB 4.05Å; V287-F303 HydrophobicContact CG2-CD1 3.83Å; V287-F303 HydrophobicContact CG2-CG 4.34Å; V287-I304 PolarHBondContact N-O 2.99Å; V287-L305 HydrophobicContact CB-CD2 4.25Å; V287-L305 HydrophobicContact CG1-CD2 4.32Å; V287-L305 WeakPolarHBondContact O-CA 3.27Å; V287-V306 PolarHBondContact O-N 2.95Å; V287-I314 WeakPolarHBondContact CA-O 3.2Å; V287-I314 HydrophobicContact CG2-CB 4.22Å; V287-I314 HydrophobicContact CG2-CD1 4.01Å; V287-F606 HydrophobicContact CB-CE1 4.47Å; V287-F606 HydrophobicContact CG1-CE1 3.72Å; V287-F606 HydrophobicContact CG1-CZ 4.03Å; V287-F606 HydrophobicContact CG2-CD1 4.36Å; V287-F606 HydrophobicContact CG2-CE1 3.87Å
288F98.3Very high93.4Very high20 Ų2064 Ų649%0.08833%0.33CS..EExtended strand (participates in β ladder)trans-98.2131.6167.6174.7-98.6000109.6Q290 V306 E307 E309 A312 I314 I315 W316F288-Q290 HydrophobicContact CE1-CG 4.45Å; F288-Q290 HydrophobicContact CZ-CG 4.15Å; F288-V306 HydrophobicContact CB-CG2 4.13Å; F288-E307 VanDerWaalsContact CE2-O 3.23Å; F288-E307 WeakPolarHBondContact CE2-O 3.2Å; F288-E309 HydrophobicContact CD1-CB 3.81Å; F288-E309 HydrophobicContact CD1-CG 3.68Å; F288-E309 HydrophobicContact CD2-CB 4.13Å; F288-E309 HydrophobicContact CE1-CB 3.86Å; F288-E309 HydrophobicContact CE1-CG 3.95Å; F288-E309 WeakPolarHBondContact CE1-OE2 3.19Å; F288-E309 HydrophobicContact CE2-CB 4.19Å; F288-E309 HydrophobicContact CG-CB 3.93Å; F288-E309 HydrophobicContact CG-CG 4.14Å; F288-E309 HydrophobicContact CZ-CB 4.05Å; F288-A312 HydrophobicContact CB-CB 3.59Å; F288-I314 PolarHBondContact N-O 2.97Å; F288-I315 HydrophobicContact CD1-CG2 4.43Å; F288-W316 PolarHBondContact O-N 2.97Å
289T97.1Very high94.2Very high1 Ų162.8 Ų62.81%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-160.9143.2175.2-173.20000111.3M291 V294 R295 L305 W316T289-M291 PolarHBondContact OG1-N 2.93Å; T289-M291 VanDerWaalsContact OG1-N 3.15Å; T289-V294 HydrophobicContact CG2-CB 3.87Å; T289-V294 HydrophobicContact CG2-CG1 3.81Å; T289-R295 HydrophobicContact CG2-CG 3.67Å; T289-L305 HydrophobicContact CG2-CD2 4.09Å; T289-W316 WeakPolarHBondContact CA-O 3.41Å; T289-W316 WeakPolarHBondContact CB-O 3.23Å; T289-W316 PolarHBondContact OG1-O 3.5Å
290Q94Very high94.8Very high136 Ų13662.4 Ų62.464%0.63632%0.318SS*.  trans-94.3-7.1171.9-60.8178.2-200112.4F288 S292F288-Q290 HydrophobicContact CE1-CG 4.45Å; F288-Q290 HydrophobicContact CZ-CG 4.15Å; Q290-S292 PolarHBondContact O-N 2.89Å
291M93.9Very high95.2Very high22 Ų2263.9 Ų63.911%0.10833%0.327CS..  trans-78112.8-177.2-64.8-179.47000110.8T289 Q293 V294 R295 W316 S588T289-M291 PolarHBondContact OG1-N 2.93Å; T289-M291 VanDerWaalsContact OG1-N 3.15Å; M291-Q293 PolarHBondContact O-N 3.21Å; M291-V294 HydrophobicContact CB-CB 4.29Å; M291-V294 HydrophobicContact CB-CG2 3.88Å; M291-V294 PolarHBondContact O-N 2.97Å; M291-V294 HydrophobicContact SD-CG2 4.34Å; M291-R295 WeakPolarHBondContact O-CG 3.48Å; M291-R295 PolarHBondContact O-N 2.82Å; M291-W316 VanDerWaalsContact SD-CD1 3.58Å; M291-W316 PolarHBondContact SD-NE1 2.74Å; M291-W316 VanDerWaalsContact SD-NE1 3.44Å; M291-S588 WeakPolarHBondContact CE-OG 3.4Å
292S93.5Very high95.8Very high75 Ų7557.6 Ų57.652%0.52430%0.298SS..Hα-helixtrans-55.2-35.9177.960.20000112.8Q290 V294 R295 N296Q290-S292 PolarHBondContact O-N 2.89Å; S292-V294 VanDerWaalsContact C-N 3.33Å; S292-V294 PolarHBondContact O-N 3.49Å; S292-R295 PolarHBondContact O-N 3.45Å; S292-N296 VanDerWaalsContact O-CB 3.25Å; S292-N296 WeakPolarHBondContact O-CB 3.41Å; S292-N296 PolarHBondContact O-N 3.45Å; S292-N296 PolarHBondContact O-ND2 3.07Å
293Q93.6Very high96.2Very high41 Ų4151 Ų5119%0.19226%0.263CS..Hα-helixtrans-60.7-40.7177-66.7174.6-31.800112.1M291 N297 D590 Y602M291-Q293 PolarHBondContact O-N 3.21Å; Q293-N297 WeakPolarHBondContact O-CB 3.38Å; Q293-N297 PolarHBondContact O-N 2.8Å; Q293-N297 PolarHBondContact O-ND2 2.68Å; Q293-D590 PolarHBondContact NE2-OD1 2.81Å; Q293-Y602 HydrophobicContact CB-CE2 3.95Å
294V95.5Very high96.4Very high0 Ų051.2 Ų51.20%027%0.266CS..Hα-helixtrans-73.3-48.5176.1-176.30000110T289 M291 S292 N296 N297 L298 W316 Y602 F606T289-V294 HydrophobicContact CG2-CB 3.87Å; T289-V294 HydrophobicContact CG2-CG1 3.81Å; M291-V294 HydrophobicContact CB-CB 4.29Å; M291-V294 HydrophobicContact CB-CG2 3.88Å; M291-V294 PolarHBondContact O-N 2.97Å; M291-V294 HydrophobicContact SD-CG2 4.34Å; S292-V294 VanDerWaalsContact C-N 3.33Å; S292-V294 PolarHBondContact O-N 3.49Å; V294-N296 PolarHBondContact O-N 3.03Å; V294-N297 PolarHBondContact O-N 3.03Å; V294-L298 HydrophobicContact CG1-CB 4.18Å; V294-L298 HydrophobicContact CG1-CD2 4.25Å; V294-L298 VanDerWaalsContact O-CB 3.27Å; V294-L298 WeakPolarHBondContact O-CB 3.42Å; V294-L298 PolarHBondContact O-N 3.06Å; V294-W316 HydrophobicContact CG2-CG 4.42Å; V294-Y602 HydrophobicContact CG2-CD1 4.1Å; V294-Y602 HydrophobicContact CG2-CE1 3.62Å; V294-Y602 HydrophobicContact CG2-CE2 4.13Å; V294-F606 HydrophobicContact CG1-CE2 4.03Å; V294-F606 HydrophobicContact CG1-CZ 3.95Å
295R95.4Very high96.5Very high79 Ų7949.9 Ų49.930%0.29826%0.26SS..Hα-helixtrans-56.2-37.6-178.5-65.6-17764.2101.30.2112.9T289 M291 S292 L305 E307T289-R295 HydrophobicContact CG2-CG 3.67Å; M291-R295 WeakPolarHBondContact O-CG 3.48Å; M291-R295 PolarHBondContact O-N 2.82Å; S292-R295 PolarHBondContact O-N 3.45Å; R295-L305 HydrophobicContact CB-CD1 4.14Å; R295-L305 HydrophobicContact CG-CD1 4.45Å; R295-L305 VanDerWaalsContact O-CD1 3.31Å; R295-L305 WeakPolarHBondContact O-CD1 3.4Å; R295-E307 IonicContact CZ-OE1 3.69Å; R295-E307 IonicContact CZ-OE2 3.88Å; R295-E307 IonicContact NH1-OE1 2.72Å; R295-E307 IonicContact NH1-OE2 3.79Å; R295-E307 PolarHBondContact NH1-OE2 2.71Å; R295-E307 IonicContact NH2-OE1 3.8Å; R295-E307 PolarHBondContact NH2-OE1 2.99Å; R295-E307 IonicContact NH2-OE2 3.24Å; R295-E307 PolarHBondContact NH2-OE2 3.26Å
296N95.6Very high96.5Very high120 Ų12050.5 Ų50.564%0.64226%0.264SS*.Hα-helixtrans-86.3-17.1-175.3-64.5-16.9000113.7S292 V294S292-N296 VanDerWaalsContact O-CB 3.25Å; S292-N296 WeakPolarHBondContact O-CB 3.41Å; S292-N296 PolarHBondContact O-N 3.45Å; S292-N296 PolarHBondContact O-ND2 3.07Å; V294-N296 PolarHBondContact O-N 3.03Å
297N97Very high96.4Very high37 Ų3753.1 Ų53.120%0.19828%0.277CS..Hα-helixtrans-126.2-7.2-170.9-60.7-84.4000114.4Q293 V294 T299 C595 Y602Q293-N297 WeakPolarHBondContact O-CB 3.38Å; Q293-N297 PolarHBondContact O-N 2.8Å; Q293-N297 PolarHBondContact O-ND2 2.68Å; V294-N297 PolarHBondContact O-N 3.03Å; N297-T299 PolarHBondContact O-N 3.12Å; N297-C595 HydrophobicContact CB-CB 4.48Å; N297-Y602 HydrophobicContact CB-CD2 4.1Å
298L97.5Very high96.3Very high13 Ų1358.6 Ų58.67%0.06830%0.303CS..  trans-82.693.3171-175.862.7000109.7V287 V294 F303 L305 F606V287-L298 HydrophobicContact CB-CD2 4.24Å; V287-L298 HydrophobicContact CG1-CD2 4.1Å; V287-L298 HydrophobicContact CG2-CD2 3.97Å; V294-L298 HydrophobicContact CG1-CB 4.18Å; V294-L298 HydrophobicContact CG1-CD2 4.25Å; V294-L298 VanDerWaalsContact O-CB 3.27Å; V294-L298 WeakPolarHBondContact O-CB 3.42Å; V294-L298 PolarHBondContact O-N 3.06Å; L298-F303 HydrophobicContact CD1-CB 4.35Å; L298-F303 HydrophobicContact CD1-CD2 3.97Å; L298-F303 HydrophobicContact CD1-CG 4.25Å; L298-F303 HydrophobicContact CD2-CB 3.91Å; L298-F303 HydrophobicContact CD2-CG 4.3Å; L298-F303 HydrophobicContact CG-CB 4.1Å; L298-F303 HydrophobicContact CG-CG 4.5Å; L298-L305 HydrophobicContact CD2-CD2 4.39Å; L298-F606 HydrophobicContact CD1-CB 3.94Å; L298-F606 HydrophobicContact CD1-CD1 4.08Å; L298-F606 HydrophobicContact CD1-CD2 3.95Å; L298-F606 HydrophobicContact CD1-CE2 4.48Å; L298-F606 HydrophobicContact CD1-CG 3.72Å; L298-F606 HydrophobicContact CD2-CD1 3.87Å; L298-F606 HydrophobicContact CD2-CD2 4.48Å; L298-F606 HydrophobicContact CD2-CE1 3.68Å; L298-F606 HydrophobicContact CD2-CE2 4.31Å; L298-F606 HydrophobicContact CD2-CG 4.27Å; L298-F606 HydrophobicContact CD2-CZ 3.91Å
299T96.9Very high96.2Very high101 Ų10160.7 Ų60.762%0.6231%0.313SS*.  trans-114.5-2.4-174.2570000113.5N297 N603N297-T299 PolarHBondContact O-N 3.12Å; T299-N603 PolarHBondContact N-OD1 3.26Å; T299-N603 PolarHBondContact OG1-ND2 3.2Å
300H96.9Very high96.1Very high35 Ų3567.2 Ų67.216%0.16234%0.343CS..  trans-63.3132.5-178.8179.4-77.6000111.7R302 F303 N603H300-R302 WeakPolarHBondContact ND1-CB 3.34Å; H300-R302 PolarHBondContact ND1-N 2.97Å; H300-R302 PolarHBondContact O-N 3.19Å; H300-F303 HydrophobicContact CB-CD2 3.85Å; H300-F303 HydrophobicContact CB-CE2 4.19Å; H300-F303 AromaticContact CG-CD2 3.98Å; H300-F303 AromaticContact CG-CE2 3.97Å; H300-F303 AromaticContact ND1-CD2 3.53Å; H300-F303 AromaticContact ND1-CE2 3.47Å; H300-F303 WeakPolarHBondContact ND1-CE2 3.36Å; H300-F303 PolarHBondContact O-N 3.24Å; H300-N603 HydrophobicContact CB-CB 3.98Å; H300-N603 WeakPolarHBondContact CB-OD1 3.49Å; H300-N603 PolarHBondContact N-OD1 3.42Å
301P95.9Very high96.2Very high106 Ų10665.6 Ų65.669%0.68834%0.336SS*.THydrogen-bonded Turntrans-66.6-11.4-166.126-37000115.3F303P301-F303 VanDerWaalsContact C-N 3.32Å
302R96.3Very high96.4Very high41 Ų4164.8 Ų64.816%0.15533%0.332CS..THydrogen-bonded Turntrans-87.21.3175.4-68.4-72.2-60.8-882.8113.9P280 K281 K283 L285 H300 L611P280-R302 PolarHBondContact O-NH2 3.44Å; K281-R302 PolarHBondContact O-NH1 3.38Å; K281-R302 PolarHBondContact O-NH2 2.8Å; K283-R302 PolarHBondContact O-NE 2.87Å; K283-R302 PolarHBondContact O-NH2 3.49Å; L285-R302 PolarHBondContact N-O 3.4Å; H300-R302 WeakPolarHBondContact ND1-CB 3.34Å; H300-R302 PolarHBondContact ND1-N 2.97Å; H300-R302 PolarHBondContact O-N 3.19Å; R302-L611 HydrophobicContact CB-CD1 3.87Å; R302-L611 HydrophobicContact CB-CD2 4.41Å; R302-L611 HydrophobicContact CG-CD1 4.19Å
303F97.8Very high96.6Very high14 Ų1462.7 Ų62.76%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-125.3137.2178.2-54.3-78.5000110.1L285 V287 L298 H300 P301 I314 F606 F610 L611L285-F303 HydrophobicContact CB-CD1 3.93Å; L285-F303 HydrophobicContact CB-CE1 4.22Å; L285-F303 HydrophobicContact CD1-CD1 4.38Å; L285-F303 HydrophobicContact CD1-CE1 3.81Å; L285-F303 WeakPolarHBondContact O-CA 3.37Å; V287-F303 HydrophobicContact CG2-CB 4.05Å; V287-F303 HydrophobicContact CG2-CD1 3.83Å; V287-F303 HydrophobicContact CG2-CG 4.34Å; L298-F303 HydrophobicContact CD1-CB 4.35Å; L298-F303 HydrophobicContact CD1-CD2 3.97Å; L298-F303 HydrophobicContact CD1-CG 4.25Å; L298-F303 HydrophobicContact CD2-CB 3.91Å; L298-F303 HydrophobicContact CD2-CG 4.3Å; L298-F303 HydrophobicContact CG-CB 4.1Å; L298-F303 HydrophobicContact CG-CG 4.5Å; H300-F303 HydrophobicContact CB-CD2 3.85Å; H300-F303 HydrophobicContact CB-CE2 4.19Å; H300-F303 AromaticContact CG-CD2 3.98Å; H300-F303 AromaticContact CG-CE2 3.97Å; H300-F303 AromaticContact ND1-CD2 3.53Å; H300-F303 AromaticContact ND1-CE2 3.47Å; H300-F303 WeakPolarHBondContact ND1-CE2 3.36Å; H300-F303 PolarHBondContact O-N 3.24Å; P301-F303 VanDerWaalsContact C-N 3.32Å; F303-I314 HydrophobicContact CD1-CD1 4.07Å; F303-I314 HydrophobicContact CE1-CD1 3.82Å; F303-F606 AromaticContact CD1-CD1 3.94Å; F303-F606 HydrophobicContact CD1-CD1 3.94Å; F303-F606 HydrophobicContact CD2-CB 4.34Å; F303-F606 HydrophobicContact CE1-CB 4.14Å; F303-F606 AromaticContact CE1-CD1 3.82Å; F303-F606 HydrophobicContact CE1-CD1 3.82Å; F303-F606 HydrophobicContact CE1-CG 4.49Å; F303-F606 HydrophobicContact CE2-CB 3.7Å; F303-F606 HydrophobicContact CG-CD1 4.38Å; F303-F606 HydrophobicContact CZ-CB 3.58Å; F303-F606 HydrophobicContact CZ-CD1 4.16Å; F303-F606 HydrophobicContact CZ-CG 4.39Å; F303-F610 HydrophobicContact CE1-CB 4.31Å; F303-L611 HydrophobicContact CE1-CD2 4.33Å; F303-L611 HydrophobicContact CE1-CG 4.42Å; F303-L611 HydrophobicContact CE2-CD1 3.87Å; F303-L611 HydrophobicContact CE2-CG 4.32Å; F303-L611 HydrophobicContact CZ-CD1 3.73Å; F303-L611 HydrophobicContact CZ-CD2 4.01Å; F303-L611 HydrophobicContact CZ-CG 3.65Å
304I97.9Very high96.8Very high80 Ų8060.7 Ų60.741%0.4131%0.306SS..EExtended strand (participates in β ladder)trans-126.8135.3170.858.3177.1000108.7I284 L285 K286 V287I284-I304 HydrophobicContact CG2-CB 4.34Å; I284-I304 HydrophobicContact CG2-CD1 4.17Å; I284-I304 HydrophobicContact CG2-CG1 3.96Å; I284-I304 HydrophobicContact CG2-CG2 3.69Å; L285-I304 PolarHBondContact O-N 3.19Å; K286-I304 CarbonylContact C-O 2.95Å; K286-I304 WeakPolarHBondContact CA-O 3.3Å; K286-I304 HydrophobicContact CG-CD1 3.86Å; K286-I304 HydrophobicContact CG-CG1 3.89Å; V287-I304 PolarHBondContact N-O 2.99Å
305L98.2Very high96.9Very high59 Ų5960.9 Ų60.931%0.30931%0.307SS..EExtended strand (participates in β ladder)trans-77.6138.9176.7-63.6167.8000109.7V287 T289 R295 L298V287-L305 HydrophobicContact CB-CD2 4.25Å; V287-L305 HydrophobicContact CG1-CD2 4.32Å; V287-L305 WeakPolarHBondContact O-CA 3.27Å; T289-L305 HydrophobicContact CG2-CD2 4.09Å; R295-L305 HydrophobicContact CB-CD1 4.14Å; R295-L305 HydrophobicContact CG-CD1 4.45Å; R295-L305 VanDerWaalsContact O-CD1 3.31Å; R295-L305 WeakPolarHBondContact O-CD1 3.4Å; L298-L305 HydrophobicContact CD2-CD2 4.39Å
306V98.1Very high97Very high15 Ų1557.1 Ų57.19%0.09129%0.292CS..EExtended strand (participates in β ladder)trans-123.3150.9173.6-63.90000110.2K286 V287 F288 E311 A312K286-V306 HydrophobicContact CB-CG1 3.82Å; K286-V306 HydrophobicContact CB-CG2 4.25Å; K286-V306 HydrophobicContact CD-CG1 3.94Å; K286-V306 HydrophobicContact CG-CG1 3.8Å; V287-V306 PolarHBondContact O-N 2.95Å; F288-V306 HydrophobicContact CB-CG2 4.13Å; V306-E311 HydrophobicContact CG2-CB 4.5Å; V306-A312 HydrophobicContact CG2-CB 4.23Å
307E96.3Very high96.8Very high121 Ų12152.4 Ų52.457%0.56527%0.267SS*.SBendtrans-88.5-27.1179.6-56.1-55.3156.600112.9F288 R295F288-E307 VanDerWaalsContact CE2-O 3.23Å; F288-E307 WeakPolarHBondContact CE2-O 3.2Å; R295-E307 IonicContact CZ-OE1 3.69Å; R295-E307 IonicContact CZ-OE2 3.88Å; R295-E307 IonicContact NH1-OE1 2.72Å; R295-E307 IonicContact NH1-OE2 3.79Å; R295-E307 PolarHBondContact NH1-OE2 2.71Å; R295-E307 IonicContact NH2-OE1 3.8Å; R295-E307 PolarHBondContact NH2-OE1 2.99Å; R295-E307 IonicContact NH2-OE2 3.24Å; R295-E307 PolarHBondContact NH2-OE2 3.26Å
308E96.8Very high96.5Very high115 Ų11557.8 Ų57.854%0.53729%0.286SS..  trans-98.7128.5179.4-55.9-59.6146.600110.3E310 E311E308-E310 VanDerWaalsContact C-N 3.27Å; E308-E310 PolarHBondContact O-N 3.36Å; E308-E311 HydrophobicContact CB-CG 4.31Å; E308-E311 PolarHBondContact O-N 3.22Å
309E96.1Very high96.2Very high64 Ų6462 Ų6230%0.29931%0.308SS..G310 helixtrans-65.5-32-178.2-172.8-177.712100111.8F288 E311 A312 I315 R331F288-E309 HydrophobicContact CD1-CB 3.81Å; F288-E309 HydrophobicContact CD1-CG 3.68Å; F288-E309 HydrophobicContact CD2-CB 4.13Å; F288-E309 HydrophobicContact CE1-CB 3.86Å; F288-E309 HydrophobicContact CE1-CG 3.95Å; F288-E309 WeakPolarHBondContact CE1-OE2 3.19Å; F288-E309 HydrophobicContact CE2-CB 4.19Å; F288-E309 HydrophobicContact CG-CB 3.93Å; F288-E309 HydrophobicContact CG-CG 4.14Å; F288-E309 HydrophobicContact CZ-CB 4.05Å; E309-E311 PolarHBondContact O-N 3.08Å; E309-A312 VanDerWaalsContact O-CB 3.23Å; E309-A312 WeakPolarHBondContact O-CB 3.16Å; E309-A312 PolarHBondContact O-N 3.14Å; E309-A312 VanDerWaalsContact O-N 3.09Å; E309-I315 HydrophobicContact CG-CD1 3.76Å; E309-I315 HydrophobicContact CG-CG1 3.98Å; E309-R331 PolarHBondContact O-NH1 2.73Å; E309-R331 PolarHBondContact O-NH2 3.11Å
310E95.4Very high96Very high137 Ų13760.5 Ų60.564%0.6429%0.294SS*.G310 helixtrans-63.2-26.9-178.9-67.573.2-162.800112.6E308 R331E308-E310 VanDerWaalsContact C-N 3.27Å; E308-E310 PolarHBondContact O-N 3.36Å; E310-R331 PolarHBondContact O-NH2 3.06Å; E310-R331 VanDerWaalsContact O-NH2 3.15Å
311E96.3Very high95.8Very high103 Ų10359.7 Ų59.748%0.48129%0.291SS..G310 helixtrans-84.4-12.4177.7-64.9-163.3-169.300113.7K286 V306 E308 E309K286-E311 HydrophobicContact CD-CB 4.3Å; K286-E311 WeakPolarHBondContact CD-O 3.33Å; K286-E311 IonicContact NZ-OE2 3.25Å; K286-E311 PolarHBondContact NZ-OE2 3.1Å; V306-E311 HydrophobicContact CG2-CB 4.5Å; E308-E311 HydrophobicContact CB-CG 4.31Å; E308-E311 PolarHBondContact O-N 3.22Å; E309-E311 PolarHBondContact O-N 3.08Å
312A97.4Very high95.8Very high4 Ų458.7 Ų58.73%0.03328%0.276CS..  trans-71.3142.6-169.800000113F288 V306 E309 I315 R331 V334F288-A312 HydrophobicContact CB-CB 3.59Å; V306-A312 HydrophobicContact CG2-CB 4.23Å; E309-A312 VanDerWaalsContact O-CB 3.23Å; E309-A312 WeakPolarHBondContact O-CB 3.16Å; E309-A312 PolarHBondContact O-N 3.14Å; E309-A312 VanDerWaalsContact O-N 3.09Å; A312-I315 HydrophobicContact CB-CG1 4.25Å; A312-R331 PolarHBondContact O-NH2 3.24Å; A312-V334 WeakPolarHBondContact O-CG2 3.28Å
313D97.3Very high95.7Very high31 Ų3160.5 Ų60.517%0.16629%0.289CS..SBendtrans-90.3-27162.1-63.4-62.4000111.4K283 L285 K286 V334 M335K283-D313 WeakPolarHBondContact CE-OD1 3.21Å; K283-D313 WeakPolarHBondContact CE-OD2 3.11Å; K283-D313 VanDerWaalsContact NZ-CG 3.35Å; K283-D313 IonicContact NZ-OD1 2.79Å; K283-D313 PolarHBondContact NZ-OD1 3.11Å; K283-D313 IonicContact NZ-OD2 3.39Å; L285-D313 WeakPolarHBondContact CA-OD2 3.32Å; L285-D313 HydrophobicContact CB-CB 4.34Å; L285-D313 HydrophobicContact CD2-CB 3.78Å; K286-D313 PolarHBondContact N-OD2 3.16Å; K286-D313 WeakPolarHBondContact O-CA 3.41Å; K286-D313 PolarHBondContact O-N 2.86Å; D313-V334 WeakPolarHBondContact O-CA 3.47Å; D313-M335 PolarHBondContact O-N 3.27Å
314I98Very high95.7Very high0 Ų059.9 Ų59.90%029%0.286CS..EExtended strand (participates in β ladder)trans-128.1126.8176.4-61.6162.2000109L285 K286 V287 F288 F303 M335 F606 F610L285-I314 HydrophobicContact CB-CD1 4.13Å; L285-I314 HydrophobicContact CD1-CD1 3.87Å; K286-I314 PolarHBondContact O-N 3.12Å; V287-I314 WeakPolarHBondContact CA-O 3.2Å; V287-I314 HydrophobicContact CG2-CB 4.22Å; V287-I314 HydrophobicContact CG2-CD1 4.01Å; F288-I314 PolarHBondContact N-O 2.97Å; F303-I314 HydrophobicContact CD1-CD1 4.07Å; F303-I314 HydrophobicContact CE1-CD1 3.82Å; I314-M335 CarbonylContact C-O 3.6Å; I314-M335 VanDerWaalsContact CA-O 3.31Å; I314-M335 WeakPolarHBondContact CA-O 3.45Å; I314-M335 HydrophobicContact CD1-CE 4.2Å; I314-M335 HydrophobicContact CG1-CB 4.24Å; I314-M335 HydrophobicContact CG1-CE 3.81Å; I314-F606 HydrophobicContact CD1-CD1 4.21Å; I314-F606 HydrophobicContact CD1-CE1 4.26Å; I314-F606 HydrophobicContact CG2-CE1 4.19Å; I314-F610 HydrophobicContact CD1-CB 3.8Å; I314-F610 HydrophobicContact CD1-CD1 3.93Å; I314-F610 HydrophobicContact CD1-CD2 3.8Å; I314-F610 HydrophobicContact CD1-CE1 4.45Å; I314-F610 HydrophobicContact CD1-CE2 4.34Å; I314-F610 HydrophobicContact CD1-CG 3.57Å; I314-F610 HydrophobicContact CG1-CD1 4Å; I314-F610 HydrophobicContact CG1-CE1 4.27Å; I314-F610 HydrophobicContact CG1-CG 4.18Å; I314-F610 HydrophobicContact CG2-CD1 4.46Å; I314-F610 HydrophobicContact CG2-CE1 3.92Å; I314-F610 HydrophobicContact CG2-CE2 4.11Å; I314-F610 HydrophobicContact CG2-CZ 3.74Å
315I97.6Very high95.6Very high3 Ų360.8 Ų60.82%0.01528%0.284CS..EExtended strand (participates in β ladder)trans-102.5115.9168.7-61.5171.5000107.6F288 E309 A312 N317 L327 V334 M335 L336 N337F288-I315 HydrophobicContact CD1-CG2 4.43Å; E309-I315 HydrophobicContact CG-CD1 3.76Å; E309-I315 HydrophobicContact CG-CG1 3.98Å; A312-I315 HydrophobicContact CB-CG1 4.25Å; I315-N317 VanDerWaalsContact CG2-ND2 3.34Å; I315-N317 WeakPolarHBondContact CG2-ND2 3.38Å; I315-L327 HydrophobicContact CD1-CD2 4.3Å; I315-V334 HydrophobicContact CD1-CG1 3.66Å; I315-V334 HydrophobicContact CG1-CG1 3.73Å; I315-M335 PolarHBondContact N-O 3.44Å; I315-L336 HydrophobicContact CB-CD2 3.98Å; I315-L336 HydrophobicContact CD1-CD2 4.21Å; I315-N337 PolarHBondContact O-N 3.21Å; I315-N337 PolarHBondContact O-OD1 3.29Å
316W96.8Very high95.6Very high0 Ų063.2 Ų63.20%029%0.292CS..EExtended strand (participates in β ladder)trans-116.997.9176.6-172.2-68.2000110.1F288 T289 M291 V294 N337 I559 Y602 F606 L609 F610F288-W316 PolarHBondContact O-N 2.97Å; T289-W316 WeakPolarHBondContact CA-O 3.41Å; T289-W316 WeakPolarHBondContact CB-O 3.23Å; T289-W316 PolarHBondContact OG1-O 3.5Å; M291-W316 VanDerWaalsContact SD-CD1 3.58Å; M291-W316 PolarHBondContact SD-NE1 2.74Å; M291-W316 VanDerWaalsContact SD-NE1 3.44Å; V294-W316 HydrophobicContact CG2-CG 4.42Å; W316-N337 HydrophobicContact CB-CB 4.41Å; W316-N337 HydrophobicContact CD2-CB 3.58Å; W316-N337 HydrophobicContact CE3-CB 3.47Å; W316-N337 VanDerWaalsContact CE3-CB 3.47Å; W316-N337 HydrophobicContact CG-CB 4.02Å; W316-N337 HydrophobicContact CH2-CB 4.45Å; W316-N337 HydrophobicContact CZ3-CB 3.92Å; W316-I559 HydrophobicContact CH2-CD1 3.95Å; W316-I559 HydrophobicContact CH2-CG1 3.98Å; W316-I559 HydrophobicContact CH2-CG2 3.94Å; W316-I559 HydrophobicContact CZ2-CD1 3.63Å; W316-I559 HydrophobicContact CZ2-CG1 3.91Å; W316-Y602 HydrophobicContact CZ2-CE1 4.01Å; W316-F606 HydrophobicContact CB-CZ 4.24Å; W316-F606 AromaticContact CD2-CE2 3.87Å; W316-F606 HydrophobicContact CD2-CE2 3.87Å; W316-F606 AromaticContact CD2-CZ 3.73Å; W316-F606 HydrophobicContact CD2-CZ 3.73Å; W316-F606 HydrophobicContact CE3-CD2 4.39Å; W316-F606 HydrophobicContact CE3-CE1 4.19Å; W316-F606 AromaticContact CE3-CE2 3.48Å; W316-F606 HydrophobicContact CE3-CE2 3.48Å; W316-F606 VanDerWaalsContact CE3-CE2 3.48Å; W316-F606 AromaticContact CE3-CZ 3.36Å; W316-F606 HydrophobicContact CE3-CZ 3.36Å; W316-F606 HydrophobicContact CG-CZ 4.11Å; W316-F606 HydrophobicContact CH2-CE2 4.16Å; W316-F606 HydrophobicContact CZ2-CE2 4.49Å; W316-F606 HydrophobicContact CZ3-CD2 4.2Å; W316-F606 AromaticContact CZ3-CE2 3.65Å; W316-F606 HydrophobicContact CZ3-CE2 3.65Å; W316-F606 AromaticContact CZ3-CZ 3.99Å; W316-F606 HydrophobicContact CZ3-CZ 3.99Å; W316-L609 HydrophobicContact CZ3-CD1 4.48Å; W316-F610 AromaticContact CE3-CE2 3.83Å; W316-F610 HydrophobicContact CE3-CE2 3.83Å; W316-F610 AromaticContact CE3-CZ 3.91Å; W316-F610 HydrophobicContact CE3-CZ 3.91Å; W316-F610 AromaticContact CZ3-CE2 3.7Å; W316-F610 HydrophobicContact CZ3-CE2 3.7Å; W316-F610 AromaticContact CZ3-CZ 3.94Å; W316-F610 HydrophobicContact CZ3-CZ 3.94Å
317N92.4Very high95.4Very high21 Ų2163.7 Ų63.711%0.11229%0.294CS..  trans-119.6151.1-174.6-74.3-14.1000112.3I315 N337 Q338I315-N317 VanDerWaalsContact CG2-ND2 3.34Å; I315-N317 WeakPolarHBondContact CG2-ND2 3.38Å; N317-N337 PolarHBondContact N-OD1 2.86Å; N317-N337 PolarHBondContact O-ND2 3.16Å; N317-N337 PolarHBondContact O-OD1 2.74Å; N317-Q338 PolarHBondContact O-NE2 3.35Å
318Y91.1Very high95.4Very high150 Ų15058.1 Ų58.159%0.58827%0.269SS*.SBendtrans-79.5-37.1169.5-178.1-93.2000111.2F587 S588Y318-F587 WeakPolarHBondContact O-CE1 3.38Å; Y318-S588 WeakPolarHBondContact CD2-OG 3.45Å
319D91.2Very high95.4Very high101 Ų10157.8 Ų57.854%0.5427%0.267SS..SBendtrans-69.6142.7-179.4-64.3-37.8000111.9I321 Q338D319-I321 PolarHBondContact O-N 3.03Å; D319-Q338 PolarHBondContact O-NE2 3.1Å
320H91.5Very high95.4Very high70 Ų7060.9 Ų60.932%0.32428%0.281SS..PPolyproline II helixtrans-66.6122.7-178.4178.167000111.5E268E268-H320 WeakPolarHBondContact CG-NE2 3.44Å; E268-H320 IonicContact OE1-CE1 2.63Å; E268-H320 PolarHBondContact OE1-CE1 2.78Å; E268-H320 IonicContact OE1-NE2 2.66Å; E268-H320 PolarHBondContact OE1-NE2 2.77Å; E268-H320 VanDerWaalsContact OE1-NE2 3.12Å
321I94.2Very high95.4Very high19 Ų1956.9 Ų56.910%0.09726%0.261CS..PPolyproline II helixtrans-76.9125.4178-62.3173.1000108.6D319 Y324 L327 L336 Q338D319-I321 PolarHBondContact O-N 3.03Å; I321-Y324 HydrophobicContact CB-CE1 4.11Å; I321-Y324 HydrophobicContact CB-CE2 4.43Å; I321-Y324 HydrophobicContact CG2-CD1 4Å; I321-Y324 HydrophobicContact CG2-CD2 4.44Å; I321-Y324 HydrophobicContact CG2-CE1 3.74Å; I321-Y324 HydrophobicContact CG2-CE2 4.21Å; I321-Y324 HydrophobicContact CG2-CG 4.35Å; I321-Y324 WeakPolarHBondContact O-CE2 3.17Å; I321-Y324 PolarHBondContact O-OH 3.19Å; I321-L327 HydrophobicContact CG2-CD1 3.94Å; I321-L336 HydrophobicContact CD1-CB 4.16Å; I321-L336 HydrophobicContact CD1-CD1 4.14Å; I321-L336 HydrophobicContact CD1-CD2 4.18Å; I321-L336 HydrophobicContact CD1-CG 4.39Å; I321-L336 HydrophobicContact CG2-CD1 4.49Å; I321-Q338 HydrophobicContact CD1-CB 4.41Å
322K94.9Very high95.3Very high84 Ų8453.7 Ų53.737%0.36525%0.249SC..  trans-110.6-31.8178.5-63.8-173.8178.2-162.40113.7N266 Q269 Y324N266-K322 WeakPolarHBondContact O-CD 3.4Å; N266-K322 WeakPolarHBondContact O-CE 3.33Å; N266-K322 PolarHBondContact O-NZ 3.5Å; Q269-K322 PolarHBondContact N-O 2.97Å; K322-Y324 VanDerWaalsContact C-N 3.31Å; K322-Y324 PolarHBondContact O-N 3.31Å; K322-Y324 VanDerWaalsContact O-N 3.14Å
323D95.2Very high95Very high80 Ų8059.4 Ų59.443%0.42828%0.275SS..  trans-9250.2-170.7-63.1-40000112.9Q269 R325 K326 L327Q269-D323 PolarHBondContact NE2-OD1 3.19Å; D323-R325 PolarHBondContact O-N 3.06Å; D323-K326 HydrophobicContact CB-CB 4.29Å; D323-K326 PolarHBondContact O-N 3.4Å; D323-L327 PolarHBondContact O-N 3.49Å
324Y96.9Very high94.9Very high0 Ų058.4 Ų58.40%027%0.27CS..Hα-helixtrans-61-34179.7-61.3-85.5000112.5Q269 I321 K322 L327 S328 L336 F339 P340 Y553Q269-Y324 WeakPolarHBondContact O-CB 3.25Å; Q269-Y324 PolarHBondContact O-N 2.71Å; I321-Y324 HydrophobicContact CB-CE1 4.11Å; I321-Y324 HydrophobicContact CB-CE2 4.43Å; I321-Y324 HydrophobicContact CG2-CD1 4Å; I321-Y324 HydrophobicContact CG2-CD2 4.44Å; I321-Y324 HydrophobicContact CG2-CE1 3.74Å; I321-Y324 HydrophobicContact CG2-CE2 4.21Å; I321-Y324 HydrophobicContact CG2-CG 4.35Å; I321-Y324 WeakPolarHBondContact O-CE2 3.17Å; I321-Y324 PolarHBondContact O-OH 3.19Å; K322-Y324 VanDerWaalsContact C-N 3.31Å; K322-Y324 PolarHBondContact O-N 3.31Å; K322-Y324 VanDerWaalsContact O-N 3.14Å; Y324-L327 PolarHBondContact O-N 3.3Å; Y324-S328 WeakPolarHBondContact O-CB 3.49Å; Y324-S328 PolarHBondContact O-N 2.94Å; Y324-S328 PolarHBondContact O-OG 3.37Å; Y324-L336 HydrophobicContact CD1-CD1 3.77Å; Y324-L336 HydrophobicContact CE1-CD1 3.82Å; Y324-F339 PolarHBondContact OH-O 3.4Å; Y324-P340 HydrophobicContact CD1-CB 4.43Å; Y324-P340 HydrophobicContact CD1-CG 3.75Å; Y324-P340 HydrophobicContact CD2-CB 3.67Å; Y324-P340 HydrophobicContact CD2-CG 3.88Å; Y324-P340 HydrophobicContact CE1-CB 4.38Å; Y324-P340 HydrophobicContact CE1-CG 3.88Å; Y324-P340 HydrophobicContact CE2-CB 3.6Å; Y324-P340 HydrophobicContact CE2-CG 3.99Å; Y324-P340 HydrophobicContact CG-CB 4.09Å; Y324-P340 HydrophobicContact CG-CG 3.75Å; Y324-Y553 HydrophobicContact CD1-CD1 4.16Å; Y324-Y553 HydrophobicContact CD1-CE1 4.33Å
325R97.1Very high94.8Very high99 Ų9959.1 Ų59.137%0.37427%0.273SS..Hα-helixtrans-52.6-56.4172.9178.8166-68.3-77.2-8.7111.7Q269 L270 D323 L327 S328 E329Q269-R325 HydrophobicContact CB-CB 3.83Å; Q269-R325 PolarHBondContact O-N 3.06Å; L270-R325 WeakPolarHBondContact O-CB 3.22Å; L270-R325 PolarHBondContact O-NH2 3.22Å; D323-R325 PolarHBondContact O-N 3.06Å; R325-L327 VanDerWaalsContact C-N 3.33Å; R325-L327 PolarHBondContact O-N 3.01Å; R325-S328 WeakPolarHBondContact CA-OG 3.48Å; R325-S328 PolarHBondContact O-N 2.81Å; R325-S328 PolarHBondContact O-OG 3.5Å; R325-E329 HydrophobicContact CG-CG 4.46Å; R325-E329 WeakPolarHBondContact CG-OE1 3.46Å; R325-E329 IonicContact NH1-OE1 2.69Å; R325-E329 PolarHBondContact NH1-OE1 3.43Å; R325-E329 VanDerWaalsContact NH1-OE1 3.14Å; R325-E329 WeakPolarHBondContact O-CG 3.39Å; R325-E329 PolarHBondContact O-N 3.32Å
326K96.6Very high94.8Very high110 Ų11059 Ų5948%0.47827%0.272SS..Hα-helixtrans-57.3-46.8180-174.9-175.7175.6-172.40111.4D323 S328 E329 E330D323-K326 HydrophobicContact CB-CB 4.29Å; D323-K326 PolarHBondContact O-N 3.4Å; K326-S328 PolarHBondContact O-N 2.76Å; K326-E329 PolarHBondContact O-N 3.2Å; K326-E330 WeakPolarHBondContact CE-OE2 2.95Å; K326-E330 HydrophobicContact CG-CG 4.29Å; K326-E330 WeakPolarHBondContact O-CB 3.42Å; K326-E330 PolarHBondContact O-N 2.88Å
327L95.3Very high94.8Very high26 Ų2659 Ų5914%0.13627%0.273CS..Hα-helixtrans-61.3-44178.9-72.9166.9000112I315 I321 D323 Y324 R325 R331 L336I315-L327 HydrophobicContact CD1-CD2 4.3Å; I321-L327 HydrophobicContact CG2-CD1 3.94Å; D323-L327 PolarHBondContact O-N 3.49Å; Y324-L327 PolarHBondContact O-N 3.3Å; R325-L327 VanDerWaalsContact C-N 3.33Å; R325-L327 PolarHBondContact O-N 3.01Å; L327-R331 CarbonylContact O-C 3.59Å; L327-R331 VanDerWaalsContact O-CA 3.27Å; L327-R331 WeakPolarHBondContact O-CA 3.41Å; L327-R331 PolarHBondContact O-N 2.73Å; L327-L336 HydrophobicContact CD1-CD1 3.87Å; L327-L336 HydrophobicContact CD1-CD2 4.06Å
328S96.4Very high95Very high4 Ų458 Ų583%0.02827%0.267CS..Hα-helixtrans-68.7-30.8178.959.50000113.7P271 V272 I274 Y324 R325 K326 P332 Y553P271-S328 WeakPolarHBondContact CA-OG 3.39Å; V272-S328 WeakPolarHBondContact CG2-OG 3.45Å; V272-S328 PolarHBondContact N-OG 3.39Å; I274-S328 WeakPolarHBondContact CG2-O 3.34Å; Y324-S328 WeakPolarHBondContact O-CB 3.49Å; Y324-S328 PolarHBondContact O-N 2.94Å; Y324-S328 PolarHBondContact O-OG 3.37Å; R325-S328 WeakPolarHBondContact CA-OG 3.48Å; R325-S328 PolarHBondContact O-N 2.81Å; R325-S328 PolarHBondContact O-OG 3.5Å; K326-S328 PolarHBondContact O-N 2.76Å; S328-P332 WeakPolarHBondContact O-CB 3.37Å; S328-Y553 WeakPolarHBondContact CA-OH 3.14Å
329E96.5Very high95.3Very high107 Ų10751 Ų5150%0.524%0.239SC..Hα-helixtrans-81.2-43.9178.3-71.1171.3177.800112.3V272 R325 K326V272-E329 HydrophobicContact CG1-CG 4.08Å; V272-E329 HydrophobicContact CG2-CG 3.74Å; R325-E329 HydrophobicContact CG-CG 4.46Å; R325-E329 WeakPolarHBondContact CG-OE1 3.46Å; R325-E329 IonicContact NH1-OE1 2.69Å; R325-E329 PolarHBondContact NH1-OE1 3.43Å; R325-E329 VanDerWaalsContact NH1-OE1 3.14Å; R325-E329 WeakPolarHBondContact O-CG 3.39Å; R325-E329 PolarHBondContact O-N 3.32Å; K326-E329 PolarHBondContact O-N 3.2Å
330E96.1Very high95.5Very high129 Ų12946.1 Ų46.160%0.60321%0.214SC*.Hα-helixtrans-95.4-33.9-172-61.9178.6-176.200113.3K326K326-E330 WeakPolarHBondContact CE-OE2 2.95Å; K326-E330 HydrophobicContact CG-CG 4.29Å; K326-E330 WeakPolarHBondContact O-CB 3.42Å; K326-E330 PolarHBondContact O-N 2.88Å
331R94.9Very high95.8Very high54 Ų5443 Ų4320%0.20420%0.2CC..  trans-136.354.4-173-63.2-179.670.5-167.8-0.2111.9E309 E310 A312 L327 H333 V334E309-R331 PolarHBondContact O-NH1 2.73Å; E309-R331 PolarHBondContact O-NH2 3.11Å; E310-R331 PolarHBondContact O-NH2 3.06Å; E310-R331 VanDerWaalsContact O-NH2 3.15Å; A312-R331 PolarHBondContact O-NH2 3.24Å; L327-R331 CarbonylContact O-C 3.59Å; L327-R331 VanDerWaalsContact O-CA 3.27Å; L327-R331 WeakPolarHBondContact O-CA 3.41Å; L327-R331 PolarHBondContact O-N 2.73Å; R331-H333 PolarHBondContact O-N 2.8Å; R331-V334 HydrophobicContact CB-CB 4.33Å; R331-V334 HydrophobicContact CB-CG2 3.83Å; R331-V334 PolarHBondContact O-N 2.68Å
332P93.4Very high95.8Very high35 Ų3542.3 Ų42.323%0.22720%0.196CC..THydrogen-bonded Turntrans-58.8-22.4-171.622.6-34.7000114.6I274 S328 S555I274-P332 HydrophobicContact CB-CB 4.12Å; I274-P332 HydrophobicContact CD1-CB 4.49Å; I274-P332 VanDerWaalsContact CD1-O 3.31Å; I274-P332 WeakPolarHBondContact CD1-O 3.34Å; I274-P332 HydrophobicContact CG2-CB 3.75Å; S328-P332 WeakPolarHBondContact O-CB 3.37Å; P332-S555 PolarHBondContact O-OG 3.13Å
333H91.6Very high95.8Very high125 Ų12539.2 Ų39.258%0.57918%0.183SC*.THydrogen-bonded Turntrans-85.5-9.6-178.8-55.2-52.3000114.4R331R331-H333 PolarHBondContact O-N 2.8Å
334V95Very high95.7Very high10 Ų1035.5 Ų35.56%0.06116%0.164CC..  trans-79.4124.8-178.6174.50000109.7A312 D313 I315 R331 L336 S555A312-V334 WeakPolarHBondContact O-CG2 3.28Å; D313-V334 WeakPolarHBondContact O-CA 3.47Å; I315-V334 HydrophobicContact CD1-CG1 3.66Å; I315-V334 HydrophobicContact CG1-CG1 3.73Å; R331-V334 HydrophobicContact CB-CB 4.33Å; R331-V334 HydrophobicContact CB-CG2 3.83Å; R331-V334 PolarHBondContact O-N 2.68Å; V334-L336 HydrophobicContact CG1-CD2 4.23Å; V334-S555 WeakPolarHBondContact O-CB 3.48Å
335M96.3Very high95.7Very high14 Ų1435.5 Ų35.57%0.06916%0.164CC..EExtended strand (participates in β ladder)trans-89145.9179.1-62.3-179.6-71.900111.3V279 L285 D313 I314 I315 S555 F610V279-M335 HydrophobicContact CG2-CE 3.72Å; V279-M335 HydrophobicContact CG2-SD 4.22Å; L285-M335 HydrophobicContact CD1-CE 3.94Å; L285-M335 HydrophobicContact CD2-CE 4.33Å; D313-M335 PolarHBondContact O-N 3.27Å; I314-M335 CarbonylContact C-O 3.6Å; I314-M335 VanDerWaalsContact CA-O 3.31Å; I314-M335 WeakPolarHBondContact CA-O 3.45Å; I314-M335 HydrophobicContact CD1-CE 4.2Å; I314-M335 HydrophobicContact CG1-CB 4.24Å; I314-M335 HydrophobicContact CG1-CE 3.81Å; I315-M335 PolarHBondContact N-O 3.44Å; M335-S555 CarbonylContact C-O 3.56Å; M335-S555 WeakPolarHBondContact CA-O 3.34Å; M335-F610 HydrophobicContact CB-CD1 3.88Å; M335-F610 HydrophobicContact CB-CE1 3.87Å; M335-F610 HydrophobicContact CE-CB 4.06Å; M335-F610 HydrophobicContact CE-CD1 3.93Å; M335-F610 HydrophobicContact CE-CG 4.41Å; M335-F610 HydrophobicContact CG-CD1 4.46Å; M335-F610 HydrophobicContact SD-CD1 3.81Å
336L97Very high95.5Very high1 Ų132.6 Ų32.61%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-121.5155-173.9-50.6179.9000110.7I315 I321 Y324 L327 V334 Y553 S555 R557I315-L336 HydrophobicContact CB-CD2 3.98Å; I315-L336 HydrophobicContact CD1-CD2 4.21Å; I321-L336 HydrophobicContact CD1-CB 4.16Å; I321-L336 HydrophobicContact CD1-CD1 4.14Å; I321-L336 HydrophobicContact CD1-CD2 4.18Å; I321-L336 HydrophobicContact CD1-CG 4.39Å; I321-L336 HydrophobicContact CG2-CD1 4.49Å; Y324-L336 HydrophobicContact CD1-CD1 3.77Å; Y324-L336 HydrophobicContact CE1-CD1 3.82Å; L327-L336 HydrophobicContact CD1-CD1 3.87Å; L327-L336 HydrophobicContact CD1-CD2 4.06Å; V334-L336 HydrophobicContact CG1-CD2 4.23Å; L336-Y553 HydrophobicContact CD1-CD1 4.31Å; L336-Y553 HydrophobicContact CD1-CE1 3.77Å; L336-Y553 HydrophobicContact CG-CE1 4.48Å; L336-S555 PolarHBondContact N-O 3.33Å; L336-R557 PolarHBondContact O-N 2.67Å; L336-R557 VanDerWaalsContact O-O 3.07Å
337N96.6Very high95.4Very high1 Ų128.8 Ų28.81%0.00514%0.143CC..SBendtrans-93.418.5174.576.3-48.9000114.4I315 W316 N317 R557 F587I315-N337 PolarHBondContact O-N 3.21Å; I315-N337 PolarHBondContact O-OD1 3.29Å; W316-N337 HydrophobicContact CB-CB 4.41Å; W316-N337 HydrophobicContact CD2-CB 3.58Å; W316-N337 HydrophobicContact CE3-CB 3.47Å; W316-N337 VanDerWaalsContact CE3-CB 3.47Å; W316-N337 HydrophobicContact CG-CB 4.02Å; W316-N337 HydrophobicContact CH2-CB 4.45Å; W316-N337 HydrophobicContact CZ3-CB 3.92Å; N317-N337 PolarHBondContact N-OD1 2.86Å; N317-N337 PolarHBondContact O-ND2 3.16Å; N317-N337 PolarHBondContact O-OD1 2.74Å; N337-R557 CarbonylContact C-O 3.49Å; N337-R557 WeakPolarHBondContact CA-O 3.2Å; N337-F587 WeakPolarHBondContact O-CE2 3.38Å
338Q96.8Very high95.4Very high0 Ų028.7 Ų28.70%014%0.141CC..  trans-142.4151.3-179.7-66.3172.640.500111.2N317 D319 I321 E342 S556 R557 F587N317-Q338 PolarHBondContact O-NE2 3.35Å; D319-Q338 PolarHBondContact O-NE2 3.1Å; I321-Q338 HydrophobicContact CD1-CB 4.41Å; Q338-E342 WeakPolarHBondContact CA-OE2 3.25Å; Q338-E342 WeakPolarHBondContact CG-OE1 3.49Å; Q338-S556 WeakPolarHBondContact O-CB 3.5Å; Q338-S556 PolarHBondContact O-OG 2.87Å; Q338-R557 PolarHBondContact N-O 3.07Å; Q338-F587 HydrophobicContact CG-CD2 4.43Å; Q338-F587 HydrophobicContact CG-CE1 4.01Å; Q338-F587 HydrophobicContact CG-CE2 3.49Å; Q338-F587 VanDerWaalsContact CG-CE2 3.49Å; Q338-F587 HydrophobicContact CG-CZ 3.23Å
339F97.3Very high95.3Very high1 Ų128.8 Ų28.80%0.00414%0.142CC..  trans-101.8144.1168-75.1-97.9000111.5Y324 E342 L456 V459 I550 S556 A558Y324-F339 PolarHBondContact OH-O 3.4Å; F339-E342 HydrophobicContact CB-CB 4.18Å; F339-E342 PolarHBondContact N-OE2 3.15Å; F339-E342 VanDerWaalsContact O-CB 3.29Å; F339-E342 WeakPolarHBondContact O-CB 3.43Å; F339-E342 VanDerWaalsContact O-CG 3.25Å; F339-E342 WeakPolarHBondContact O-CG 3.42Å; F339-E342 PolarHBondContact O-N 2.67Å; F339-L456 HydrophobicContact CD2-CD2 3.72Å; F339-L456 HydrophobicContact CD2-CG 4.3Å; F339-L456 HydrophobicContact CE2-CB 4.09Å; F339-L456 HydrophobicContact CE2-CD2 3.57Å; F339-L456 HydrophobicContact CE2-CG 3.63Å; F339-L456 HydrophobicContact CG-CD2 4.31Å; F339-L456 HydrophobicContact CZ-CD2 4.06Å; F339-L456 HydrophobicContact CZ-CG 3.93Å; F339-V459 HydrophobicContact CD1-CG1 4.39Å; F339-V459 HydrophobicContact CE1-CG1 4.21Å; F339-V459 HydrophobicContact CE1-CG2 4.4Å; F339-I550 HydrophobicContact CB-CG2 3.48Å; F339-I550 VanDerWaalsContact CB-CG2 3.48Å; F339-I550 HydrophobicContact CD1-CG2 3.99Å; F339-I550 HydrophobicContact CG-CG2 3.85Å; F339-S556 VanDerWaalsContact CE1-CB 3.44Å; F339-S556 WeakPolarHBondContact CZ-O 3.27Å; F339-A558 HydrophobicContact CD2-CB 3.72Å; F339-A558 HydrophobicContact CE2-CB 3.94Å
340P96.7Very high95.2Very high0 Ų023.8 Ų23.80%012%0.118CC..THydrogen-bonded Turntrans-61.5142.8168.6-3.213.6000110.3L270 P271 Y324 E342 C551L270-P340 HydrophobicContact CD2-CB 4.11Å; P271-P340 HydrophobicContact CG-CG 4.07Å; Y324-P340 HydrophobicContact CD1-CB 4.43Å; Y324-P340 HydrophobicContact CD1-CG 3.75Å; Y324-P340 HydrophobicContact CD2-CB 3.67Å; Y324-P340 HydrophobicContact CD2-CG 3.88Å; Y324-P340 HydrophobicContact CE1-CB 4.38Å; Y324-P340 HydrophobicContact CE1-CG 3.88Å; Y324-P340 HydrophobicContact CE2-CB 3.6Å; Y324-P340 HydrophobicContact CE2-CG 3.99Å; Y324-P340 HydrophobicContact CG-CB 4.09Å; Y324-P340 HydrophobicContact CG-CG 3.75Å; P340-E342 PolarHBondContact O-N 2.95Å; P340-C551 HydrophobicContact CB-CB 3.57Å; P340-C551 HydrophobicContact CG-CB 3.78Å; P340-C551 VanDerWaalsContact O-CB 3.22Å; P340-C551 WeakPolarHBondContact O-CB 3.29Å; P340-C551 PolarHBondContact O-N 3.08Å
341C96.5Very high95.1Very high5 Ų518 Ų183%0.0349%0.092CC..THydrogen-bonded Turntrans5924.2-175.3-51.70000114.4E268 N343 I344E268-C341 PolarHBondContact OE2-N 2.69Å; C341-N343 WeakPolarHBondContact CA-OD1 3.27Å; C341-N343 PolarHBondContact O-N 3.29Å; C341-N343 PolarHBondContact O-OD1 3.27Å; C341-I344 WeakPolarHBondContact O-CG1 3.34Å; C341-I344 PolarHBondContact O-N 3.32Å
342E95.6Very high95Very high4 Ų415.7 Ų15.72%0.0198%0.084CC..THydrogen-bonded Turntrans-70.2-14.8176.570.1-178.3-166.700113.7Q338 F339 P340 I344 V345 T346 Y560Q338-E342 WeakPolarHBondContact CA-OE2 3.25Å; Q338-E342 WeakPolarHBondContact CG-OE1 3.49Å; F339-E342 HydrophobicContact CB-CB 4.18Å; F339-E342 PolarHBondContact N-OE2 3.15Å; F339-E342 VanDerWaalsContact O-CB 3.29Å; F339-E342 WeakPolarHBondContact O-CB 3.43Å; F339-E342 VanDerWaalsContact O-CG 3.25Å; F339-E342 WeakPolarHBondContact O-CG 3.42Å; F339-E342 PolarHBondContact O-N 2.67Å; P340-E342 PolarHBondContact O-N 2.95Å; E342-I344 PolarHBondContact O-N 3.28Å; E342-V345 WeakPolarHBondContact O-CG2 3.5Å; E342-V345 PolarHBondContact O-N 2.75Å; E342-T346 PolarHBondContact O-N 2.98Å; E342-Y560 PolarHBondContact OE2-OH 3.32Å
343N93.6Very high95Very high18 Ų1814.2 Ų14.210%0.0968%0.075CC..Hα-helixtrans-55.4-24174.670-59.5000112.3I262 N266 C341 V345 T346 V347I262-N343 WeakPolarHBondContact CG2-ND2 3.17Å; N266-N343 PolarHBondContact ND2-ND2 2.8Å; C341-N343 WeakPolarHBondContact CA-OD1 3.27Å; C341-N343 PolarHBondContact O-N 3.29Å; C341-N343 PolarHBondContact O-OD1 3.27Å; N343-V345 PolarHBondContact O-N 3.29Å; N343-T346 WeakPolarHBondContact CA-OG1 3.09Å; N343-T346 PolarHBondContact O-N 2.5Å; N343-V347 HydrophobicContact CB-CG2 4.05Å; N343-V347 WeakPolarHBondContact O-CB 3.44Å; N343-V347 VanDerWaalsContact O-CG2 3.32Å; N343-V347 WeakPolarHBondContact O-CG2 3.35Å; N343-V347 PolarHBondContact O-N 3Å
344I94.4Very high95Very high3 Ų38.3 Ų8.32%0.0155%0.047CC..Hα-helixtrans-63.7-23177.273.8179.2000113.6C341 E342 C350 L351 I354 I550C341-I344 WeakPolarHBondContact O-CG1 3.34Å; C341-I344 PolarHBondContact O-N 3.32Å; E342-I344 PolarHBondContact O-N 3.28Å; I344-C350 HydrophobicContact CB-CB 4.3Å; I344-C350 CarbonylContact O-C 3.53Å; I344-C350 VanDerWaalsContact O-C 3.27Å; I344-C350 VanDerWaalsContact O-CB 3.25Å; I344-C350 WeakPolarHBondContact O-CB 3.47Å; I344-L351 PolarHBondContact O-N 2.86Å; I344-I354 HydrophobicContact CD1-CD1 4.18Å; I344-I550 HydrophobicContact CD1-CG1 3.85Å; I344-I550 HydrophobicContact CG1-CG1 4.07Å
345V95.4Very high94.8Very high0 Ų07.9 Ų7.90%05%0.045CC..Hα-helixtrans-100.8-21175.9-62.80000112.9E342 N343 F537 A541 I550 Y560 L585E342-V345 WeakPolarHBondContact O-CG2 3.5Å; E342-V345 PolarHBondContact O-N 2.75Å; N343-V345 PolarHBondContact O-N 3.29Å; V345-F537 HydrophobicContact CB-CE1 3.78Å; V345-F537 HydrophobicContact CB-CZ 3.76Å; V345-F537 HydrophobicContact CG1-CE1 3.68Å; V345-F537 HydrophobicContact CG1-CZ 3.61Å; V345-A541 HydrophobicContact CG1-CB 3.46Å; V345-A541 VanDerWaalsContact CG1-CB 3.46Å; V345-I550 HydrophobicContact CG1-CD1 3.91Å; V345-I550 HydrophobicContact CG1-CG1 4.32Å; V345-I550 HydrophobicContact CG2-CD1 4.27Å; V345-Y560 HydrophobicContact CG2-CE1 4.06Å; V345-L585 WeakPolarHBondContact O-CB 3.5Å
346T94.4Very high94.4Very high37 Ų378 Ų823%0.2275%0.045CC..Hα-helixtrans-101.7-14.2-174.4630000114.5E342 N343 Y560 L585 F587E342-T346 PolarHBondContact O-N 2.98Å; N343-T346 WeakPolarHBondContact CA-OG1 3.09Å; N343-T346 PolarHBondContact O-N 2.5Å; T346-Y560 HydrophobicContact CG2-CD1 3.88Å; T346-Y560 HydrophobicContact CG2-CE1 3.8Å; T346-L585 WeakPolarHBondContact CA-O 3.48Å; T346-F587 HydrophobicContact CG2-CB 3.97Å
347V94.5Very high93.9Very high30 Ų309.4 Ų9.418%0.1825%0.05CC..SBendtrans-98.8133.5173.4-169.50000109.7N343 D349 C350 L351 W401N343-V347 HydrophobicContact CB-CG2 4.05Å; N343-V347 WeakPolarHBondContact O-CB 3.44Å; N343-V347 VanDerWaalsContact O-CG2 3.32Å; N343-V347 WeakPolarHBondContact O-CG2 3.35Å; N343-V347 PolarHBondContact O-N 3Å; V347-D349 WeakPolarHBondContact CG1-OD1 3.43Å; V347-D349 PolarHBondContact O-N 2.85Å; V347-C350 HydrophobicContact CB-CB 4.43Å; V347-C350 PolarHBondContact O-N 3.01Å; V347-L351 WeakPolarHBondContact O-CB 3.49Å; V347-L351 PolarHBondContact O-N 2.69Å; V347-W401 HydrophobicContact CG1-CB 3.92Å; V347-W401 WeakPolarHBondContact CG1-O 3.45Å
348K94.6Very high92.9Very high24 Ų2411.5 Ų11.510%0.1046%0.061CC..Hα-helixtrans-63.9-38.9-165.8-61.3-171.9-164.8-45.90114.3A352 K399 P400 W401 V428 E584K348-A352 PolarHBondContact O-N 2.85Å; K348-A352 VanDerWaalsContact O-N 3.08Å; K348-K399 HydrophobicContact CD-CB 3.79Å; K348-K399 HydrophobicContact CD-CD 3.99Å; K348-P400 WeakPolarHBondContact CD-O 3.36Å; K348-P400 WeakPolarHBondContact CE-O 3.34Å; K348-W401 PolarHBondContact N-O 2.89Å; K348-W401 VanDerWaalsContact N-O 3.13Å; K348-V428 HydrophobicContact CB-CG1 4.4Å; K348-V428 HydrophobicContact CB-CG2 3.94Å; K348-V428 HydrophobicContact CD-CG2 4.32Å; K348-E584 IonicContact NZ-OE2 2.93Å; K348-E584 PolarHBondContact NZ-OE2 3.3Å
349D94Very high91.2Very high7 Ų716.1 Ų16.14%0.0378%0.082CC..Hα-helixtrans-69.6-39.7178.764.7-25.6000111.6Y258 V347 A352 A353 N372 W401 V428Y258-D349 PolarHBondContact OH-OD2 3.08Å; V347-D349 WeakPolarHBondContact CG1-OD1 3.43Å; V347-D349 PolarHBondContact O-N 2.85Å; D349-A352 PolarHBondContact O-N 3.21Å; D349-A353 WeakPolarHBondContact O-CB 3.42Å; D349-A353 PolarHBondContact O-N 3.34Å; D349-N372 WeakPolarHBondContact CB-ND2 3.36Å; D349-N372 PolarHBondContact OD2-ND2 3.39Å; D349-W401 HydrophobicContact CB-CD2 4.43Å; D349-W401 HydrophobicContact CB-CG 4.22Å; D349-V428 HydrophobicContact CB-CG1 3.64Å
350C94.8Very high89.2Confident2 Ų221 Ų211%0.01413%0.132CC..Hα-helixtrans-65.7-43.4173.6-59.20000111.9I344 V347 A352 A353 I354I344-C350 HydrophobicContact CB-CB 4.3Å; I344-C350 CarbonylContact O-C 3.53Å; I344-C350 VanDerWaalsContact O-C 3.27Å; I344-C350 VanDerWaalsContact O-CB 3.25Å; I344-C350 WeakPolarHBondContact O-CB 3.47Å; V347-C350 HydrophobicContact CB-CB 4.43Å; V347-C350 PolarHBondContact O-N 3.01Å; C350-A352 VanDerWaalsContact C-N 3.27Å; C350-A352 PolarHBondContact O-N 3.1Å; C350-A353 CarbonylContact O-C 3.48Å; C350-A353 WeakPolarHBondContact O-CA 3.49Å; C350-A353 WeakPolarHBondContact O-CB 3.11Å; C350-A353 PolarHBondContact O-N 2.75Å; C350-A353 VanDerWaalsContact O-N 3.09Å; C350-I354 WeakPolarHBondContact O-CG1 3.43Å; C350-I354 PolarHBondContact O-N 3.36Å
351L94.4Very high87.2Confident8 Ų822.8 Ų22.84%0.04215%0.151CC..Hα-helixtrans-56.7-44.1175.5-177.9161.4000110.7I344 V347 I354 G355 L367 F537 L585I344-L351 PolarHBondContact O-N 2.86Å; V347-L351 WeakPolarHBondContact O-CB 3.49Å; V347-L351 PolarHBondContact O-N 2.69Å; L351-I354 PolarHBondContact O-N 2.86Å; L351-G355 PolarHBondContact O-N 2.81Å; L351-L367 HydrophobicContact CD2-CD1 3.41Å; L351-L367 VanDerWaalsContact CD2-CD1 3.41Å; L351-L367 HydrophobicContact CD2-CD2 4.32Å; L351-F537 HydrophobicContact CB-CZ 4.44Å; L351-F537 HydrophobicContact CD1-CZ 4.18Å; L351-F537 HydrophobicContact CG-CE2 3.89Å; L351-F537 HydrophobicContact CG-CZ 3.75Å; L351-L585 HydrophobicContact CD1-CD1 3.58Å
352A93Very high85.6Confident5 Ų528 Ų284%0.04118%0.184CC..Hα-helixtrans-62.1-45.5174.600000112.1K348 D349 C350 I354 G355 H356 T370K348-A352 PolarHBondContact O-N 2.85Å; K348-A352 VanDerWaalsContact O-N 3.08Å; D349-A352 PolarHBondContact O-N 3.21Å; C350-A352 VanDerWaalsContact C-N 3.27Å; C350-A352 PolarHBondContact O-N 3.1Å; A352-I354 VanDerWaalsContact C-N 3.34Å; A352-I354 PolarHBondContact O-N 3.49Å; A352-G355 WeakPolarHBondContact O-CA 3.42Å; A352-G355 PolarHBondContact O-N 2.89Å; A352-H356 PolarHBondContact O-CD2 3.25Å; A352-H356 PolarHBondContact O-N 2.79Å; A352-T370 HydrophobicContact CB-CG2 3.57Å
353A92.5Very high84.7Confident4 Ų429.2 Ų29.23%0.03319%0.19CC..Hα-helixtrans-57.6-42.6175.300000112.7P254 Y259 D349 C350 G355 H356 R357P254-A353 HydrophobicContact CG-CB 3.76Å; Y259-A353 WeakPolarHBondContact OH-CB 3.25Å; D349-A353 WeakPolarHBondContact O-CB 3.42Å; D349-A353 PolarHBondContact O-N 3.34Å; C350-A353 CarbonylContact O-C 3.48Å; C350-A353 WeakPolarHBondContact O-CA 3.49Å; C350-A353 WeakPolarHBondContact O-CB 3.11Å; C350-A353 PolarHBondContact O-N 2.75Å; C350-A353 VanDerWaalsContact O-N 3.09Å; A353-G355 VanDerWaalsContact C-N 3.3Å; A353-G355 PolarHBondContact O-N 3.14Å; A353-H356 WeakPolarHBondContact O-CB 3.32Å; A353-H356 PolarHBondContact O-N 3.35Å; A353-R357 PolarHBondContact O-N 3.22Å
354I92.6Very high84.4Confident0 Ų028.5 Ų28.50%019%0.186CC..Hα-helixtrans-64.2-35.3173.2-62.7-57.3000111.3I344 C350 L351 A352 H356 R357 F537 A540 A541I344-I354 HydrophobicContact CD1-CD1 4.18Å; C350-I354 WeakPolarHBondContact O-CG1 3.43Å; C350-I354 PolarHBondContact O-N 3.36Å; L351-I354 PolarHBondContact O-N 2.86Å; A352-I354 VanDerWaalsContact C-N 3.34Å; A352-I354 PolarHBondContact O-N 3.49Å; I354-H356 VanDerWaalsContact C-N 3.27Å; I354-H356 PolarHBondContact O-N 3.17Å; I354-R357 VanDerWaalsContact CD1-NH1 3.34Å; I354-R357 VanDerWaalsContact CD1-NH2 3.34Å; I354-R357 VanDerWaalsContact O-CB 3.26Å; I354-R357 WeakPolarHBondContact O-CB 3.38Å; I354-R357 PolarHBondContact O-N 2.94Å; I354-F537 HydrophobicContact CB-CE2 4.01Å; I354-F537 HydrophobicContact CG2-CD2 3.93Å; I354-F537 HydrophobicContact CG2-CE2 3.67Å; I354-A540 HydrophobicContact CG2-CB 3.92Å; I354-A541 HydrophobicContact CG2-CB 4.21Å
355G90.1Very high84.3Confident1 Ų133.2 Ų33.21%0.0121%0.212CC..Hα-helixtrans-53.8-44171.200000112.3L351 A352 A353 R357 L358 P364L351-G355 PolarHBondContact O-N 2.81Å; A352-G355 WeakPolarHBondContact O-CA 3.42Å; A352-G355 PolarHBondContact O-N 2.89Å; A353-G355 VanDerWaalsContact C-N 3.3Å; A353-G355 PolarHBondContact O-N 3.14Å; G355-R357 VanDerWaalsContact C-N 3.25Å; G355-R357 PolarHBondContact O-N 3.09Å; G355-L358 PolarHBondContact O-N 3.15Å; G355-P364 WeakPolarHBondContact O-CD 3.31Å
356H86.8Confident84.2Confident17 Ų1733.6 Ų33.68%0.07921%0.213CC..Hα-helixtrans-67.7-20.6177.3-66.4-73.4000114.1V251 E253 A352 A353 I354 K359V251-H356 PolarHBondContact O-ND1 3.19Å; E253-H356 HydrophobicContact CB-CB 4.33Å; A352-H356 PolarHBondContact O-CD2 3.25Å; A352-H356 PolarHBondContact O-N 2.79Å; A353-H356 WeakPolarHBondContact O-CB 3.32Å; A353-H356 PolarHBondContact O-N 3.35Å; I354-H356 VanDerWaalsContact C-N 3.27Å; I354-H356 PolarHBondContact O-N 3.17Å; H356-K359 VanDerWaalsContact O-O 3.1Å
357R87.9Confident84.2Confident31 Ų3132.2 Ų32.212%0.11720%0.204CC..Hα-helixtrans-70.9-31.6177.7-174179.1-61.2166.22113.1E253 A353 I354 G355 K359 A540 S543 R544 Y548E253-R357 IonicContact OE1-CZ 2.81Å; E253-R357 VanDerWaalsContact OE1-CZ 3.22Å; E253-R357 IonicContact OE1-NE 3.79Å; E253-R357 PolarHBondContact OE1-NE 2.93Å; E253-R357 IonicContact OE1-NH2 3.64Å; E253-R357 PolarHBondContact OE1-NH2 3.06Å; E253-R357 WeakPolarHBondContact OE2-CB 3.48Å; E253-R357 WeakPolarHBondContact OE2-CG 3.43Å; E253-R357 IonicContact OE2-NE 3.13Å; E253-R357 PolarHBondContact OE2-NE 3.16Å; A353-R357 PolarHBondContact O-N 3.22Å; I354-R357 VanDerWaalsContact CD1-NH1 3.34Å; I354-R357 VanDerWaalsContact CD1-NH2 3.34Å; I354-R357 VanDerWaalsContact O-CB 3.26Å; I354-R357 WeakPolarHBondContact O-CB 3.38Å; I354-R357 PolarHBondContact O-N 2.94Å; G355-R357 VanDerWaalsContact C-N 3.25Å; G355-R357 PolarHBondContact O-N 3.09Å; R357-K359 PolarHBondContact O-N 3.44Å; R357-K359 VanDerWaalsContact O-N 3.08Å; R357-A540 HydrophobicContact CB-CB 4.39Å; R357-A540 WeakPolarHBondContact CD-O 3.38Å; R357-A540 HydrophobicContact CG-CB 4.41Å; R357-A540 PolarHBondContact NH1-O 2.91Å; R357-S543 VanDerWaalsContact CD-OG 3.24Å; R357-S543 WeakPolarHBondContact CD-OG 3.49Å; R357-R544 VanDerWaalsContact CZ-CD 3.48Å; R357-Y548 VanDerWaalsContact CZ-O 3.29Å; R357-Y548 PolarHBondContact NH1-O 3.32Å; R357-Y548 PolarHBondContact NH2-O 2.95Å
358L75.3Confident84.2Confident45 Ų4531.1 Ų31.124%0.23620%0.198CC..THydrogen-bonded Turntrans-65.4-17.6-167.3-83.8161.6000115.1G355 P364 W366 E536 A540G355-L358 PolarHBondContact O-N 3.15Å; L358-P364 HydrophobicContact CD1-CG 4.25Å; L358-W366 HydrophobicContact CD1-CH2 3.58Å; L358-W366 HydrophobicContact CD1-CZ2 3.17Å; L358-E536 HydrophobicContact CD2-CB 4.34Å; L358-E536 WeakPolarHBondContact CD2-O 3.06Å; L358-A540 HydrophobicContact CD1-CB 4.07Å; L358-A540 HydrophobicContact CD2-CB 3.3Å; L358-A540 HydrophobicContact CG-CB 3.31Å
359K61.8Low84.1Confident97 Ų9733.3 Ų33.342%0.42221%0.209SC..  trans-148.7134.4177.2-61.3-177.8-177.5173.10106H356 R357 G361H356-K359 VanDerWaalsContact O-O 3.1Å; R357-K359 PolarHBondContact O-N 3.44Å; R357-K359 VanDerWaalsContact O-N 3.08Å; K359-G361 PolarHBondContact O-N 3.34Å
360G54.6Low84.2Confident104 Ų10433.4 Ų33.4100%1.07221%0.209SC*.SBendtrans-67.140.9165.400000112.8
361G54.7Low84.2Confident37 Ų3733.8 Ų33.838%0.38121%0.211SC..SBendtrans-160.5-159-167.300000112K359K359-G361 PolarHBondContact O-N 3.34Å
362P63.2Low84.2Confident114 Ų11433.7 Ų33.774%0.7421%0.21SC*.SBendtrans-64154.9-175.226.1-33.2000112.9
363M75.5Confident84.3Confident29 Ų2933.5 Ų33.514%0.14321%0.208CC..PPolyproline II helixtrans-49.2146-179.2-118.6-166.750.100113L367 P368 T370M363-L367 HydrophobicContact CE-CB 3.68Å; M363-L367 HydrophobicContact CE-CD2 3.83Å; M363-L367 HydrophobicContact CE-CG 3.67Å; M363-L367 WeakPolarHBondContact CE-O 3.34Å; M363-L367 HydrophobicContact SD-CD2 4.13Å; M363-P368 WeakPolarHBondContact CE-O 3.17Å; M363-T370 PolarHBondContact SD-N 2.74Å
364P88.6Confident84.3Confident3 Ų336.4 Ų36.42%0.01922%0.221CC..PPolyproline II helixtrans-64.3140-179.625.4-33.3000111.1G355 L358 W366 L367G355-P364 WeakPolarHBondContact O-CD 3.31Å; L358-P364 HydrophobicContact CD1-CG 4.25Å; P364-W366 HydrophobicContact CB-CD2 3.99Å; P364-W366 HydrophobicContact CB-CG 4.32Å; P364-W366 HydrophobicContact CB-CZ2 3.97Å; P364-W366 HydrophobicContact CG-CD2 4.18Å; P364-W366 HydrophobicContact CG-CE3 4.35Å; P364-W366 HydrophobicContact CG-CH2 3.9Å; P364-W366 HydrophobicContact CG-CZ2 3.84Å; P364-W366 HydrophobicContact CG-CZ3 4.18Å; P364-W366 PolarHBondContact O-N 3.47Å; P364-L367 HydrophobicContact CG-CB 4.03Å; P364-L367 PolarHBondContact O-N 3.2Å
365D90.6Very high84.2Confident102 Ų10239.9 Ų39.955%0.54524%0.243SC..THydrogen-bonded Turntrans-59.9-22-175.2-57.8-50.6000113.1L367 Q579 Q581D365-L367 VanDerWaalsContact C-N 3.33Å; D365-Q579 HydrophobicContact CB-CG 4.39Å; D365-Q579 WeakPolarHBondContact O-CG 3.31Å; D365-Q581 PolarHBondContact O-NE2 2.84Å
366W93.9Very high84.4Confident9 Ų940.7 Ų40.73%0.03425%0.246CC..THydrogen-bonded Turntrans-83.6-2.1178.555.6-110.2000115.2L358 P364 A533 E536 F537 P580 Q581 I582L358-W366 HydrophobicContact CD1-CH2 3.58Å; L358-W366 HydrophobicContact CD1-CZ2 3.17Å; P364-W366 HydrophobicContact CB-CD2 3.99Å; P364-W366 HydrophobicContact CB-CG 4.32Å; P364-W366 HydrophobicContact CB-CZ2 3.97Å; P364-W366 HydrophobicContact CG-CD2 4.18Å; P364-W366 HydrophobicContact CG-CE3 4.35Å; P364-W366 HydrophobicContact CG-CH2 3.9Å; P364-W366 HydrophobicContact CG-CZ2 3.84Å; P364-W366 HydrophobicContact CG-CZ3 4.18Å; P364-W366 PolarHBondContact O-N 3.47Å; W366-A533 HydrophobicContact CB-CB 3.68Å; W366-A533 HydrophobicContact CD2-CB 4.04Å; W366-A533 HydrophobicContact CG-CB 3.52Å; W366-E536 HydrophobicContact CZ2-CB 4.28Å; W366-E536 PolarHBondContact NE1-OE2 3.13Å; W366-F537 HydrophobicContact CH2-CB 3.62Å; W366-F537 AromaticContact CH2-CD2 3.67Å; W366-F537 HydrophobicContact CH2-CD2 3.67Å; W366-F537 HydrophobicContact CH2-CG 4.02Å; W366-F537 HydrophobicContact CZ2-CB 3.9Å; W366-F537 HydrophobicContact CZ3-CB 4.3Å; W366-F537 HydrophobicContact CZ3-CD2 4.23Å; W366-P580 WeakPolarHBondContact CA-O 3.43Å; W366-P580 HydrophobicContact CB-CB 4.34Å; W366-Q581 CarbonylContact O-C 3.54Å; W366-Q581 VanDerWaalsContact O-CA 3.22Å; W366-Q581 WeakPolarHBondContact O-CA 3.49Å; W366-I582 HydrophobicContact CD2-CD1 4.37Å; W366-I582 HydrophobicContact CE3-CB 4.26Å; W366-I582 HydrophobicContact CE3-CD1 3.65Å; W366-I582 HydrophobicContact CE3-CG1 4.05Å; W366-I582 HydrophobicContact CZ3-CD1 3.9Å; W366-I582 PolarHBondContact O-N 3.19Å
367L93.8Very high84.8Confident7 Ų739.9 Ų39.94%0.03724%0.243CC..SBendtrans-114.6131.8174.8-173.767.7000109L351 M363 P364 D365L351-L367 HydrophobicContact CD2-CD1 3.41Å; L351-L367 VanDerWaalsContact CD2-CD1 3.41Å; L351-L367 HydrophobicContact CD2-CD2 4.32Å; M363-L367 HydrophobicContact CE-CB 3.68Å; M363-L367 HydrophobicContact CE-CD2 3.83Å; M363-L367 HydrophobicContact CE-CG 3.67Å; M363-L367 WeakPolarHBondContact CE-O 3.34Å; M363-L367 HydrophobicContact SD-CD2 4.13Å; P364-L367 HydrophobicContact CG-CB 4.03Å; P364-L367 PolarHBondContact O-N 3.2Å; D365-L367 VanDerWaalsContact C-N 3.33Å
368P94.8Very high85.2Confident8 Ų838.7 Ų38.75%0.05224%0.239CC..  trans-64134.9171.7-20.932.7000111.1M363 T370 L433 Q581 I582 L583M363-P368 WeakPolarHBondContact CE-O 3.17Å; P368-T370 PolarHBondContact O-N 3.16Å; P368-T370 PolarHBondContact O-OG1 2.74Å; P368-L433 HydrophobicContact CG-CD2 4.31Å; P368-Q581 HydrophobicContact CG-CB 4.13Å; P368-I582 WeakPolarHBondContact CD-O 3.28Å; P368-L583 HydrophobicContact CG-CD2 4.16Å
369E93.8Very high86.2Confident70 Ų7039.5 Ų39.533%0.32724%0.241SC..  trans-45.3118177.4-67.1176.9169.500110.6H383 R387 W396 C430 K431E369-H383 IonicContact OE2-CE1 3.58Å; E369-H383 IonicContact OE2-NE2 2.85Å; E369-H383 PolarHBondContact OE2-NE2 3.11Å; E369-R387 IonicContact OE2-NH1 2.64Å; E369-W396 HydrophobicContact CB-CZ3 4.49Å; E369-C430 CarbonylContact O-C 3.55Å; E369-C430 VanDerWaalsContact O-CA 3.31Å; E369-C430 WeakPolarHBondContact O-CA 3.45Å; E369-K431 HydrophobicContact CB-CB 3.99Å; E369-K431 PolarHBondContact O-N 2.86Å
370T94.8Very high87.9Confident8 Ų834.9 Ų34.95%0.04922%0.221CC..EExtended strand (participates in β ladder)trans-132.4138.9-170.4-640000110.2A352 M363 P368 V428 V429 C430A352-T370 HydrophobicContact CB-CG2 3.57Å; M363-T370 PolarHBondContact SD-N 2.74Å; P368-T370 PolarHBondContact O-N 3.16Å; P368-T370 PolarHBondContact O-OG1 2.74Å; T370-V428 HydrophobicContact CG2-CB 3.8Å; T370-V428 HydrophobicContact CG2-CG1 4.2Å; T370-V428 HydrophobicContact CG2-CG2 4.26Å; T370-V429 CarbonylContact C-O 3.59Å; T370-V429 WeakPolarHBondContact CA-O 3.44Å; T370-C430 WeakPolarHBondContact CG2-SG 3.16Å; T370-C430 PolarHBondContact OG1-SG 2.8Å
371F95.2Very high89.9Confident11 Ų1129.9 Ų29.95%0.04817%0.17CC..EExtended strand (participates in β ladder)trans-129.7140.6176.6-56.4-107000109.5V251 L373 E376 H379 F380 H383 W396 V428 V429V251-F371 HydrophobicContact CG2-CD1 3.48Å; V251-F371 VanDerWaalsContact CG2-CD1 3.48Å; V251-F371 HydrophobicContact CG2-CE1 3.35Å; V251-F371 HydrophobicContact CG2-CZ 4.43Å; F371-L373 PolarHBondContact O-N 2.83Å; F371-E376 VanDerWaalsContact CA-OE2 3.23Å; F371-E376 WeakPolarHBondContact CA-OE2 3.46Å; F371-E376 HydrophobicContact CB-CB 4.29Å; F371-H379 HydrophobicContact CD1-CB 4.47Å; F371-H379 HydrophobicContact CE1-CB 4.44Å; F371-F380 HydrophobicContact CB-CB 3.9Å; F371-F380 HydrophobicContact CB-CD2 4.38Å; F371-F380 HydrophobicContact CB-CG 4.44Å; F371-F380 HydrophobicContact CD1-CB 3.8Å; F371-F380 HydrophobicContact CD2-CB 4.36Å; F371-F380 AromaticContact CD2-CD2 3.73Å; F371-F380 HydrophobicContact CD2-CD2 3.73Å; F371-F380 HydrophobicContact CD2-CG 4.5Å; F371-F380 HydrophobicContact CE1-CB 4.41Å; F371-F380 HydrophobicContact CE2-CD2 4.15Å; F371-F380 HydrophobicContact CG-CB 3.78Å; F371-F380 HydrophobicContact CG-CD2 4.01Å; F371-F380 HydrophobicContact CG-CG 4.34Å; F371-H383 HydrophobicContact CE1-CB 4.28Å; F371-H383 HydrophobicContact CZ-CB 3.9Å; F371-H383 AromaticContact CZ-CD2 3.96Å; F371-H383 AromaticContact CZ-CG 3.74Å; F371-W396 HydrophobicContact CD2-CH2 4.43Å; F371-W396 HydrophobicContact CD2-CZ3 4.09Å; F371-W396 AromaticContact CE2-CH2 3.87Å; F371-W396 HydrophobicContact CE2-CH2 3.87Å; F371-W396 AromaticContact CE2-CZ3 3.94Å; F371-W396 HydrophobicContact CE2-CZ3 3.94Å; F371-V428 CarbonylContact O-C 3.36Å; F371-V428 VanDerWaalsContact O-CA 3.28Å; F371-V428 WeakPolarHBondContact O-CA 3.47Å; F371-V429 HydrophobicContact CB-CG1 3.79Å; F371-V429 HydrophobicContact CD2-CG1 4.44Å; F371-V429 PolarHBondContact N-O 2.92Å; F371-V429 PolarHBondContact O-N 2.98Å
372N95.1Very high91.9Very high6 Ų630 Ų303%0.03216%0.16CC..EExtended strand (participates in β ladder)trans-78.1113.9171.1-174.9-29000109.8D349 Q374 T375 E376 W401D349-N372 WeakPolarHBondContact CB-ND2 3.36Å; D349-N372 PolarHBondContact OD2-ND2 3.39Å; N372-Q374 PolarHBondContact O-N 3.36Å; N372-Q374 PolarHBondContact OD1-N 2.69Å; N372-T375 WeakPolarHBondContact CB-OG1 3.49Å; N372-T375 PolarHBondContact O-N 2.98Å; N372-E376 HydrophobicContact CB-CG 4.47Å; N372-E376 PolarHBondContact N-OE2 3.46Å; N372-E376 WeakPolarHBondContact O-CA 3.4Å; N372-E376 WeakPolarHBondContact O-CB 3.04Å; N372-E376 PolarHBondContact O-N 3.39Å; N372-W401 VanDerWaalsContact OD1-CZ2 3.31Å; N372-W401 WeakPolarHBondContact OD1-CZ2 3.02Å
373L95.4Very high93.5Very high0 Ų025.6 Ų25.60%013%0.129CC..THydrogen-bonded Turntrans-73.427.1173.4-62.7179.5000112.4F371 L377 F380 I418 Q421 R422 K427 V429F371-L373 PolarHBondContact O-N 2.83Å; L373-L377 HydrophobicContact CD2-CD1 3.86Å; L373-F380 HydrophobicContact CD2-CD1 4.22Å; L373-I418 HydrophobicContact CD1-CG2 4.26Å; L373-I418 HydrophobicContact CD2-CG2 4.19Å; L373-Q421 HydrophobicContact CD1-CB 4.28Å; L373-R422 VanDerWaalsContact C-NE 3.31Å; L373-R422 HydrophobicContact CB-CG 3.99Å; L373-R422 WeakPolarHBondContact O-CD 3.22Å; L373-R422 WeakPolarHBondContact O-CG 3.34Å; L373-R422 PolarHBondContact O-NE 3.47Å; L373-R422 PolarHBondContact O-NH1 3.18Å; L373-R422 PolarHBondContact O-NH2 3.02Å; L373-K427 WeakPolarHBondContact CB-O 3.45Å; L373-K427 HydrophobicContact CD1-CB 4.19Å; L373-K427 PolarHBondContact N-O 3.44Å; L373-V429 HydrophobicContact CD1-CB 4.1Å; L373-V429 HydrophobicContact CD2-CB 3.99Å; L373-V429 HydrophobicContact CD2-CG1 3.52Å; L373-V429 HydrophobicContact CG-CB 3.93Å; L373-V429 HydrophobicContact CG-CG1 3.86Å
374Q91.5Very high94.5Very high65 Ų6524.5 Ų24.530%0.30412%0.124SC..THydrogen-bonded Turntrans-118.6-41.8158.2-68.5-62-15.900111.2N372 W401 R422 P426N372-Q374 PolarHBondContact O-N 3.36Å; N372-Q374 PolarHBondContact OD1-N 2.69Å; Q374-W401 HydrophobicContact CB-CH2 4.14Å; Q374-W401 HydrophobicContact CB-CZ2 3.8Å; Q374-W401 HydrophobicContact CG-CH2 3.96Å; Q374-W401 HydrophobicContact CG-CZ2 3.62Å; Q374-R422 VanDerWaalsContact C-NH1 3.35Å; Q374-R422 VanDerWaalsContact CA-NH1 3.27Å; Q374-R422 PolarHBondContact NE2-O 3.14Å; Q374-R422 PolarHBondContact O-NH1 3.19Å; Q374-R422 PolarHBondContact O-NH2 2.78Å; Q374-P426 HydrophobicContact CG-CB 4.22Å
375T91Very high94.9Very high73 Ų7325.7 Ų25.745%0.44813%0.129SC..THydrogen-bonded Turntrans-98.2-21.6-175.652.70000114.3Y258 N372Y258-T375 HydrophobicContact CD2-CG2 4.5Å; N372-T375 WeakPolarHBondContact CB-OG1 3.49Å; N372-T375 PolarHBondContact O-N 2.98Å
376E94.3Very high95.2Very high19 Ų1923.2 Ų23.29%0.08912%0.115CC..  trans-122.716.8-165.3-64.6165.5176.200114.5V251 F371 N372 P378 H379 F380V251-E376 HydrophobicContact CG1-CG 4.32Å; V251-E376 VanDerWaalsContact CG1-OE1 3.3Å; V251-E376 WeakPolarHBondContact CG1-OE1 3.49Å; F371-E376 VanDerWaalsContact CA-OE2 3.23Å; F371-E376 WeakPolarHBondContact CA-OE2 3.46Å; F371-E376 HydrophobicContact CB-CB 4.29Å; N372-E376 HydrophobicContact CB-CG 4.47Å; N372-E376 PolarHBondContact N-OE2 3.46Å; N372-E376 WeakPolarHBondContact O-CA 3.4Å; N372-E376 WeakPolarHBondContact O-CB 3.04Å; N372-E376 PolarHBondContact O-N 3.39Å; E376-P378 VanDerWaalsContact C-CD 3.43Å; E376-H379 PolarHBondContact O-N 3.2Å; E376-F380 PolarHBondContact O-N 3.45Å
377L95.8Very high95.3Very high0 Ų023.9 Ų23.90%012%0.118CC..Hα-helixtrans-48.3-50.7179.5-154.346.3000113.1L231 C234 L373 H379 F380 I381 I419 R422L231-L377 HydrophobicContact CD2-CB 4.02Å; C234-L377 HydrophobicContact CB-CB 4.43Å; C234-L377 HydrophobicContact CB-CD2 3.42Å; C234-L377 VanDerWaalsContact CB-CD2 3.42Å; C234-L377 HydrophobicContact CB-CG 3.89Å; L373-L377 HydrophobicContact CD2-CD1 3.86Å; L377-H379 VanDerWaalsContact C-N 3.31Å; L377-H379 PolarHBondContact O-N 2.9Å; L377-F380 PolarHBondContact O-N 2.9Å; L377-I381 HydrophobicContact CD1-CD1 4.13Å; L377-I381 HydrophobicContact CD1-CG1 4.41Å; L377-I381 HydrophobicContact CD2-CD1 4.29Å; L377-I381 HydrophobicContact CG-CD1 3.64Å; L377-I381 HydrophobicContact CG-CG1 4.38Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 3.24Å; L377-I419 HydrophobicContact CD1-CG1 4.48Å; L377-R422 VanDerWaalsContact CB-CZ 3.43Å; L377-R422 VanDerWaalsContact CD1-NE 3.33Å; L377-R422 VanDerWaalsContact CD2-NE 3.33Å
378P96.3Very high95.4Very high6 Ų630.3 Ų30.34%0.03914%0.142CC..Hα-helixtrans-65.5-40.8-171.1-21.735.3000110.7L230 L231 V247 E376 I381 K382L230-P378 HydrophobicContact CD1-CB 4.3Å; L230-P378 HydrophobicContact CD2-CB 3.8Å; L230-P378 HydrophobicContact CD2-CG 3.73Å; L230-P378 HydrophobicContact CG-CB 3.96Å; L230-P378 HydrophobicContact CG-CG 3.74Å; L231-P378 HydrophobicContact CD2-CG 3.92Å; V247-P378 HydrophobicContact CG1-CB 3.73Å; V247-P378 WeakPolarHBondContact CG1-O 3.42Å; V247-P378 HydrophobicContact CG2-CB 4.45Å; E376-P378 VanDerWaalsContact C-CD 3.43Å; P378-I381 PolarHBondContact O-N 2.79Å; P378-K382 WeakPolarHBondContact O-CB 3.4Å; P378-K382 PolarHBondContact O-N 3.39Å
379H95.4Very high95.4Very high61 Ų6136.8 Ų36.828%0.28218%0.175SC..Hα-helixtrans-63.8-43.8177.2-55.991.6000111.2S248 A250 V251 F371 E376 L377 K382 H383S248-H379 WeakPolarHBondContact O-CA 3.28Å; S248-H379 PolarHBondContact O-CD2 3.45Å; A250-H379 PolarHBondContact O-CD2 3.44Å; A250-H379 VanDerWaalsContact O-CD2 3.22Å; V251-H379 HydrophobicContact CG2-CB 3.91Å; F371-H379 HydrophobicContact CD1-CB 4.47Å; F371-H379 HydrophobicContact CE1-CB 4.44Å; E376-H379 PolarHBondContact O-N 3.2Å; L377-H379 VanDerWaalsContact C-N 3.31Å; L377-H379 PolarHBondContact O-N 2.9Å; H379-K382 PolarHBondContact O-N 3.07Å; H379-H383 VanDerWaalsContact O-CB 3.24Å; H379-H383 WeakPolarHBondContact O-CB 3.49Å; H379-H383 PolarHBondContact O-N 3.24Å
380F96.9Very high95.6Very high0 Ų040.2 Ų40.20%019%0.185CC..Hα-helixtrans-60.4-51.3175.8168.8-106.8000112.1F371 L373 E376 L377 K382 H383 Y384 W396 L415 I418 V429F371-F380 HydrophobicContact CB-CB 3.9Å; F371-F380 HydrophobicContact CB-CD2 4.38Å; F371-F380 HydrophobicContact CB-CG 4.44Å; F371-F380 HydrophobicContact CD1-CB 3.8Å; F371-F380 HydrophobicContact CD2-CB 4.36Å; F371-F380 AromaticContact CD2-CD2 3.73Å; F371-F380 HydrophobicContact CD2-CD2 3.73Å; F371-F380 HydrophobicContact CD2-CG 4.5Å; F371-F380 HydrophobicContact CE1-CB 4.41Å; F371-F380 HydrophobicContact CE2-CD2 4.15Å; F371-F380 HydrophobicContact CG-CB 3.78Å; F371-F380 HydrophobicContact CG-CD2 4.01Å; F371-F380 HydrophobicContact CG-CG 4.34Å; L373-F380 HydrophobicContact CD2-CD1 4.22Å; E376-F380 PolarHBondContact O-N 3.45Å; L377-F380 PolarHBondContact O-N 2.9Å; F380-K382 VanDerWaalsContact C-N 3.3Å; F380-K382 PolarHBondContact O-N 3.04Å; F380-H383 WeakPolarHBondContact O-CB 3.45Å; F380-H383 PolarHBondContact O-N 2.82Å; F380-Y384 HydrophobicContact CZ-CD2 4.01Å; F380-Y384 HydrophobicContact CZ-CG 4.47Å; F380-Y384 VanDerWaalsContact O-CB 3.31Å; F380-Y384 WeakPolarHBondContact O-CB 3.45Å; F380-Y384 PolarHBondContact O-N 2.72Å; F380-W396 HydrophobicContact CD2-CH2 4.46Å; F380-W396 HydrophobicContact CD2-CZ3 4.42Å; F380-W396 AromaticContact CE2-CD2 3.66Å; F380-W396 HydrophobicContact CE2-CD2 3.66Å; F380-W396 AromaticContact CE2-CE2 3.69Å; F380-W396 AromaticContact CE2-CE3 3.78Å; F380-W396 HydrophobicContact CE2-CE3 3.78Å; F380-W396 HydrophobicContact CE2-CG 4.22Å; F380-W396 HydrophobicContact CE2-CH2 4.06Å; F380-W396 AromaticContact CE2-CZ2 3.9Å; F380-W396 HydrophobicContact CE2-CZ2 3.9Å; F380-W396 AromaticContact CE2-CZ3 3.99Å; F380-W396 HydrophobicContact CE2-CZ3 3.99Å; F380-W396 HydrophobicContact CZ-CD2 4.21Å; F380-W396 HydrophobicContact CZ-CG 4.31Å; F380-L415 HydrophobicContact CE1-CD1 3.92Å; F380-I418 HydrophobicContact CD1-CG2 4.31Å; F380-I418 HydrophobicContact CE1-CB 4.28Å; F380-I418 HydrophobicContact CE1-CD1 4.46Å; F380-I418 HydrophobicContact CE1-CG2 3.41Å; F380-I418 VanDerWaalsContact CE1-CG2 3.41Å; F380-I418 HydrophobicContact CZ-CD1 3.96Å; F380-I418 HydrophobicContact CZ-CG2 3.76Å; F380-V429 HydrophobicContact CB-CG1 4.48Å; F380-V429 HydrophobicContact CD1-CG1 4.16Å; F380-V429 HydrophobicContact CD2-CG1 3.51Å; F380-V429 HydrophobicContact CE1-CG1 4.34Å; F380-V429 HydrophobicContact CE2-CB 4.46Å; F380-V429 HydrophobicContact CE2-CG1 3.71Å; F380-V429 HydrophobicContact CE2-CG2 3.85Å; F380-V429 HydrophobicContact CG-CG1 3.75Å; F380-V429 HydrophobicContact CZ-CG1 4.14Å; F380-V429 HydrophobicContact CZ-CG2 3.91Å
381I97.8Very high95.7Very high0 Ų043.2 Ų43.20%022%0.218CC..Hα-helixtrans-59.8-45.4-179.9-69.1157.1000110.2C234 L237 L244 L377 P378 H383 Y384 Q385 L415 I419C234-I381 HydrophobicContact CB-CD1 3.47Å; C234-I381 VanDerWaalsContact CB-CD1 3.47Å; L237-I381 HydrophobicContact CD1-CB 4.43Å; L237-I381 HydrophobicContact CD1-CD1 3.47Å; L237-I381 VanDerWaalsContact CD1-CD1 3.47Å; L237-I381 HydrophobicContact CD1-CG1 4.08Å; L237-I381 HydrophobicContact CD1-CG2 3.63Å; L244-I381 HydrophobicContact CD1-CB 3.65Å; L244-I381 HydrophobicContact CD1-CD1 4.07Å; L244-I381 HydrophobicContact CD1-CG2 3.48Å; L244-I381 VanDerWaalsContact CD1-CG2 3.48Å; L244-I381 HydrophobicContact CG-CG2 4.32Å; L377-I381 HydrophobicContact CD1-CD1 4.13Å; L377-I381 HydrophobicContact CD1-CG1 4.41Å; L377-I381 HydrophobicContact CD2-CD1 4.29Å; L377-I381 HydrophobicContact CG-CD1 3.64Å; L377-I381 HydrophobicContact CG-CG1 4.38Å; L377-I381 WeakPolarHBondContact O-CG1 3.39Å; L377-I381 PolarHBondContact O-N 3.24Å; P378-I381 PolarHBondContact O-N 2.79Å; I381-H383 VanDerWaalsContact C-N 3.31Å; I381-H383 PolarHBondContact O-N 2.98Å; I381-Y384 WeakPolarHBondContact O-CB 3.36Å; I381-Y384 PolarHBondContact O-N 3.29Å; I381-Q385 HydrophobicContact CG2-CG 4.25Å; I381-Q385 WeakPolarHBondContact O-CB 3.41Å; I381-Q385 WeakPolarHBondContact O-CG 3.31Å; I381-Q385 PolarHBondContact O-N 3.42Å; I381-L415 HydrophobicContact CG1-CD1 4.3Å; I381-L415 HydrophobicContact CG2-CD2 4.38Å; I381-I419 HydrophobicContact CD1-CD1 4.07Å; I381-I419 HydrophobicContact CD1-CG1 4.34Å; I381-I419 HydrophobicContact CG1-CD1 4.18Å; I381-I419 HydrophobicContact CG1-CG1 4.36Å
382K96.9Very high95.7Very high39 Ų3945.8 Ų45.817%0.1723%0.23CC..Hα-helixtrans-60.3-45.8178.6-172.364.2171.7-174.50111.1D243 V247 P378 H379 F380 Q385 L386D243-K382 PolarHBondContact O-NZ 3.42Å; V247-K382 HydrophobicContact CB-CB 4.49Å; V247-K382 HydrophobicContact CG1-CB 4.17Å; V247-K382 WeakPolarHBondContact O-CG 3.49Å; P378-K382 WeakPolarHBondContact O-CB 3.4Å; P378-K382 PolarHBondContact O-N 3.39Å; H379-K382 PolarHBondContact O-N 3.07Å; F380-K382 VanDerWaalsContact C-N 3.3Å; F380-K382 PolarHBondContact O-N 3.04Å; K382-Q385 PolarHBondContact O-N 2.73Å; K382-L386 HydrophobicContact CG-CD1 4.28Å; K382-L386 VanDerWaalsContact O-CG 3.28Å; K382-L386 WeakPolarHBondContact O-CG 3.48Å; K382-L386 PolarHBondContact O-N 3.21Å
383H96.1Very high95.7Very high21 Ų2147.3 Ų47.310%0.09724%0.238CC..Hα-helixtrans-59-48.1176.1-175.390.6000111.5E369 F371 H379 F380 I381 Q385 L386 R387 W396E369-H383 IonicContact OE2-CE1 3.58Å; E369-H383 IonicContact OE2-NE2 2.85Å; E369-H383 PolarHBondContact OE2-NE2 3.11Å; F371-H383 HydrophobicContact CE1-CB 4.28Å; F371-H383 HydrophobicContact CZ-CB 3.9Å; F371-H383 AromaticContact CZ-CD2 3.96Å; F371-H383 AromaticContact CZ-CG 3.74Å; H379-H383 VanDerWaalsContact O-CB 3.24Å; H379-H383 WeakPolarHBondContact O-CB 3.49Å; H379-H383 PolarHBondContact O-N 3.24Å; F380-H383 WeakPolarHBondContact O-CB 3.45Å; F380-H383 PolarHBondContact O-N 2.82Å; I381-H383 VanDerWaalsContact C-N 3.31Å; I381-H383 PolarHBondContact O-N 2.98Å; H383-Q385 PolarHBondContact O-N 2.84Å; H383-L386 PolarHBondContact O-N 3.06Å; H383-R387 VanDerWaalsContact NE2-CD 3.34Å; H383-R387 WeakPolarHBondContact NE2-CD 3.31Å; H383-R387 WeakPolarHBondContact O-CG 3.42Å; H383-R387 PolarHBondContact O-N 3.18Å; H383-W396 AromaticContact CD2-CH2 3.86Å
384Y97.5Very high95.8Very high6 Ų648 Ų482%0.02424%0.242CC..Hα-helixtrans-57.2-46.7177.2177-76.5000112.1F380 I381 R387 R388 N394 W396 S413 L415F380-Y384 HydrophobicContact CZ-CD2 4.01Å; F380-Y384 HydrophobicContact CZ-CG 4.47Å; F380-Y384 VanDerWaalsContact O-CB 3.31Å; F380-Y384 WeakPolarHBondContact O-CB 3.45Å; F380-Y384 PolarHBondContact O-N 2.72Å; I381-Y384 WeakPolarHBondContact O-CB 3.36Å; I381-Y384 PolarHBondContact O-N 3.29Å; Y384-R387 PolarHBondContact O-N 3.01Å; Y384-R388 VanDerWaalsContact CE1-NH2 3.3Å; Y384-R388 PolarHBondContact O-N 3.22Å; Y384-R388 PolarHBondContact OH-NH2 2.82Å; Y384-N394 HydrophobicContact CD2-CB 4.45Å; Y384-N394 HydrophobicContact CE2-CB 3.91Å; Y384-N394 PolarHBondContact O-ND2 3.27Å; Y384-W396 AromaticContact CD2-CD1 3.87Å; Y384-W396 AromaticContact CD2-NE1 3.43Å; Y384-W396 AromaticContact CE2-CD1 3.99Å; Y384-W396 AromaticContact CE2-NE1 3.87Å; Y384-S413 PolarHBondContact OH-O 2.65Å; Y384-L415 HydrophobicContact CD1-CB 4.27Å; Y384-L415 HydrophobicContact CD1-CD1 3.89Å; Y384-L415 HydrophobicContact CD1-CD2 3.82Å; Y384-L415 HydrophobicContact CD1-CG 4.21Å; Y384-L415 HydrophobicContact CD2-CD1 4.18Å; Y384-L415 HydrophobicContact CE1-CB 3.75Å; Y384-L415 HydrophobicContact CE1-CD1 4.23Å; Y384-L415 HydrophobicContact CE1-CD2 3.93Å; Y384-L415 HydrophobicContact CE1-CG 4.18Å; Y384-L415 HydrophobicContact CE2-CB 4.39Å; Y384-L415 HydrophobicContact CE2-CD1 4.49Å; Y384-L415 HydrophobicContact CG-CD1 3.91Å
385Q96.8Very high96.1Very high28 Ų2846.3 Ų46.313%0.13123%0.234CC..Hα-helixtrans-63-43.2177.7-73.4173-19.300111.3D242 D243 I381 K382 H383 R387 R388 L389D242-Q385 PolarHBondContact O-NE2 3.19Å; D243-Q385 PolarHBondContact O-OE1 3.41Å; D243-Q385 VanDerWaalsContact O-OE1 3.1Å; I381-Q385 HydrophobicContact CG2-CG 4.25Å; I381-Q385 WeakPolarHBondContact O-CB 3.41Å; I381-Q385 WeakPolarHBondContact O-CG 3.31Å; I381-Q385 PolarHBondContact O-N 3.42Å; K382-Q385 PolarHBondContact O-N 2.73Å; H383-Q385 PolarHBondContact O-N 2.84Å; Q385-R387 PolarHBondContact O-N 2.97Å; Q385-R388 WeakPolarHBondContact O-CB 3.45Å; Q385-R388 PolarHBondContact O-N 2.82Å; Q385-L389 WeakPolarHBondContact O-CG 3.42Å; Q385-L389 PolarHBondContact O-N 3.46Å
386L95.9Very high96.5Very high50 Ų5042.9 Ų42.926%0.26221%0.213SC..Hα-helixtrans-64.7-38.1176.8-69.5172.8000112.6K382 H383 L389 R390K382-L386 HydrophobicContact CG-CD1 4.28Å; K382-L386 VanDerWaalsContact O-CG 3.28Å; K382-L386 WeakPolarHBondContact O-CG 3.48Å; K382-L386 PolarHBondContact O-N 3.21Å; H383-L386 PolarHBondContact O-N 3.06Å; L386-L389 HydrophobicContact CD2-CD1 4.47Å; L386-L389 PolarHBondContact O-N 3.46Å; L386-R390 WeakPolarHBondContact O-CG 3.49Å; L386-R390 PolarHBondContact O-N 3.31Å; L386-R390 VanDerWaalsContact O-N 3.15Å; L386-R390 PolarHBondContact O-NE 3.4Å; L386-R390 VanDerWaalsContact O-NE 3.1Å
387R95.7Very high96.7Very high23 Ų2342.8 Ų42.89%0.08721%0.213CC..Hα-helixtrans-62.5-43.8172.7-71.6-176.372.971.810.1111.2E369 H383 Y384 Q385 L389 R390 G391 E392 D393 N394E369-R387 IonicContact OE2-NH1 2.64Å; H383-R387 VanDerWaalsContact NE2-CD 3.34Å; H383-R387 WeakPolarHBondContact NE2-CD 3.31Å; H383-R387 WeakPolarHBondContact O-CG 3.42Å; H383-R387 PolarHBondContact O-N 3.18Å; Y384-R387 PolarHBondContact O-N 3.01Å; Q385-R387 PolarHBondContact O-N 2.97Å; R387-L389 PolarHBondContact O-N 2.83Å; R387-R390 CarbonylContact O-C 3.58Å; R387-R390 PolarHBondContact O-N 3.28Å; R387-R390 VanDerWaalsContact O-N 3.13Å; R387-G391 PolarHBondContact O-N 3.25Å; R387-G391 VanDerWaalsContact O-N 3.15Å; R387-E392 HydrophobicContact CB-CB 4.17Å; R387-E392 IonicContact CZ-OE2 3.36Å; R387-E392 IonicContact NE-OE2 3.68Å; R387-E392 IonicContact NH1-OE2 3.94Å; R387-E392 PolarHBondContact NH1-OE2 3.08Å; R387-E392 IonicContact NH2-OE2 2.76Å; R387-E392 PolarHBondContact NH2-OE2 2.83Å; R387-E392 PolarHBondContact O-N 3.39Å; R387-D393 VanDerWaalsContact CZ-O 3.31Å; R387-D393 PolarHBondContact NE-O 2.86Å; R387-D393 PolarHBondContact NH2-O 3.45Å; R387-N394 VanDerWaalsContact CB-OD1 3.26Å; R387-N394 WeakPolarHBondContact CB-OD1 3.32Å; R387-N394 VanDerWaalsContact CD-OD1 3.28Å; R387-N394 WeakPolarHBondContact CD-OD1 3.43Å; R387-N394 PolarHBondContact NE-OD1 2.94Å
388R96.1Very high96.7Very high142 Ų14242.8 Ų42.854%0.53621%0.213SC..Hα-helixtrans-59.8-46.1176.9-175.8-177.1-76.2-177.6-8.3111.2Y384 Q385 R390 G391 N394Y384-R388 VanDerWaalsContact CE1-NH2 3.3Å; Y384-R388 PolarHBondContact O-N 3.22Å; Y384-R388 PolarHBondContact OH-NH2 2.82Å; Q385-R388 WeakPolarHBondContact O-CB 3.45Å; Q385-R388 PolarHBondContact O-N 2.82Å; R388-R390 PolarHBondContact O-N 2.88Å; R388-G391 PolarHBondContact O-N 2.98Å; R388-N394 PolarHBondContact N-ND2 2.83Å
389L95.8Very high96.7Very high145 Ų14543.6 Ų43.676%0.75922%0.216SC*.Hα-helixtrans-61.2-32.2176.7-71.5172.6000112.7Q385 L386 R387 G391Q385-L389 WeakPolarHBondContact O-CG 3.42Å; Q385-L389 PolarHBondContact O-N 3.46Å; L386-L389 HydrophobicContact CD2-CD1 4.47Å; L386-L389 PolarHBondContact O-N 3.46Å; R387-L389 PolarHBondContact O-N 2.83Å; L389-G391 VanDerWaalsContact C-N 3.3Å
390R97.1Very high96.5Very high141 Ų14140.8 Ų40.853%0.53220%0.203SC..THydrogen-bonded Turntrans-82.5-3.9177-72.5179.2-95.9156.9-19113.8L386 R387 R388 E392L386-R390 WeakPolarHBondContact O-CG 3.49Å; L386-R390 PolarHBondContact O-N 3.31Å; L386-R390 VanDerWaalsContact O-N 3.15Å; L386-R390 PolarHBondContact O-NE 3.4Å; L386-R390 VanDerWaalsContact O-NE 3.1Å; R387-R390 CarbonylContact O-C 3.58Å; R387-R390 PolarHBondContact O-N 3.28Å; R387-R390 VanDerWaalsContact O-N 3.13Å; R388-R390 PolarHBondContact O-N 2.88Å; R390-E392 HydrophobicContact CB-CG 3.88Å; R390-E392 WeakPolarHBondContact CD-OE1 3.24Å; R390-E392 IonicContact CZ-OE1 3.2Å; R390-E392 IonicContact NE-OE1 2.68Å; R390-E392 IonicContact NH1-OE1 3.43Å; R390-E392 PolarHBondContact NH1-OE1 3.48Å; R390-E392 IonicContact NH1-OE2 2.83Å; R390-E392 PolarHBondContact O-N 2.83Å
391G96.7Very high96Very high71 Ų7143.7 Ų43.773%0.73221%0.214SC*.THydrogen-bonded Turntrans67.723.4-175.300000113.4R387 R388 L389R387-G391 PolarHBondContact O-N 3.25Å; R387-G391 VanDerWaalsContact O-N 3.15Å; R388-G391 PolarHBondContact O-N 2.98Å; L389-G391 VanDerWaalsContact C-N 3.3Å
392E95.8Very high95.1Very high66 Ų6650.1 Ų50.131%0.30825%0.248SC..  trans-80.9155178.4-64176.6-158.200111.4R387 R390 N394R387-E392 HydrophobicContact CB-CB 4.17Å; R387-E392 IonicContact CZ-OE2 3.36Å; R387-E392 IonicContact NE-OE2 3.68Å; R387-E392 IonicContact NH1-OE2 3.94Å; R387-E392 PolarHBondContact NH1-OE2 3.08Å; R387-E392 IonicContact NH2-OE2 2.76Å; R387-E392 PolarHBondContact NH2-OE2 2.83Å; R387-E392 PolarHBondContact O-N 3.39Å; R390-E392 HydrophobicContact CB-CG 3.88Å; R390-E392 WeakPolarHBondContact CD-OE1 3.24Å; R390-E392 IonicContact CZ-OE1 3.2Å; R390-E392 IonicContact NE-OE1 2.68Å; R390-E392 IonicContact NH1-OE1 3.43Å; R390-E392 PolarHBondContact NH1-OE1 3.48Å; R390-E392 IonicContact NH1-OE2 2.83Å; R390-E392 PolarHBondContact O-N 2.83Å; E392-N394 PolarHBondContact O-N 3.19Å
393D96.1Very high94.1Very high37 Ų3750.4 Ų50.420%0.19825%0.251CS..  trans-56.7135.1172.3178.7-75000110.9R387 H395 K431 H434R387-D393 VanDerWaalsContact CZ-O 3.31Å; R387-D393 PolarHBondContact NE-O 2.86Å; R387-D393 PolarHBondContact NH2-O 3.45Å; D393-H395 IonicContact OD1-CG 3.44Å; D393-H395 PolarHBondContact OD1-N 3.08Å; D393-H395 IonicContact OD1-ND1 3.24Å; D393-H395 IonicContact OD2-CE1 2.74Å; D393-H395 IonicContact OD2-CG 2.97Å; D393-H395 IonicContact OD2-ND1 3.79Å; D393-H395 PolarHBondContact OD2-ND1 2.8Å; D393-K431 WeakPolarHBondContact O-CE 3.45Å; D393-K431 WeakPolarHBondContact OD1-CE 3.23Å; D393-K431 IonicContact OD1-NZ 2.86Å; D393-K431 PolarHBondContact OD1-NZ 2.92Å; D393-H434 IonicContact OD1-CG 3.21Å; D393-H434 IonicContact OD2-CG 3.66Å
394N97.1Very high92.7Very high15 Ų1551.7 Ų51.78%0.0827%0.265CS..  trans-127.832.3-177-104.2-16000112.7Y384 R387 R388 E392 W396 S413Y384-N394 HydrophobicContact CD2-CB 4.45Å; Y384-N394 HydrophobicContact CE2-CB 3.91Å; Y384-N394 PolarHBondContact O-ND2 3.27Å; R387-N394 VanDerWaalsContact CB-OD1 3.26Å; R387-N394 WeakPolarHBondContact CB-OD1 3.32Å; R387-N394 VanDerWaalsContact CD-OD1 3.28Å; R387-N394 WeakPolarHBondContact CD-OD1 3.43Å; R387-N394 PolarHBondContact NE-OD1 2.94Å; R388-N394 PolarHBondContact N-ND2 2.83Å; E392-N394 PolarHBondContact O-N 3.19Å; N394-W396 PolarHBondContact O-NE1 2.91Å; N394-W396 PolarHBondContact OD1-NE1 2.76Å; N394-S413 VanDerWaalsContact O-CA 3.22Å; N394-S413 WeakPolarHBondContact O-CA 3.17Å; N394-S413 VanDerWaalsContact O-CB 3.27Å; N394-S413 WeakPolarHBondContact O-CB 3.44Å
395H98.2Very high91.5Very high30 Ų3056.4 Ų56.414%0.13928%0.283CS..  trans-79.8131.6168.3-64.397.1000110.5D393 K431 Y432 F484D393-H395 IonicContact OD1-CG 3.44Å; D393-H395 PolarHBondContact OD1-N 3.08Å; D393-H395 IonicContact OD1-ND1 3.24Å; D393-H395 IonicContact OD2-CE1 2.74Å; D393-H395 IonicContact OD2-CG 2.97Å; D393-H395 IonicContact OD2-ND1 3.79Å; D393-H395 PolarHBondContact OD2-ND1 2.8Å; H395-K431 PolarHBondContact O-NZ 2.84Å; H395-Y432 HydrophobicContact CB-CD1 4.11Å; H395-Y432 HydrophobicContact CB-CG 4.49Å; H395-Y432 VanDerWaalsContact O-CB 3.3Å; H395-Y432 WeakPolarHBondContact O-CB 3.5Å; H395-Y432 PolarHBondContact O-N 2.94Å; H395-F484 AromaticContact CD2-CE2 3.46Å; H395-F484 VanDerWaalsContact CD2-CE2 3.46Å; H395-F484 WeakPolarHBondContact CD2-CE2 3.36Å; H395-F484 AromaticContact CD2-CZ 3.19Å; H395-F484 WeakPolarHBondContact CD2-CZ 3.34Å; H395-F484 AromaticContact NE2-CE2 3.58Å; H395-F484 AromaticContact NE2-CZ 3.45Å; H395-F484 WeakPolarHBondContact NE2-CZ 3.44Å
396W98.4Very high90.2Very high0 Ų056.4 Ų56.40%029%0.29CS..EExtended strand (participates in β ladder)trans-129.9157-179-61.589.2000110.3E369 F371 F380 H383 Y384 N394 I411 T412 I418 V429 C430 K431E369-W396 HydrophobicContact CB-CZ3 4.49Å; F371-W396 HydrophobicContact CD2-CH2 4.43Å; F371-W396 HydrophobicContact CD2-CZ3 4.09Å; F371-W396 AromaticContact CE2-CH2 3.87Å; F371-W396 HydrophobicContact CE2-CH2 3.87Å; F371-W396 AromaticContact CE2-CZ3 3.94Å; F371-W396 HydrophobicContact CE2-CZ3 3.94Å; F380-W396 HydrophobicContact CD2-CH2 4.46Å; F380-W396 HydrophobicContact CD2-CZ3 4.42Å; F380-W396 AromaticContact CE2-CD2 3.66Å; F380-W396 HydrophobicContact CE2-CD2 3.66Å; F380-W396 AromaticContact CE2-CE2 3.69Å; F380-W396 AromaticContact CE2-CE3 3.78Å; F380-W396 HydrophobicContact CE2-CE3 3.78Å; F380-W396 HydrophobicContact CE2-CG 4.22Å; F380-W396 HydrophobicContact CE2-CH2 4.06Å; F380-W396 AromaticContact CE2-CZ2 3.9Å; F380-W396 HydrophobicContact CE2-CZ2 3.9Å; F380-W396 AromaticContact CE2-CZ3 3.99Å; F380-W396 HydrophobicContact CE2-CZ3 3.99Å; F380-W396 HydrophobicContact CZ-CD2 4.21Å; F380-W396 HydrophobicContact CZ-CG 4.31Å; H383-W396 AromaticContact CD2-CH2 3.86Å; Y384-W396 AromaticContact CD2-CD1 3.87Å; Y384-W396 AromaticContact CD2-NE1 3.43Å; Y384-W396 AromaticContact CE2-CD1 3.99Å; Y384-W396 AromaticContact CE2-NE1 3.87Å; N394-W396 PolarHBondContact O-NE1 2.91Å; N394-W396 PolarHBondContact OD1-NE1 2.76Å; W396-I411 WeakPolarHBondContact O-CA 3.46Å; W396-T412 PolarHBondContact N-O 3.28Å; W396-T412 PolarHBondContact O-N 3.07Å; W396-I418 HydrophobicContact CB-CD1 3.88Å; W396-I418 HydrophobicContact CG-CD1 4.08Å; W396-V429 HydrophobicContact CB-CG2 3.62Å; W396-V429 HydrophobicContact CD2-CG2 4.12Å; W396-V429 HydrophobicContact CE3-CG2 3.84Å; W396-V429 HydrophobicContact CG-CG2 4.04Å; W396-C430 CarbonylContact C-O 3.58Å; W396-C430 WeakPolarHBondContact CA-O 3.49Å; W396-K431 HydrophobicContact CD2-CD 4.34Å; W396-K431 VanDerWaalsContact CE3-CA 3.46Å; W396-K431 HydrophobicContact CE3-CB 4.11Å; W396-K431 HydrophobicContact CE3-CD 4.41Å; W396-K431 VanDerWaalsContact CE3-N 3.31Å; W396-K431 HydrophobicContact CH2-CB 4.26Å; W396-K431 HydrophobicContact CH2-CD 4.02Å; W396-K431 HydrophobicContact CZ2-CD 3.97Å; W396-K431 HydrophobicContact CZ3-CB 3.81Å; W396-K431 HydrophobicContact CZ3-CD 4.25Å
397I98Very high89.3Confident18 Ų1855.9 Ų55.99%0.09229%0.288CS..EExtended strand (participates in β ladder)trans-123.1117173.6-174.6170.3000109.2K399 T409 H410 I411 C430 Y432I397-K399 HydrophobicContact CG1-CG 4.14Å; I397-T409 HydrophobicContact CD1-CG2 3.57Å; I397-T409 HydrophobicContact CG1-CG2 3.53Å; I397-H410 CarbonylContact C-O 3.49Å; I397-H410 VanDerWaalsContact CA-O 3.27Å; I397-H410 WeakPolarHBondContact CA-O 3.39Å; I397-I411 HydrophobicContact CB-CG1 4.08Å; I397-I411 HydrophobicContact CD1-CD1 4.16Å; I397-I411 HydrophobicContact CD1-CG1 3.73Å; I397-I411 HydrophobicContact CG1-CG1 3.72Å; I397-C430 HydrophobicContact CG2-CB 3.89Å; I397-C430 WeakPolarHBondContact CG2-O 3.5Å; I397-C430 PolarHBondContact N-O 3.41Å; I397-C430 PolarHBondContact O-N 2.97Å; I397-Y432 HydrophobicContact CB-CD2 4.06Å; I397-Y432 HydrophobicContact CD1-CD2 4.45Å; I397-Y432 HydrophobicContact CG2-CD2 4.23Å
398C97.1Very high88.9Confident0 Ų055.7 Ų55.70%029%0.289CS..EExtended strand (participates in β ladder)trans-88.6127.3175.3-57.60000109.1T409 H410 Q421 K427 V428C398-T409 VanDerWaalsContact O-CA 3.31Å; C398-T409 WeakPolarHBondContact O-CA 3.26Å; C398-T409 WeakPolarHBondContact O-CG2 3.4Å; C398-H410 HydrophobicContact CB-CB 4.26Å; C398-H410 PolarHBondContact N-O 3.39Å; C398-H410 PolarHBondContact O-N 3.2Å; C398-Q421 HydrophobicContact CB-CG 4.3Å; C398-K427 HydrophobicContact CB-CD 4.21Å; C398-V428 CarbonylContact C-O 3.58Å; C398-V428 VanDerWaalsContact CA-O 3.28Å; C398-V428 WeakPolarHBondContact CA-O 3.46Å
399K94.8Very high88.7Confident23 Ų2350.2 Ų50.210%0.127%0.271CS..EExtended strand (participates in β ladder)trans-130.1135.3-176.6-58.4176.6-176.1176.70110.3K348 I397 T409 K427 V428K348-K399 HydrophobicContact CD-CB 3.79Å; K348-K399 HydrophobicContact CD-CD 3.99Å; I397-K399 HydrophobicContact CG1-CG 4.14Å; K399-T409 HydrophobicContact CG-CG2 4.04Å; K399-K427 CarbonylContact O-C 3.57Å; K399-K427 WeakPolarHBondContact O-CA 3.39Å; K399-K427 WeakPolarHBondContact O-CB 3.49Å; K399-V428 HydrophobicContact CB-CG2 4.05Å; K399-V428 PolarHBondContact N-O 2.84Å; K399-V428 PolarHBondContact O-N 2.87Å
400P91.8Very high88.6Confident2 Ų243.8 Ų43.81%0.01324%0.237CC..EExtended strand (participates in β ladder)trans-61.8150.9172.9-19.832000111.1K348 N402 L403 D408 P426 K427K348-P400 WeakPolarHBondContact CD-O 3.36Å; K348-P400 WeakPolarHBondContact CE-O 3.34Å; P400-N402 VanDerWaalsContact C-N 3.32Å; P400-N402 PolarHBondContact O-N 3.17Å; P400-L403 HydrophobicContact CB-CB 3.8Å; P400-L403 HydrophobicContact CB-CD1 3.92Å; P400-L403 HydrophobicContact CB-CG 3.83Å; P400-L403 HydrophobicContact CG-CB 4.02Å; P400-L403 HydrophobicContact CG-CD1 3.86Å; P400-L403 HydrophobicContact CG-CG 4.22Å; P400-D408 WeakPolarHBondContact CD-O 3.48Å; P400-D408 HydrophobicContact CG-CB 3.88Å; P400-D408 WeakPolarHBondContact CG-O 3.48Å; P400-P426 WeakPolarHBondContact CA-O 2.95Å; P400-K427 HydrophobicContact CG-CG 4.44Å
401W86.4Confident88.6Confident61 Ų6137.6 Ų37.623%0.23121%0.214CC..SBendtrans-59.5-41.6-176.7-64.7-12.2000113.3V347 K348 D349 N372 Q374 P426 K427V347-W401 HydrophobicContact CG1-CB 3.92Å; V347-W401 WeakPolarHBondContact CG1-O 3.45Å; K348-W401 PolarHBondContact N-O 2.89Å; K348-W401 VanDerWaalsContact N-O 3.13Å; D349-W401 HydrophobicContact CB-CD2 4.43Å; D349-W401 HydrophobicContact CB-CG 4.22Å; N372-W401 VanDerWaalsContact OD1-CZ2 3.31Å; N372-W401 WeakPolarHBondContact OD1-CZ2 3.02Å; Q374-W401 HydrophobicContact CB-CH2 4.14Å; Q374-W401 HydrophobicContact CB-CZ2 3.8Å; Q374-W401 HydrophobicContact CG-CH2 3.96Å; Q374-W401 HydrophobicContact CG-CZ2 3.62Å; W401-P426 HydrophobicContact CD2-CB 3.48Å; W401-P426 VanDerWaalsContact CD2-CB 3.48Å; W401-P426 VanDerWaalsContact CE2-CB 3.43Å; W401-P426 HydrophobicContact CE3-CB 3.58Å; W401-P426 HydrophobicContact CE3-CG 4.35Å; W401-P426 HydrophobicContact CG-CB 4.19Å; W401-P426 HydrophobicContact CH2-CB 3.62Å; W401-P426 HydrophobicContact CH2-CG 4.35Å; W401-P426 HydrophobicContact CZ2-CB 3.52Å; W401-P426 HydrophobicContact CZ3-CB 3.65Å; W401-P426 HydrophobicContact CZ3-CG 4.19Å; W401-P426 PolarHBondContact N-O 3.41Å; W401-P426 VanDerWaalsContact N-O 3.17Å; W401-K427 VanDerWaalsContact CD1-C 3.5Å; W401-K427 VanDerWaalsContact NE1-C 3.28Å; W401-K427 PolarHBondContact NE1-O 2.85Å
402N80Confident88.6Confident134 Ų13435 Ų3572%0.71718%0.184SC*.SBendtrans-131.26.7-167.564-17.2000114.6P400P400-N402 VanDerWaalsContact C-N 3.32Å; P400-N402 PolarHBondContact O-N 3.17Å
403L74.3Confident88.6Confident46 Ų4634.1 Ų34.124%0.24119%0.185CC..  trans-86.9150172.2-61-178.3000111.2A164 P400 D408A164-L403 HydrophobicContact CB-CD2 4.5Å; P400-L403 HydrophobicContact CB-CB 3.8Å; P400-L403 HydrophobicContact CB-CD1 3.92Å; P400-L403 HydrophobicContact CB-CG 3.83Å; P400-L403 HydrophobicContact CG-CB 4.02Å; P400-L403 HydrophobicContact CG-CD1 3.86Å; P400-L403 HydrophobicContact CG-CG 4.22Å; L403-D408 HydrophobicContact CD1-CB 4.4Å
404A68.2Low88.7Confident47 Ų4733.6 Ų33.639%0.38818%0.182SC..  trans-117.3179.1-179.700000111.5G406 L407A404-G406 PolarHBondContact O-N 3.21Å; A404-L407 WeakPolarHBondContact O-CG 3.35Å; A404-L407 PolarHBondContact O-N 2.86Å
405R70.7Confident88.7Confident105 Ų10533.4 Ų33.440%0.39618%0.182SC..THydrogen-bonded Turntrans64.317.5174.9-53.9-178.6-71.3152.66.7115.2E165 L407 Y496E165-R405 IonicContact OE1-CZ 3.62Å; E165-R405 IonicContact OE1-NH1 3.12Å; E165-R405 PolarHBondContact OE1-NH1 2.88Å; E165-R405 IonicContact OE1-NH2 3.59Å; E165-R405 PolarHBondContact OE1-NH2 3.49Å; R405-L407 PolarHBondContact O-N 3.08Å; R405-Y496 HydrophobicContact CB-CD2 4.39Å; R405-Y496 HydrophobicContact CG-CD2 3.93Å; R405-Y496 HydrophobicContact CG-CE2 3.9Å
406G69.3Low88.7Confident28 Ų2833.5 Ų33.529%0.28918%0.183SC..THydrogen-bonded Turntrans75.211.2-179.100000114.1A404 T409A404-G406 PolarHBondContact O-N 3.21Å; G406-T409 VanDerWaalsContact O-CB 3.31Å; G406-T409 WeakPolarHBondContact O-CB 3.43Å; G406-T409 PolarHBondContact O-N 2.97Å; G406-T409 PolarHBondContact O-OG1 2.69Å
407L78.3Confident88.6Confident39 Ų3934.5 Ų34.520%0.20419%0.187CC..THydrogen-bonded Turntrans-60.8138.2176-67174.8000110.8E165 A404 R405 T409E165-L407 HydrophobicContact CG-CD1 3.88Å; E165-L407 HydrophobicContact CG-CD2 3.69Å; E165-L407 HydrophobicContact CG-CG 4.47Å; A404-L407 WeakPolarHBondContact O-CG 3.35Å; A404-L407 PolarHBondContact O-N 2.86Å; R405-L407 PolarHBondContact O-N 3.08Å; L407-T409 PolarHBondContact O-N 3.04Å; L407-T409 VanDerWaalsContact O-N 3.13Å; L407-T409 PolarHBondContact O-OG1 3.42Å
408D86.4Confident88.6Confident20 Ų2033.7 Ų33.711%0.10718%0.183CC..THydrogen-bonded Turntrans51.837.9176.6-169.323.4000112.7P169 P400 L403 H410 T425 K427P169-D408 WeakPolarHBondContact CD-OD2 3.4Å; P169-D408 WeakPolarHBondContact CG-OD2 3.48Å; P400-D408 WeakPolarHBondContact CD-O 3.48Å; P400-D408 HydrophobicContact CG-CB 3.88Å; P400-D408 WeakPolarHBondContact CG-O 3.48Å; L403-D408 HydrophobicContact CD1-CB 4.4Å; D408-H410 PolarHBondContact O-CD2 2.86Å; D408-H410 VanDerWaalsContact O-CD2 3.28Å; D408-H410 PolarHBondContact O-NE2 2.96Å; D408-H410 IonicContact OD1-CD2 3.09Å; D408-H410 IonicContact OD1-CE1 3.8Å; D408-H410 IonicContact OD1-NE2 2.63Å; D408-H410 PolarHBondContact OD1-NE2 3.43Å; D408-T425 PolarHBondContact OD2-OG1 3.28Å; D408-K427 VanDerWaalsContact O-CE 3.31Å; D408-K427 WeakPolarHBondContact O-CE 3.41Å; D408-K427 IonicContact OD1-NZ 3.36Å; D408-K427 PolarHBondContact OD1-NZ 3.45Å; D408-K427 WeakPolarHBondContact OD2-CE 2.99Å; D408-K427 IonicContact OD2-NZ 3.01Å; D408-K427 PolarHBondContact OD2-NZ 2.63Å
409T91.9Very high88.6Confident27 Ų2733.8 Ų33.817%0.16618%0.183CC..  trans-106.3127.1-180-60.30000110.9I397 C398 K399 G406 L407 F491I397-T409 HydrophobicContact CD1-CG2 3.57Å; I397-T409 HydrophobicContact CG1-CG2 3.53Å; C398-T409 VanDerWaalsContact O-CA 3.31Å; C398-T409 WeakPolarHBondContact O-CA 3.26Å; C398-T409 WeakPolarHBondContact O-CG2 3.4Å; K399-T409 HydrophobicContact CG-CG2 4.04Å; G406-T409 VanDerWaalsContact O-CB 3.31Å; G406-T409 WeakPolarHBondContact O-CB 3.43Å; G406-T409 PolarHBondContact O-N 2.97Å; G406-T409 PolarHBondContact O-OG1 2.69Å; L407-T409 PolarHBondContact O-N 3.04Å; L407-T409 VanDerWaalsContact O-N 3.13Å; L407-T409 PolarHBondContact O-OG1 3.42Å; T409-F491 HydrophobicContact CG2-CE1 3.7Å; T409-F491 HydrophobicContact CG2-CZ 3.72Å
410H93.8Very high88.6Confident10 Ų1032.8 Ų32.85%0.04618%0.179CC..EExtended strand (participates in β ladder)trans-123.9122.2-168.5-54-78000110.8I397 C398 D408 Y417 Q421I397-H410 CarbonylContact C-O 3.49Å; I397-H410 VanDerWaalsContact CA-O 3.27Å; I397-H410 WeakPolarHBondContact CA-O 3.39Å; C398-H410 HydrophobicContact CB-CB 4.26Å; C398-H410 PolarHBondContact N-O 3.39Å; C398-H410 PolarHBondContact O-N 3.2Å; D408-H410 PolarHBondContact O-CD2 2.86Å; D408-H410 VanDerWaalsContact O-CD2 3.28Å; D408-H410 PolarHBondContact O-NE2 2.96Å; D408-H410 IonicContact OD1-CD2 3.09Å; D408-H410 IonicContact OD1-CE1 3.8Å; D408-H410 IonicContact OD1-NE2 2.63Å; D408-H410 PolarHBondContact OD1-NE2 3.43Å; H410-Y417 HydrophobicContact CB-CE2 4.2Å; H410-Y417 AromaticContact ND1-CZ 3.87Å; H410-Y417 PolarHBondContact ND1-OH 2.71Å; H410-Q421 PolarHBondContact CD2-OE1 3.37Å; H410-Q421 PolarHBondContact NE2-OE1 3.36Å; H410-Q421 VanDerWaalsContact NE2-OE1 3.1Å
411I97.1Very high88.7Confident11 Ų1132.7 Ų32.76%0.05618%0.178CC..EExtended strand (participates in β ladder)trans-104.5124.2174.8-54.8162.6000108.3W396 I397 Y432 F484 H490 F491W396-I411 WeakPolarHBondContact O-CA 3.46Å; I397-I411 HydrophobicContact CB-CG1 4.08Å; I397-I411 HydrophobicContact CD1-CD1 4.16Å; I397-I411 HydrophobicContact CD1-CG1 3.73Å; I397-I411 HydrophobicContact CG1-CG1 3.72Å; I411-Y432 HydrophobicContact CD1-CD2 4.35Å; I411-Y432 HydrophobicContact CD1-CE2 3.66Å; I411-Y432 HydrophobicContact CG1-CD2 4.29Å; I411-Y432 HydrophobicContact CG1-CE2 4.1Å; I411-Y432 HydrophobicContact CG2-CD1 3.97Å; I411-Y432 HydrophobicContact CG2-CD2 3.94Å; I411-Y432 HydrophobicContact CG2-CE1 4.09Å; I411-Y432 HydrophobicContact CG2-CE2 4.07Å; I411-Y432 HydrophobicContact CG2-CG 3.89Å; I411-F484 HydrophobicContact CB-CB 4.03Å; I411-F484 HydrophobicContact CB-CD1 3.99Å; I411-F484 HydrophobicContact CB-CG 4.21Å; I411-F484 HydrophobicContact CG2-CB 4.25Å; I411-F484 HydrophobicContact CG2-CD1 3.31Å; I411-F484 HydrophobicContact CG2-CE1 3.8Å; I411-F484 HydrophobicContact CG2-CG 3.85Å; I411-F484 VanDerWaalsContact O-CB 3.31Å; I411-F484 WeakPolarHBondContact O-CB 3.35Å; I411-H490 HydrophobicContact CD1-CB 3.59Å; I411-F491 HydrophobicContact CD1-CE2 3.99Å; I411-F491 HydrophobicContact CD1-CZ 4.15Å
412T97Very high88.9Confident15 Ų1530.8 Ų30.89%0.09217%0.171CC..EExtended strand (participates in β ladder)trans-161.8157.6-179-169.30000111.9W396 N414 Y417 I418W396-T412 PolarHBondContact N-O 3.28Å; W396-T412 PolarHBondContact O-N 3.07Å; T412-N414 WeakPolarHBondContact OG1-CB 3.45Å; T412-N414 PolarHBondContact OG1-N 3.44Å; T412-Y417 HydrophobicContact CG2-CD1 3.57Å; T412-Y417 HydrophobicContact CG2-CE1 4.13Å; T412-Y417 HydrophobicContact CG2-CG 3.95Å; T412-Y417 WeakPolarHBondContact OG1-CD1 3.42Å; T412-I418 HydrophobicContact CG2-CD1 4.01Å; T412-I418 HydrophobicContact CG2-CG1 3.51Å
413S96.9Very high89.4Confident48 Ų4826.9 Ų26.934%0.33615%0.148SC..SBendtrans-104.71.3164.1540000113.1Y384 N394Y384-S413 PolarHBondContact OH-O 2.65Å; N394-S413 VanDerWaalsContact O-CA 3.22Å; N394-S413 WeakPolarHBondContact O-CA 3.17Å; N394-S413 VanDerWaalsContact O-CB 3.27Å; N394-S413 WeakPolarHBondContact O-CB 3.44Å
414N97.3Very high90Very high26 Ų2625.4 Ų25.414%0.13914%0.142CC..  trans-80.7117.4179.7-175.5-20.8000110.9E148 T412 D416 Y417 I418E148-N414 PolarHBondContact O-ND2 3.29Å; T412-N414 WeakPolarHBondContact OG1-CB 3.45Å; T412-N414 PolarHBondContact OG1-N 3.44Å; N414-D416 WeakPolarHBondContact OD1-CB 3.46Å; N414-D416 PolarHBondContact OD1-N 3.13Å; N414-Y417 PolarHBondContact O-N 3.03Å; N414-Y417 PolarHBondContact OD1-N 3.1Å; N414-I418 VanDerWaalsContact O-CG1 3.32Å; N414-I418 WeakPolarHBondContact O-CG1 3.21Å; N414-I418 PolarHBondContact O-N 2.89Å
415L97.8Very high90.9Very high12 Ų1224.3 Ų24.36%0.06313%0.131CC..Hα-helixtrans-65.5-39.5-179.6-176.859.3000112.4F380 I381 Y384 Y417 I418 I419F380-L415 HydrophobicContact CE1-CD1 3.92Å; I381-L415 HydrophobicContact CG1-CD1 4.3Å; I381-L415 HydrophobicContact CG2-CD2 4.38Å; Y384-L415 HydrophobicContact CD1-CB 4.27Å; Y384-L415 HydrophobicContact CD1-CD1 3.89Å; Y384-L415 HydrophobicContact CD1-CD2 3.82Å; Y384-L415 HydrophobicContact CD1-CG 4.21Å; Y384-L415 HydrophobicContact CD2-CD1 4.18Å; Y384-L415 HydrophobicContact CE1-CB 3.75Å; Y384-L415 HydrophobicContact CE1-CD1 4.23Å; Y384-L415 HydrophobicContact CE1-CD2 3.93Å; Y384-L415 HydrophobicContact CE1-CG 4.18Å; Y384-L415 HydrophobicContact CE2-CB 4.39Å; Y384-L415 HydrophobicContact CE2-CD1 4.49Å; Y384-L415 HydrophobicContact CG-CD1 3.91Å; L415-Y417 VanDerWaalsContact C-N 3.3Å; L415-Y417 PolarHBondContact O-N 3.01Å; L415-I418 PolarHBondContact O-N 2.78Å; L415-I419 HydrophobicContact CD1-CD1 4.07Å; L415-I419 HydrophobicContact CD1-CG1 4.18Å; L415-I419 HydrophobicContact CD2-CD1 4.39Å; L415-I419 HydrophobicContact CG-CD1 3.8Å; L415-I419 HydrophobicContact CG-CG1 4.34Å; L415-I419 WeakPolarHBondContact O-CG1 3.25Å; L415-I419 PolarHBondContact O-N 2.93Å
416D97.2Very high91.8Very high32 Ų3222 Ų2217%0.17113%0.129CC..Hα-helixtrans-62-44.8-178.8-62-7.6000109.3W151 K152 P238 N414 I418 I419 R420W151-D416 HydrophobicContact CB-CB 4Å; K152-D416 WeakPolarHBondContact CE-OD2 3.48Å; P238-D416 HydrophobicContact CB-CB 4.01Å; P238-D416 HydrophobicContact CG-CB 4.21Å; N414-D416 WeakPolarHBondContact OD1-CB 3.46Å; N414-D416 PolarHBondContact OD1-N 3.13Å; D416-I418 PolarHBondContact O-N 3.22Å; D416-I419 PolarHBondContact O-N 3.48Å; D416-R420 WeakPolarHBondContact O-CB 3.31Å; D416-R420 WeakPolarHBondContact O-CG 3.27Å; D416-R420 PolarHBondContact O-N 2.99Å
417Y97.1Very high93Very high21 Ų2120.6 Ų20.68%0.08212%0.115CC..Hα-helixtrans-56.3-51.6173.7-173.5178.4000111.6V108 W151 H410 T412 N414 L415 I419 R420 Q421V108-Y417 WeakPolarHBondContact CG1-OH 3.49Å; W151-Y417 AromaticContact CD1-CG 3.99Å; W151-Y417 HydrophobicContact CD2-CD1 4.48Å; W151-Y417 AromaticContact CD2-CD2 3.57Å; W151-Y417 HydrophobicContact CD2-CD2 3.57Å; W151-Y417 HydrophobicContact CD2-CE2 4.35Å; W151-Y417 AromaticContact CD2-CG 3.68Å; W151-Y417 HydrophobicContact CD2-CG 3.68Å; W151-Y417 AromaticContact CE2-CD1 3.63Å; W151-Y417 AromaticContact CE2-CD2 3.26Å; W151-Y417 AromaticContact CE2-CE2 3.72Å; W151-Y417 AromaticContact CE2-CG 3.24Å; W151-Y417 AromaticContact CE3-CD2 3.7Å; W151-Y417 HydrophobicContact CE3-CD2 3.7Å; W151-Y417 HydrophobicContact CE3-CE2 4.33Å; W151-Y417 HydrophobicContact CE3-CG 4.28Å; W151-Y417 HydrophobicContact CG-CD2 4.47Å; W151-Y417 HydrophobicContact CG-CG 4.16Å; W151-Y417 AromaticContact CH2-CD2 3.29Å; W151-Y417 HydrophobicContact CH2-CD2 3.29Å; W151-Y417 HydrophobicContact CH2-CE1 4.49Å; W151-Y417 AromaticContact CH2-CE2 3.06Å; W151-Y417 HydrophobicContact CH2-CE2 3.06Å; W151-Y417 HydrophobicContact CH2-CG 4.15Å; W151-Y417 AromaticContact CH2-CZ 3.72Å; W151-Y417 AromaticContact CZ2-CD1 3.77Å; W151-Y417 HydrophobicContact CZ2-CD1 3.77Å; W151-Y417 AromaticContact CZ2-CD2 3.14Å; W151-Y417 HydrophobicContact CZ2-CD2 3.14Å; W151-Y417 AromaticContact CZ2-CE1 3.67Å; W151-Y417 HydrophobicContact CZ2-CE1 3.67Å; W151-Y417 AromaticContact CZ2-CE2 3.05Å; W151-Y417 HydrophobicContact CZ2-CE2 3.05Å; W151-Y417 AromaticContact CZ2-CG 3.54Å; W151-Y417 HydrophobicContact CZ2-CG 3.54Å; W151-Y417 AromaticContact CZ2-CZ 3.31Å; W151-Y417 AromaticContact CZ3-CD2 3.55Å; W151-Y417 HydrophobicContact CZ3-CD2 3.55Å; W151-Y417 AromaticContact CZ3-CE2 3.74Å; W151-Y417 HydrophobicContact CZ3-CE2 3.74Å; W151-Y417 HydrophobicContact CZ3-CG 4.48Å; W151-Y417 AromaticContact NE1-CD1 3.53Å; W151-Y417 AromaticContact NE1-CD2 3.97Å; W151-Y417 AromaticContact NE1-CG 3.44Å; H410-Y417 HydrophobicContact CB-CE2 4.2Å; H410-Y417 AromaticContact ND1-CZ 3.87Å; H410-Y417 PolarHBondContact ND1-OH 2.71Å; T412-Y417 HydrophobicContact CG2-CD1 3.57Å; T412-Y417 HydrophobicContact CG2-CE1 4.13Å; T412-Y417 HydrophobicContact CG2-CG 3.95Å; T412-Y417 WeakPolarHBondContact OG1-CD1 3.42Å; N414-Y417 PolarHBondContact O-N 3.03Å; N414-Y417 PolarHBondContact OD1-N 3.1Å; L415-Y417 VanDerWaalsContact C-N 3.3Å; L415-Y417 PolarHBondContact O-N 3.01Å; Y417-I419 VanDerWaalsContact C-N 3.33Å; Y417-I419 PolarHBondContact O-N 2.87Å; Y417-R420 PolarHBondContact O-N 3.42Å; Y417-Q421 HydrophobicContact CD2-CG 4.17Å; Y417-Q421 HydrophobicContact CE2-CG 4.16Å; Y417-Q421 WeakPolarHBondContact O-CG 3.38Å; Y417-Q421 PolarHBondContact O-N 3.23Å; Y417-Q421 VanDerWaalsContact O-N 3.13Å
418I97.8Very high93.9Very high0 Ų018.8 Ų18.80%011%0.105CC..Hα-helixtrans-60.5-42.2-178.4-64.1165.4000111.6L373 F380 W396 T412 N414 L415 D416 Q421 V429L373-I418 HydrophobicContact CD1-CG2 4.26Å; L373-I418 HydrophobicContact CD2-CG2 4.19Å; F380-I418 HydrophobicContact CD1-CG2 4.31Å; F380-I418 HydrophobicContact CE1-CB 4.28Å; F380-I418 HydrophobicContact CE1-CD1 4.46Å; F380-I418 HydrophobicContact CE1-CG2 3.41Å; F380-I418 VanDerWaalsContact CE1-CG2 3.41Å; F380-I418 HydrophobicContact CZ-CD1 3.96Å; F380-I418 HydrophobicContact CZ-CG2 3.76Å; W396-I418 HydrophobicContact CB-CD1 3.88Å; W396-I418 HydrophobicContact CG-CD1 4.08Å; T412-I418 HydrophobicContact CG2-CD1 4.01Å; T412-I418 HydrophobicContact CG2-CG1 3.51Å; N414-I418 VanDerWaalsContact O-CG1 3.32Å; N414-I418 WeakPolarHBondContact O-CG1 3.21Å; N414-I418 PolarHBondContact O-N 2.89Å; L415-I418 PolarHBondContact O-N 2.78Å; D416-I418 PolarHBondContact O-N 3.22Å; I418-Q421 WeakPolarHBondContact O-CB 3.45Å; I418-Q421 PolarHBondContact O-N 3.22Å; I418-V429 HydrophobicContact CG2-CB 4.38Å; I418-V429 HydrophobicContact CG2-CG2 3.95Å
419I96.9Very high94.4Very high3 Ų317.8 Ų17.82%0.01510%0.1CC..Hα-helixtrans-62.8-45.8178.6-69.4170.9000110.4L237 P238 L377 I381 L415 D416 Y417 Q421 R422L237-I419 HydrophobicContact CB-CD1 3.64Å; L237-I419 HydrophobicContact CD1-CD1 3.75Å; L237-I419 HydrophobicContact CG-CD1 4.37Å; P238-I419 HydrophobicContact CG-CG2 4.34Å; L377-I419 HydrophobicContact CD1-CG1 4.48Å; I381-I419 HydrophobicContact CD1-CD1 4.07Å; I381-I419 HydrophobicContact CD1-CG1 4.34Å; I381-I419 HydrophobicContact CG1-CD1 4.18Å; I381-I419 HydrophobicContact CG1-CG1 4.36Å; L415-I419 HydrophobicContact CD1-CD1 4.07Å; L415-I419 HydrophobicContact CD1-CG1 4.18Å; L415-I419 HydrophobicContact CD2-CD1 4.39Å; L415-I419 HydrophobicContact CG-CD1 3.8Å; L415-I419 HydrophobicContact CG-CG1 4.34Å; L415-I419 WeakPolarHBondContact O-CG1 3.25Å; L415-I419 PolarHBondContact O-N 2.93Å; D416-I419 PolarHBondContact O-N 3.48Å; Y417-I419 VanDerWaalsContact C-N 3.33Å; Y417-I419 PolarHBondContact O-N 2.87Å; I419-Q421 PolarHBondContact O-N 3.03Å; I419-R422 WeakPolarHBondContact O-CB 3.29Å; I419-R422 PolarHBondContact O-N 2.94Å
420R95Very high94.6Very high2 Ų217 Ų171%0.00810%0.096CC..Hα-helixtrans-63.2-25.1-179.6-66.2-70-61.8179.9-0.5112.5W151 N154 W171 P238 D416 Y417 R422 E423W151-R420 HydrophobicContact CB-CG 4.46Å; W151-R420 HydrophobicContact CE3-CB 3.93Å; W151-R420 HydrophobicContact CE3-CG 4.38Å; W151-R420 HydrophobicContact CZ3-CB 4.48Å; N154-R420 VanDerWaalsContact O-CZ 3.32Å; N154-R420 PolarHBondContact O-NH2 2.9Å; W171-R420 HydrophobicContact CH2-CB 4.18Å; W171-R420 WeakPolarHBondContact CH2-O 3.32Å; W171-R420 HydrophobicContact CZ3-CB 4.45Å; P238-R420 HydrophobicContact CG-CG 4.33Å; D416-R420 WeakPolarHBondContact O-CB 3.31Å; D416-R420 WeakPolarHBondContact O-CG 3.27Å; D416-R420 PolarHBondContact O-N 2.99Å; Y417-R420 PolarHBondContact O-N 3.42Å; R420-R422 PolarHBondContact O-N 3.17Å; R420-E423 IonicContact CZ-OE1 3.93Å; R420-E423 IonicContact CZ-OE2 2.81Å; R420-E423 IonicContact NE-OE1 2.74Å; R420-E423 PolarHBondContact NE-OE1 2.97Å; R420-E423 IonicContact NE-OE2 3.83Å; R420-E423 PolarHBondContact NE-OE2 3.25Å; R420-E423 IonicContact NH1-OE1 3.93Å; R420-E423 PolarHBondContact NH1-OE1 2.91Å; R420-E423 IonicContact NH1-OE2 3.53Å; R420-E423 PolarHBondContact NH1-OE2 2.76Å; R420-E423 IonicContact NH2-OE1 3.78Å; R420-E423 IonicContact NH2-OE2 2.77Å; R420-E423 PolarHBondContact NH2-OE2 3.4Å; R420-E423 WeakPolarHBondContact O-CB 3.49Å; R420-E423 PolarHBondContact O-N 2.8Å
421Q93.9Very high94.8Very high0 Ų017.5 Ų17.50%010%0.098CC..G310 helixtrans-57.2-22.5175.3-69.5-47.9-66.300114.3L373 C398 H410 Y417 I418 I419 E423 S424 K427L373-Q421 HydrophobicContact CD1-CB 4.28Å; C398-Q421 HydrophobicContact CB-CG 4.3Å; H410-Q421 PolarHBondContact CD2-OE1 3.37Å; H410-Q421 PolarHBondContact NE2-OE1 3.36Å; H410-Q421 VanDerWaalsContact NE2-OE1 3.1Å; Y417-Q421 HydrophobicContact CD2-CG 4.17Å; Y417-Q421 HydrophobicContact CE2-CG 4.16Å; Y417-Q421 WeakPolarHBondContact O-CG 3.38Å; Y417-Q421 PolarHBondContact O-N 3.23Å; Y417-Q421 VanDerWaalsContact O-N 3.13Å; I418-Q421 WeakPolarHBondContact O-CB 3.45Å; I418-Q421 PolarHBondContact O-N 3.22Å; I419-Q421 PolarHBondContact O-N 3.03Å; Q421-E423 PolarHBondContact O-N 2.94Å; Q421-S424 PolarHBondContact O-N 3.16Å; Q421-S424 PolarHBondContact O-OG 2.83Å; Q421-K427 HydrophobicContact CB-CD 3.94Å; Q421-K427 HydrophobicContact CG-CD 4.48Å
422R90.9Very high94.8Very high21 Ų2117.2 Ų17.28%0.07910%0.096CC..G310 helixtrans-60.8-28173.4-75-158.4165.6-130.9-9115.1L373 Q374 L377 I419 R420 S424L373-R422 VanDerWaalsContact C-NE 3.31Å; L373-R422 HydrophobicContact CB-CG 3.99Å; L373-R422 WeakPolarHBondContact O-CD 3.22Å; L373-R422 WeakPolarHBondContact O-CG 3.34Å; L373-R422 PolarHBondContact O-NE 3.47Å; L373-R422 PolarHBondContact O-NH1 3.18Å; L373-R422 PolarHBondContact O-NH2 3.02Å; Q374-R422 VanDerWaalsContact C-NH1 3.35Å; Q374-R422 VanDerWaalsContact CA-NH1 3.27Å; Q374-R422 PolarHBondContact NE2-O 3.14Å; Q374-R422 PolarHBondContact O-NH1 3.19Å; Q374-R422 PolarHBondContact O-NH2 2.78Å; L377-R422 VanDerWaalsContact CB-CZ 3.43Å; L377-R422 VanDerWaalsContact CD1-NE 3.33Å; L377-R422 VanDerWaalsContact CD2-NE 3.33Å; I419-R422 WeakPolarHBondContact O-CB 3.29Å; I419-R422 PolarHBondContact O-N 2.94Å; R420-R422 PolarHBondContact O-N 3.17Å; R422-S424 PolarHBondContact O-N 2.96Å
423E90.1Very high94.8Very high51 Ų5117.2 Ų17.224%0.23810%0.095CC..G310 helixtrans-79.5-3.6-175.2-59.1175.5-169.800112.4T156 R420 Q421T156-E423 HydrophobicContact CG2-CB 4Å; T156-E423 WeakPolarHBondContact CG2-O 3.33Å; R420-E423 IonicContact CZ-OE1 3.93Å; R420-E423 IonicContact CZ-OE2 2.81Å; R420-E423 IonicContact NE-OE1 2.74Å; R420-E423 PolarHBondContact NE-OE1 2.97Å; R420-E423 IonicContact NE-OE2 3.83Å; R420-E423 PolarHBondContact NE-OE2 3.25Å; R420-E423 IonicContact NH1-OE1 3.93Å; R420-E423 PolarHBondContact NH1-OE1 2.91Å; R420-E423 IonicContact NH1-OE2 3.53Å; R420-E423 PolarHBondContact NH1-OE2 2.76Å; R420-E423 IonicContact NH2-OE1 3.78Å; R420-E423 IonicContact NH2-OE2 2.77Å; R420-E423 PolarHBondContact NH2-OE2 3.4Å; R420-E423 WeakPolarHBondContact O-CB 3.49Å; R420-E423 PolarHBondContact O-N 2.8Å; Q421-E423 PolarHBondContact O-N 2.94Å
424S86.6Confident94.8Very high16 Ų1618.8 Ų18.811%0.11210%0.097CC..SBendtrans-103.6-132.8178.371.90000110.5Q158 Q421 R422 K427Q158-S424 VanDerWaalsContact NE2-C 3.31Å; Q421-S424 PolarHBondContact O-N 3.16Å; Q421-S424 PolarHBondContact O-OG 2.83Å; R422-S424 PolarHBondContact O-N 2.96Å; S424-K427 PolarHBondContact OG-NZ 2.93Å
425T86.1Confident94.7Very high24 Ų2420.8 Ų20.815%0.14711%0.108CC..SBendtrans-76.4150.7172.360.50000111.4D408 K427D408-T425 PolarHBondContact OD2-OG1 3.28Å; T425-K427 WeakPolarHBondContact O-CG 3.31Å; T425-K427 PolarHBondContact O-N 3.39Å; T425-K427 PolarHBondContact O-NZ 3.48Å; T425-K427 PolarHBondContact OG1-NZ 3.47Å
426P90.9Very high94.8Very high55 Ų5520.3 Ų20.336%0.35711%0.105SC..  trans-56.5130.6171.7-25.234.5000112.3Q374 P400 W401Q374-P426 HydrophobicContact CG-CB 4.22Å; P400-P426 WeakPolarHBondContact CA-O 2.95Å; W401-P426 HydrophobicContact CD2-CB 3.48Å; W401-P426 VanDerWaalsContact CD2-CB 3.48Å; W401-P426 VanDerWaalsContact CE2-CB 3.43Å; W401-P426 HydrophobicContact CE3-CB 3.58Å; W401-P426 HydrophobicContact CE3-CG 4.35Å; W401-P426 HydrophobicContact CG-CB 4.19Å; W401-P426 HydrophobicContact CH2-CB 3.62Å; W401-P426 HydrophobicContact CH2-CG 4.35Å; W401-P426 HydrophobicContact CZ2-CB 3.52Å; W401-P426 HydrophobicContact CZ3-CB 3.65Å; W401-P426 HydrophobicContact CZ3-CG 4.19Å; W401-P426 PolarHBondContact N-O 3.41Å; W401-P426 VanDerWaalsContact N-O 3.17Å
427K94.9Very high94.8Very high0 Ų018.8 Ų18.80%010%0.098CC..EExtended strand (participates in β ladder)trans-134.9155.1-171.1-76.9170.6173.978.20112.2L373 C398 K399 P400 W401 D408 Q421 S424 T425L373-K427 WeakPolarHBondContact CB-O 3.45Å; L373-K427 HydrophobicContact CD1-CB 4.19Å; L373-K427 PolarHBondContact N-O 3.44Å; C398-K427 HydrophobicContact CB-CD 4.21Å; K399-K427 CarbonylContact O-C 3.57Å; K399-K427 WeakPolarHBondContact O-CA 3.39Å; K399-K427 WeakPolarHBondContact O-CB 3.49Å; P400-K427 HydrophobicContact CG-CG 4.44Å; W401-K427 VanDerWaalsContact CD1-C 3.5Å; W401-K427 VanDerWaalsContact NE1-C 3.28Å; W401-K427 PolarHBondContact NE1-O 2.85Å; D408-K427 VanDerWaalsContact O-CE 3.31Å; D408-K427 WeakPolarHBondContact O-CE 3.41Å; D408-K427 IonicContact OD1-NZ 3.36Å; D408-K427 PolarHBondContact OD1-NZ 3.45Å; D408-K427 WeakPolarHBondContact OD2-CE 2.99Å; D408-K427 IonicContact OD2-NZ 3.01Å; D408-K427 PolarHBondContact OD2-NZ 2.63Å; Q421-K427 HydrophobicContact CB-CD 3.94Å; Q421-K427 HydrophobicContact CG-CD 4.48Å; S424-K427 PolarHBondContact OG-NZ 2.93Å; T425-K427 WeakPolarHBondContact O-CG 3.31Å; T425-K427 PolarHBondContact O-N 3.39Å; T425-K427 PolarHBondContact O-NZ 3.48Å; T425-K427 PolarHBondContact OG1-NZ 3.47Å
428V96.2Very high94.9Very high0 Ų019.2 Ų19.20%010%0.101CC..EExtended strand (participates in β ladder)trans-98.2150.5157.8-64.40000109.3K348 D349 T370 F371 C398 K399K348-V428 HydrophobicContact CB-CG1 4.4Å; K348-V428 HydrophobicContact CB-CG2 3.94Å; K348-V428 HydrophobicContact CD-CG2 4.32Å; D349-V428 HydrophobicContact CB-CG1 3.64Å; T370-V428 HydrophobicContact CG2-CB 3.8Å; T370-V428 HydrophobicContact CG2-CG1 4.2Å; T370-V428 HydrophobicContact CG2-CG2 4.26Å; F371-V428 CarbonylContact O-C 3.36Å; F371-V428 VanDerWaalsContact O-CA 3.28Å; F371-V428 WeakPolarHBondContact O-CA 3.47Å; C398-V428 CarbonylContact C-O 3.58Å; C398-V428 VanDerWaalsContact CA-O 3.28Å; C398-V428 WeakPolarHBondContact CA-O 3.46Å; K399-V428 HydrophobicContact CB-CG2 4.05Å; K399-V428 PolarHBondContact N-O 2.84Å; K399-V428 PolarHBondContact O-N 2.87Å
429V97.4Very high94.9Very high0 Ų019.5 Ų19.50%010%0.102CC..EExtended strand (participates in β ladder)trans-110.2117.5167.361.60000108.5T370 F371 L373 F380 W396 I418T370-V429 CarbonylContact C-O 3.59Å; T370-V429 WeakPolarHBondContact CA-O 3.44Å; F371-V429 HydrophobicContact CB-CG1 3.79Å; F371-V429 HydrophobicContact CD2-CG1 4.44Å; F371-V429 PolarHBondContact N-O 2.92Å; F371-V429 PolarHBondContact O-N 2.98Å; L373-V429 HydrophobicContact CD1-CB 4.1Å; L373-V429 HydrophobicContact CD2-CB 3.99Å; L373-V429 HydrophobicContact CD2-CG1 3.52Å; L373-V429 HydrophobicContact CG-CB 3.93Å; L373-V429 HydrophobicContact CG-CG1 3.86Å; F380-V429 HydrophobicContact CB-CG1 4.48Å; F380-V429 HydrophobicContact CD1-CG1 4.16Å; F380-V429 HydrophobicContact CD2-CG1 3.51Å; F380-V429 HydrophobicContact CE1-CG1 4.34Å; F380-V429 HydrophobicContact CE2-CB 4.46Å; F380-V429 HydrophobicContact CE2-CG1 3.71Å; F380-V429 HydrophobicContact CE2-CG2 3.85Å; F380-V429 HydrophobicContact CG-CG1 3.75Å; F380-V429 HydrophobicContact CZ-CG1 4.14Å; F380-V429 HydrophobicContact CZ-CG2 3.91Å; W396-V429 HydrophobicContact CB-CG2 3.62Å; W396-V429 HydrophobicContact CD2-CG2 4.12Å; W396-V429 HydrophobicContact CE3-CG2 3.84Å; W396-V429 HydrophobicContact CG-CG2 4.04Å; I418-V429 HydrophobicContact CG2-CB 4.38Å; I418-V429 HydrophobicContact CG2-CG2 3.95Å
430C96.6Very high94.9Very high10 Ų1022.4 Ų22.47%0.06812%0.123CC..EExtended strand (participates in β ladder)trans-111.2144-178.5-53.20000109.8E369 T370 W396 I397 Y432E369-C430 CarbonylContact O-C 3.55Å; E369-C430 VanDerWaalsContact O-CA 3.31Å; E369-C430 WeakPolarHBondContact O-CA 3.45Å; T370-C430 WeakPolarHBondContact CG2-SG 3.16Å; T370-C430 PolarHBondContact OG1-SG 2.8Å; W396-C430 CarbonylContact C-O 3.58Å; W396-C430 WeakPolarHBondContact CA-O 3.49Å; I397-C430 HydrophobicContact CG2-CB 3.89Å; I397-C430 WeakPolarHBondContact CG2-O 3.5Å; I397-C430 PolarHBondContact N-O 3.41Å; I397-C430 PolarHBondContact O-N 2.97Å; C430-Y432 PolarHBondContact O-N 2.95Å; C430-Y432 VanDerWaalsContact O-N 3.16Å
431K97Very high94.9Very high20 Ų2023.6 Ų23.69%0.08713%0.127CC..EExtended strand (participates in β ladder)trans-60.6122174.8-177.472.1-166.370.80108.9E369 D393 H395 W396E369-K431 HydrophobicContact CB-CB 3.99Å; E369-K431 PolarHBondContact O-N 2.86Å; D393-K431 WeakPolarHBondContact O-CE 3.45Å; D393-K431 WeakPolarHBondContact OD1-CE 3.23Å; D393-K431 IonicContact OD1-NZ 2.86Å; D393-K431 PolarHBondContact OD1-NZ 2.92Å; H395-K431 PolarHBondContact O-NZ 2.84Å; W396-K431 HydrophobicContact CD2-CD 4.34Å; W396-K431 VanDerWaalsContact CE3-CA 3.46Å; W396-K431 HydrophobicContact CE3-CB 4.11Å; W396-K431 HydrophobicContact CE3-CD 4.41Å; W396-K431 VanDerWaalsContact CE3-N 3.31Å; W396-K431 HydrophobicContact CH2-CB 4.26Å; W396-K431 HydrophobicContact CH2-CD 4.02Å; W396-K431 HydrophobicContact CZ2-CD 3.97Å; W396-K431 HydrophobicContact CZ3-CB 3.81Å; W396-K431 HydrophobicContact CZ3-CD 4.25Å
432Y98Very high94.9Very high6 Ų630.7 Ų30.72%0.02416%0.16CC..  trans-69.6135.7177.3-171.2-118.2000109.6H395 I397 I411 C430 H434 K447 F479 L481 F484 H490H395-Y432 HydrophobicContact CB-CD1 4.11Å; H395-Y432 HydrophobicContact CB-CG 4.49Å; H395-Y432 VanDerWaalsContact O-CB 3.3Å; H395-Y432 WeakPolarHBondContact O-CB 3.5Å; H395-Y432 PolarHBondContact O-N 2.94Å; I397-Y432 HydrophobicContact CB-CD2 4.06Å; I397-Y432 HydrophobicContact CD1-CD2 4.45Å; I397-Y432 HydrophobicContact CG2-CD2 4.23Å; I411-Y432 HydrophobicContact CD1-CD2 4.35Å; I411-Y432 HydrophobicContact CD1-CE2 3.66Å; I411-Y432 HydrophobicContact CG1-CD2 4.29Å; I411-Y432 HydrophobicContact CG1-CE2 4.1Å; I411-Y432 HydrophobicContact CG2-CD1 3.97Å; I411-Y432 HydrophobicContact CG2-CD2 3.94Å; I411-Y432 HydrophobicContact CG2-CE1 4.09Å; I411-Y432 HydrophobicContact CG2-CE2 4.07Å; I411-Y432 HydrophobicContact CG2-CG 3.89Å; C430-Y432 PolarHBondContact O-N 2.95Å; C430-Y432 VanDerWaalsContact O-N 3.16Å; Y432-H434 PolarHBondContact O-N 3.01Å; Y432-K447 PolarHBondContact OH-NZ 3.34Å; Y432-F479 HydrophobicContact CE1-CE2 4.13Å; Y432-F479 HydrophobicContact CE1-CZ 4.3Å; Y432-L481 HydrophobicContact CD1-CD2 4.26Å; Y432-L481 HydrophobicContact CE1-CD2 4.08Å; Y432-F484 HydrophobicContact CD1-CE1 4.46Å; Y432-F484 HydrophobicContact CE1-CE1 4.08Å; Y432-H490 AromaticContact CZ-ND1 3.97Å; Y432-H490 PolarHBondContact OH-ND1 3.23Å
433L96.9Very high95Very high14 Ų1433 Ų337%0.07318%0.177CC..  trans-72.794.9178.5-59.5-173000108.9P368 P436 M565 K567 Q581 L583P368-L433 HydrophobicContact CG-CD2 4.31Å; L433-P436 HydrophobicContact CB-CB 4.46Å; L433-P436 WeakPolarHBondContact O-CD 3.31Å; L433-M565 HydrophobicContact CD1-CB 3.68Å; L433-M565 HydrophobicContact CD1-CG 4.45Å; L433-M565 HydrophobicContact CD1-SD 4.09Å; L433-K567 HydrophobicContact CD2-CB 4.35Å; L433-K567 HydrophobicContact CD2-CD 4.19Å; L433-Q581 HydrophobicContact CD1-CB 3.94Å; L433-Q581 HydrophobicContact CD1-CG 3.99Å; L433-Q581 HydrophobicContact CD2-CB 4.38Å; L433-Q581 HydrophobicContact CD2-CG 3.83Å; L433-L583 HydrophobicContact CD1-CD2 4.39Å
434H95.6Very high95.4Very high81 Ų8131.9 Ų31.938%0.37518%0.179SC..SBendtrans-83.3-23.3-175.468.1-79.9000113.5D393 Y432 P436 L481D393-H434 IonicContact OD1-CG 3.21Å; D393-H434 IonicContact OD2-CG 3.66Å; Y432-H434 PolarHBondContact O-N 3.01Å; H434-P436 VanDerWaalsContact C-CD 3.42Å; H434-L481 HydrophobicContact CB-CD1 3.98Å; H434-L481 HydrophobicContact CB-CD2 4.04Å
435D96.8Very high95.9Very high68 Ų6834.7 Ų34.736%0.36419%0.191SC..SBendtrans-124.766.3172.5-170.715.7000110.8W568 R576D435-W568 PolarHBondContact O-N 3.44Å; D435-W568 WeakPolarHBondContact OD2-CB 3.45Å; D435-R576 IonicContact OD1-NH2 3.81Å; D435-R576 PolarHBondContact OD1-NH2 2.73Å; D435-R576 IonicContact OD2-CZ 3.21Å; D435-R576 IonicContact OD2-NH2 3.31Å; D435-R576 PolarHBondContact OD2-NH2 3.36Å
436P97.9Very high96.5Very high2 Ų233.5 Ų33.51%0.01318%0.184CC..BIsolated β-bridgetrans-73.6155.817732.9-33.8000111.2L433 H434 L438 K447 F479 M565 L566L433-P436 HydrophobicContact CB-CB 4.46Å; L433-P436 WeakPolarHBondContact O-CD 3.31Å; H434-P436 VanDerWaalsContact C-CD 3.42Å; P436-L438 HydrophobicContact CG-CD2 3.85Å; P436-L438 PolarHBondContact O-N 2.77Å; P436-K447 HydrophobicContact CG-CG 4.32Å; P436-F479 VanDerWaalsContact CD-CE1 3.43Å; P436-F479 HydrophobicContact CG-CD1 3.92Å; P436-F479 HydrophobicContact CG-CE1 3.65Å; P436-F479 HydrophobicContact CG-CE2 4.49Å; P436-F479 HydrophobicContact CG-CG 4.44Å; P436-F479 HydrophobicContact CG-CZ 3.94Å; P436-M565 HydrophobicContact CB-CE 3.88Å; P436-L566 WeakPolarHBondContact CA-O 3.5Å
437V98.4Very high96.8Very high1 Ų131.4 Ų31.41%0.00617%0.169CC..  trans-67.4129.7162.9-175.50000107.8F448 F514 Y518 L566 W568 M578V437-F448 HydrophobicContact CG1-CE1 4.28Å; V437-F448 HydrophobicContact CG1-CZ 4.41Å; V437-F448 VanDerWaalsContact O-CE1 3.31Å; V437-F448 WeakPolarHBondContact O-CE1 3.13Å; V437-F514 HydrophobicContact CG1-CE2 4.14Å; V437-Y518 HydrophobicContact CG1-CD2 4.41Å; V437-Y518 HydrophobicContact CG1-CE2 3.65Å; V437-L566 HydrophobicContact CB-CB 3.83Å; V437-L566 HydrophobicContact CG2-CB 3.46Å; V437-L566 VanDerWaalsContact CG2-CB 3.46Å; V437-L566 PolarHBondContact N-O 3.21Å; V437-W568 HydrophobicContact CG1-CZ2 4.14Å; V437-W568 HydrophobicContact CG2-CD2 3.96Å; V437-W568 HydrophobicContact CG2-CE3 4.48Å; V437-W568 HydrophobicContact CG2-CG 4.29Å; V437-W568 HydrophobicContact CG2-CZ2 4.07Å; V437-M578 HydrophobicContact CG1-CE 3.91Å; V437-M578 HydrophobicContact CG1-SD 4.47Å; V437-M578 HydrophobicContact CG2-CB 4.47Å; V437-M578 HydrophobicContact CG2-CE 4.34Å; V437-M578 HydrophobicContact CG2-CG 3.87Å; V437-M578 HydrophobicContact CG2-SD 4.22Å
438L98.4Very high97Very high30 Ų3031.5 Ų31.516%0.15717%0.169CC..  trans-108.1157.5-176.6-61.5177.2000110.4P436 M445 V446 K447 F479 Q517 Y518P436-L438 HydrophobicContact CG-CD2 3.85Å; P436-L438 PolarHBondContact O-N 2.77Å; L438-M445 HydrophobicContact CB-CB 4.08Å; L438-M445 HydrophobicContact CB-CE 3.64Å; L438-M445 HydrophobicContact CD1-CB 3.85Å; L438-V446 WeakPolarHBondContact CA-O 3.21Å; L438-V446 WeakPolarHBondContact CD2-O 3.45Å; L438-K447 HydrophobicContact CD2-CG 4.16Å; L438-F479 HydrophobicContact CD1-CB 4.16Å; L438-F479 HydrophobicContact CD1-CD1 4.2Å; L438-F479 HydrophobicContact CD2-CB 3.56Å; L438-F479 HydrophobicContact CD2-CD1 3.9Å; L438-F479 HydrophobicContact CD2-CG 3.9Å; L438-Q517 PolarHBondContact O-NE2 3.14Å; L438-Y518 WeakPolarHBondContact O-CE2 3.3Å; L438-Y518 PolarHBondContact O-OH 3.01Å
439F98Very high97Very high5 Ų531.6 Ų31.62%0.02217%0.17CC..EExtended strand (participates in β ladder)trans-115.9134.5176-166.4-100.3000110.5R441 V446 F448 F474 F510 M513F439-R441 HydrophobicContact CD1-CG 4.04Å; F439-V446 PolarHBondContact N-O 2.99Å; F439-V446 PolarHBondContact O-N 2.97Å; F439-F448 HydrophobicContact CB-CD1 3.64Å; F439-F448 HydrophobicContact CB-CE1 3.99Å; F439-F448 HydrophobicContact CB-CG 4.29Å; F439-F474 HydrophobicContact CB-CD1 4.3Å; F439-F474 HydrophobicContact CB-CE1 3.9Å; F439-F474 HydrophobicContact CD1-CD1 4.16Å; F439-F474 AromaticContact CD1-CE1 3.5Å; F439-F474 HydrophobicContact CD1-CE1 3.5Å; F439-F474 HydrophobicContact CD1-CZ 4.23Å; F439-F474 HydrophobicContact CD2-CE1 4.47Å; F439-F474 HydrophobicContact CE1-CE1 4.09Å; F439-F474 HydrophobicContact CE1-CZ 4.37Å; F439-F474 HydrophobicContact CG-CD1 4.47Å; F439-F474 AromaticContact CG-CE1 3.71Å; F439-F474 HydrophobicContact CG-CE1 3.71Å; F439-F510 HydrophobicContact CD2-CD2 4.18Å; F439-F510 AromaticContact CD2-CE2 3.61Å; F439-F510 HydrophobicContact CD2-CE2 3.61Å; F439-F510 AromaticContact CE2-CD2 3.64Å; F439-F510 HydrophobicContact CE2-CD2 3.64Å; F439-F510 AromaticContact CE2-CE2 3.51Å; F439-F510 HydrophobicContact CE2-CE2 3.51Å; F439-F510 HydrophobicContact CG-CE2 4.48Å; F439-F510 HydrophobicContact CZ-CD2 4.04Å; F439-F510 HydrophobicContact CZ-CE2 4.31Å; F439-M513 HydrophobicContact CE1-CE 3.98Å; F439-M513 HydrophobicContact CE2-CB 4.29Å; F439-M513 HydrophobicContact CZ-CB 3.92Å; F439-M513 HydrophobicContact CZ-CE 3.73Å; F439-M513 HydrophobicContact CZ-SD 4.29Å
440S97.3Very high97Very high64 Ų6431.6 Ų31.645%0.44817%0.17SC..EExtended strand (participates in β ladder)trans-76.3125.3178.5-171.60000110.4
441R94.6Very high97.1Very high28 Ų2832.9 Ų32.911%0.10617%0.173CC..EExtended strand (participates in β ladder)trans-129.1173.3173.6-70.9-178.859.9-167.1-6.1110.1F439 V443 G444 V446 A475 N476F439-R441 HydrophobicContact CD1-CG 4.04Å; R441-V443 HydrophobicContact CB-CG2 3.93Å; R441-V443 PolarHBondContact O-N 2.86Å; R441-V443 VanDerWaalsContact O-N 3.1Å; R441-G444 PolarHBondContact N-O 3.42Å; R441-G444 PolarHBondContact O-N 2.86Å; R441-V446 VanDerWaalsContact CD-CG2 3.45Å; R441-V446 HydrophobicContact CG-CG2 4.01Å; R441-A475 PolarHBondContact NH1-O 3Å; R441-N476 PolarHBondContact NH1-OD1 3.5Å; R441-N476 VanDerWaalsContact NH1-OD1 3.16Å
442E93.8Very high97.1Very high148 Ų14831.9 Ų31.969%0.69217%0.169SC*.THydrogen-bonded Turntrans-57.6-26.6175.8-5085.1172.600112.4K503E442-K503 IonicContact OE1-NZ 2.73Å; E442-K503 PolarHBondContact OE1-NZ 3.28Å; E442-K503 IonicContact OE2-NZ 3.55Å
443V94.6Very high97.1Very high71 Ų7131.8 Ų31.843%0.4317%0.169SC..THydrogen-bonded Turntrans-86.7-10.5177.9-62.70000114R441 V446 P478R441-V443 HydrophobicContact CB-CG2 3.93Å; R441-V443 PolarHBondContact O-N 2.86Å; R441-V443 VanDerWaalsContact O-N 3.1Å; V443-V446 HydrophobicContact CG2-CG1 3.69Å; V443-P478 WeakPolarHBondContact O-CG 3.34Å
444G96.9Very high97.2Very high27 Ų2731.1 Ų31.128%0.27817%0.166SC..EExtended strand (participates in β ladder)trans120.7-164.1-174.800000113.9R441 V446R441-G444 PolarHBondContact N-O 3.42Å; R441-G444 PolarHBondContact O-N 2.86Å; G444-V446 PolarHBondContact O-N 3.24Å
445M98.2Very high97.3Very high74 Ų7427.3 Ų27.337%0.36515%0.148SC..EExtended strand (participates in β ladder)trans-81.7110.9179.4-65.6-64.2-71.800110.6L438 P478 F479L438-M445 HydrophobicContact CB-CB 4.08Å; L438-M445 HydrophobicContact CB-CE 3.64Å; L438-M445 HydrophobicContact CD1-CB 3.85Å; M445-P478 CarbonylContact O-C 3.59Å; M445-P478 VanDerWaalsContact O-CA 3.28Å; M445-P478 WeakPolarHBondContact O-CA 3.26Å; M445-F479 PolarHBondContact O-N 2.84Å
446V98.1Very high97.4Very high0 Ų024 Ų240%013%0.13CC..EExtended strand (participates in β ladder)trans-111.9157.5-173.7-55.30000112.5L438 F439 R441 V443 G444 F474 A475 K477L438-V446 WeakPolarHBondContact CA-O 3.21Å; L438-V446 WeakPolarHBondContact CD2-O 3.45Å; F439-V446 PolarHBondContact N-O 2.99Å; F439-V446 PolarHBondContact O-N 2.97Å; R441-V446 VanDerWaalsContact CD-CG2 3.45Å; R441-V446 HydrophobicContact CG-CG2 4.01Å; V443-V446 HydrophobicContact CG2-CG1 3.69Å; G444-V446 PolarHBondContact O-N 3.24Å; V446-F474 HydrophobicContact CG2-CB 4.46Å; V446-F474 HydrophobicContact CG2-CD1 4.19Å; V446-A475 HydrophobicContact CB-CB 4.32Å; V446-K477 WeakPolarHBondContact CG1-O 3.28Å
447K98Very high97.3Very high11 Ų1124.2 Ų24.25%0.04813%0.131CC..  trans-66.8149.1164.8-71.1179.376.9-178.70110.3Y432 P436 L438 A475 F479 H490 T492 M565Y432-K447 PolarHBondContact OH-NZ 3.34Å; P436-K447 HydrophobicContact CG-CG 4.32Å; L438-K447 HydrophobicContact CD2-CG 4.16Å; K447-A475 HydrophobicContact CB-CB 4.05Å; K447-A475 WeakPolarHBondContact O-CB 3.47Å; K447-A475 PolarHBondContact O-N 3.27Å; K447-F479 HydrophobicContact CD-CD2 3.42Å; K447-F479 VanDerWaalsContact CD-CD2 3.42Å; K447-F479 HydrophobicContact CD-CE2 3.67Å; K447-F479 HydrophobicContact CD-CG 4.27Å; K447-F479 HydrophobicContact CG-CB 4.04Å; K447-F479 HydrophobicContact CG-CD2 3.51Å; K447-F479 HydrophobicContact CG-CE2 4.14Å; K447-F479 HydrophobicContact CG-CG 3.85Å; K447-H490 PolarHBondContact NZ-O 3.34Å; K447-T492 HydrophobicContact CB-CG2 4.18Å; K447-M565 HydrophobicContact CB-CE 4.06Å; K447-M565 HydrophobicContact CD-CE 4.4Å; K447-M565 VanDerWaalsContact CE-CE 3.44Å; K447-M565 HydrophobicContact CG-CE 4.15Å
448F97.7Very high97.2Very high1 Ų124.8 Ų24.80%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-144.8151.4167.370-77.2000109.5V437 F439 I450 L472 R473 F474 F510 F514 M565V437-F448 HydrophobicContact CG1-CE1 4.28Å; V437-F448 HydrophobicContact CG1-CZ 4.41Å; V437-F448 VanDerWaalsContact O-CE1 3.31Å; V437-F448 WeakPolarHBondContact O-CE1 3.13Å; F439-F448 HydrophobicContact CB-CD1 3.64Å; F439-F448 HydrophobicContact CB-CE1 3.99Å; F439-F448 HydrophobicContact CB-CG 4.29Å; F448-I450 HydrophobicContact CD2-CG1 4.15Å; F448-I450 HydrophobicContact CE2-CD1 3.96Å; F448-I450 HydrophobicContact CE2-CG1 3.95Å; F448-L472 HydrophobicContact CD2-CD2 3.9Å; F448-L472 HydrophobicContact CE2-CD2 4.3Å; F448-R473 CarbonylContact C-O 3.55Å; F448-R473 WeakPolarHBondContact CA-O 3.29Å; F448-R473 WeakPolarHBondContact CB-O 3.49Å; F448-F474 HydrophobicContact CB-CD1 3.46Å; F448-F474 VanDerWaalsContact CB-CD1 3.46Å; F448-F474 HydrophobicContact CB-CE1 3.66Å; F448-F474 HydrophobicContact CB-CG 4.24Å; F448-F474 HydrophobicContact CG-CD1 4.36Å; F448-F474 HydrophobicContact CG-CE1 4.12Å; F448-F510 HydrophobicContact CD2-CE2 4.39Å; F448-F510 HydrophobicContact CD2-CZ 4.41Å; F448-F510 HydrophobicContact CE2-CE2 4.05Å; F448-F510 AromaticContact CE2-CZ 3.7Å; F448-F510 HydrophobicContact CE2-CZ 3.7Å; F448-F510 HydrophobicContact CZ-CE2 4.48Å; F448-F510 HydrophobicContact CZ-CZ 4.14Å; F448-F514 HydrophobicContact CZ-CE2 4.14Å; F448-M565 VanDerWaalsContact O-CE 3.26Å; F448-M565 WeakPolarHBondContact O-CE 3.03Å; F448-M565 WeakPolarHBondContact O-CG 3.44Å
449D97.5Very high97.1Very high3 Ų324 Ų242%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-117.6160.7167.881.3-113.1000109.5R473 T492 L564 M565D449-R473 VanDerWaalsContact CG-NE 3.29Å; D449-R473 PolarHBondContact N-O 3.35Å; D449-R473 PolarHBondContact O-N 3.17Å; D449-R473 VanDerWaalsContact O-N 3.15Å; D449-R473 VanDerWaalsContact OD1-CB 3.25Å; D449-R473 WeakPolarHBondContact OD1-CB 3.33Å; D449-R473 IonicContact OD1-CZ 3.13Å; D449-R473 IonicContact OD1-NE 2.82Å; D449-R473 PolarHBondContact OD1-NE 2.81Å; D449-R473 IonicContact OD1-NH2 2.72Å; D449-R473 IonicContact OD2-CZ 3.12Å; D449-R473 IonicContact OD2-NE 3.86Å; D449-R473 PolarHBondContact OD2-NE 3.1Å; D449-R473 IonicContact OD2-NH2 3.21Å; D449-R473 PolarHBondContact OD2-NH2 2.93Å; D449-T492 WeakPolarHBondContact OD1-CB 3.27Å; D449-T492 PolarHBondContact OD1-OG1 2.97Å; D449-L564 CarbonylContact C-O 3.59Å; D449-L564 WeakPolarHBondContact CA-O 3.46Å; D449-L564 WeakPolarHBondContact CB-O 3.32Å; D449-M565 HydrophobicContact CB-CG 3.84Å
450I97.8Very high96.8Very high0 Ų030.6 Ų30.60%016%0.162CC..EExtended strand (participates in β ladder)trans-118.7131.2178.4-53.2140.8000108.1F448 Y452 F470 L472 W523 L564 L566F448-I450 HydrophobicContact CD2-CG1 4.15Å; F448-I450 HydrophobicContact CE2-CD1 3.96Å; F448-I450 HydrophobicContact CE2-CG1 3.95Å; I450-Y452 HydrophobicContact CG2-CD2 3.73Å; I450-Y452 HydrophobicContact CG2-CE2 3.51Å; I450-F470 HydrophobicContact CG2-CB 3.96Å; I450-F470 HydrophobicContact CG2-CD2 3.63Å; I450-F470 HydrophobicContact CG2-CE2 4.35Å; I450-F470 HydrophobicContact CG2-CG 3.97Å; I450-L472 HydrophobicContact CG1-CD2 3.82Å; I450-W523 HydrophobicContact CD1-CH2 3.67Å; I450-W523 HydrophobicContact CD1-CZ3 4.44Å; I450-W523 HydrophobicContact CG1-CH2 4.3Å; I450-L564 HydrophobicContact CB-CD1 4.15Å; I450-L564 HydrophobicContact CB-CG 4.28Å; I450-L564 HydrophobicContact CD1-CD1 3.75Å; I450-L564 PolarHBondContact N-O 2.63Å; I450-L564 PolarHBondContact O-N 2.8Å; I450-L566 HydrophobicContact CD1-CD1 4.4Å; I450-L566 HydrophobicContact CD1-CG 4.28Å
451R97.7Very high96.7Very high36 Ų3632.4 Ų32.414%0.13617%0.173CC..EExtended strand (participates in β ladder)trans-108.7113.5173.1175168.3-74.1-177.5-9110.5F470 W471 R473 A561 V562 D563 N586R451-F470 CarbonylContact O-C 2.73Å; R451-F470 VanDerWaalsContact O-CA 3.3Å; R451-F470 WeakPolarHBondContact O-CA 3.34Å; R451-F470 WeakPolarHBondContact O-CB 3.26Å; R451-W471 HydrophobicContact CB-CB 4.3Å; R451-W471 PolarHBondContact N-O 3.36Å; R451-W471 PolarHBondContact O-N 3.41Å; R451-R473 VanDerWaalsContact CZ-NH1 3.31Å; R451-A561 HydrophobicContact CG-CB 3.9Å; R451-V562 WeakPolarHBondContact CA-O 3.3Å; R451-D563 IonicContact CZ-OD1 2.97Å; R451-D563 VanDerWaalsContact CZ-OD1 3.31Å; R451-D563 IonicContact CZ-OD2 2.87Å; R451-D563 IonicContact NE-OD1 3.5Å; R451-D563 PolarHBondContact NE-OD1 2.89Å; R451-D563 IonicContact NE-OD2 3.66Å; R451-D563 VanDerWaalsContact NH2-CG 3.34Å; R451-D563 IonicContact NH2-OD1 3.5Å; R451-D563 PolarHBondContact NH2-OD1 2.83Å; R451-D563 VanDerWaalsContact NH2-OD1 3.08Å; R451-D563 IonicContact NH2-OD2 2.99Å; R451-D563 PolarHBondContact NH2-OD2 3.1Å; R451-N586 PolarHBondContact NH2-ND2 2.86Å
452Y98Very high96.8Very high0 Ų032.2 Ų32.20%017%0.174CC..EExtended strand (participates in β ladder)trans-97.9149.4167.6-82.8-92.9000110.6I450 V466 F470 E527 L530 F531 F534 A561 V562 L564I450-Y452 HydrophobicContact CG2-CD2 3.73Å; I450-Y452 HydrophobicContact CG2-CE2 3.51Å; Y452-V466 HydrophobicContact CD1-CG1 3.52Å; Y452-V466 HydrophobicContact CE1-CG1 4.19Å; Y452-V466 HydrophobicContact CG-CG1 4.31Å; Y452-F470 HydrophobicContact CD1-CB 3.92Å; Y452-F470 HydrophobicContact CD2-CB 3.99Å; Y452-F470 HydrophobicContact CE1-CB 3.86Å; Y452-F470 AromaticContact CE1-CD1 3.7Å; Y452-F470 HydrophobicContact CE1-CD1 3.7Å; Y452-F470 HydrophobicContact CE1-CG 4.15Å; Y452-F470 HydrophobicContact CE2-CB 3.9Å; Y452-F470 HydrophobicContact CE2-CD1 4.14Å; Y452-F470 HydrophobicContact CE2-CG 4.05Å; Y452-F470 HydrophobicContact CG-CB 4.01Å; Y452-F470 AromaticContact CZ-CD1 3.44Å; Y452-F470 VanDerWaalsContact CZ-CD1 3.44Å; Y452-F470 AromaticContact CZ-CG 3.81Å; Y452-F470 VanDerWaalsContact OH-CD1 3.27Å; Y452-F470 WeakPolarHBondContact OH-CD1 3.47Å; Y452-E527 PolarHBondContact OH-OE1 3.11Å; Y452-L530 HydrophobicContact CD2-CD1 4.28Å; Y452-L530 HydrophobicContact CE2-CD1 3.46Å; Y452-L530 VanDerWaalsContact CE2-CD1 3.46Å; Y452-F531 HydrophobicContact CD1-CE1 4.18Å; Y452-F531 AromaticContact CE1-CE1 3.77Å; Y452-F531 HydrophobicContact CE1-CE1 3.77Å; Y452-F531 HydrophobicContact CE1-CZ 4.23Å; Y452-F534 HydrophobicContact CD2-CE2 4.4Å; Y452-F534 HydrophobicContact CD2-CZ 4.22Å; Y452-F534 HydrophobicContact CG-CE2 4.2Å; Y452-F534 HydrophobicContact CG-CZ 4.36Å; Y452-A561 CarbonylContact O-C 3.28Å; Y452-A561 WeakPolarHBondContact O-CA 3.24Å; Y452-V562 PolarHBondContact N-O 3.13Å; Y452-V562 PolarHBondContact O-N 2.84Å; Y452-L564 HydrophobicContact CD2-CD2 4.27Å
453M97.8Very high97Very high3 Ų328.3 Ų28.32%0.01515%0.152CC..EExtended strand (participates in β ladder)trans-99122.6170-63.1-64.9-17500109.4Y467 W471 A561 P589 F601M453-Y467 PolarHBondContact O-N 2.84Å; M453-W471 HydrophobicContact CE-CE3 4.41Å; M453-W471 HydrophobicContact CE-CZ3 4.28Å; M453-W471 HydrophobicContact CG-CE3 4.33Å; M453-W471 HydrophobicContact CG-CH2 4.3Å; M453-W471 HydrophobicContact CG-CZ3 3.6Å; M453-A561 HydrophobicContact CE-CB 4.33Å; M453-A561 HydrophobicContact SD-CB 3.84Å; M453-P589 HydrophobicContact CE-CB 4.44Å; M453-P589 HydrophobicContact CE-CG 3.81Å; M453-P589 HydrophobicContact SD-CG 3.87Å; M453-F601 HydrophobicContact CE-CZ 4.49Å; M453-F601 HydrophobicContact CG-CE2 4.04Å; M453-F601 HydrophobicContact CG-CZ 4.19Å
454L98.1Very high97.2Very high1 Ų124.9 Ų24.91%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-104139.5175.9-53.2-176.9000109.3L464 Y465 V466 F534 F538 I559 Y560 V562 L585L454-L464 HydrophobicContact CB-CD1 4.28Å; L454-Y465 CarbonylContact C-O 3.57Å; L454-Y465 WeakPolarHBondContact CA-O 3.31Å; L454-V466 HydrophobicContact CD2-CB 4.29Å; L454-V466 HydrophobicContact CD2-CG1 4.08Å; L454-V466 HydrophobicContact CD2-CG2 3.71Å; L454-F534 HydrophobicContact CD1-CB 4.34Å; L454-F534 HydrophobicContact CD1-CG 4.22Å; L454-F534 HydrophobicContact CD2-CD2 3.63Å; L454-F534 HydrophobicContact CD2-CE2 4Å; L454-F534 HydrophobicContact CD2-CG 4.13Å; L454-F538 HydrophobicContact CD1-CD2 4.4Å; L454-F538 HydrophobicContact CD1-CE2 3.58Å; L454-F538 HydrophobicContact CD1-CZ 4.34Å; L454-I559 CarbonylContact O-C 3.57Å; L454-I559 VanDerWaalsContact O-CA 3.25Å; L454-I559 WeakPolarHBondContact O-CA 3.36Å; L454-Y560 PolarHBondContact N-O 3.48Å; L454-Y560 PolarHBondContact O-N 3.02Å; L454-V562 HydrophobicContact CD1-CB 4.01Å; L454-V562 HydrophobicContact CD1-CG1 3.86Å; L454-V562 HydrophobicContact CD2-CG1 4.14Å; L454-V562 HydrophobicContact CG-CB 4.37Å; L454-V562 HydrophobicContact CG-CG1 3.85Å; L454-L585 HydrophobicContact CD1-CD2 4.45Å
455M98Very high97.3Very high0 Ų023.9 Ų23.90%012%0.12CC..EExtended strand (participates in β ladder)trans-119.1103.5178.1-70.8163.9-75.600108.4H457 Y465 A558 I559 M605 T608 L609 V619M455-H457 PolarHBondContact O-N 3.24Å; M455-Y465 PolarHBondContact N-O 3.15Å; M455-Y465 PolarHBondContact O-N 3.1Å; M455-A558 CarbonylContact C-O 3.55Å; M455-A558 WeakPolarHBondContact CA-O 3.46Å; M455-I559 HydrophobicContact CG-CG2 4.09Å; M455-M605 HydrophobicContact CE-CE 4.14Å; M455-M605 HydrophobicContact CG-CE 4.31Å; M455-M605 HydrophobicContact CG-SD 3.54Å; M455-M605 VanDerWaalsContact CG-SD 3.54Å; M455-M605 HydrophobicContact SD-CE 3.68Å; M455-M605 HydrophobicContact SD-SD 3.54Å; M455-T608 HydrophobicContact SD-CG2 3.86Å; M455-L609 HydrophobicContact CB-CD2 3.85Å; M455-L609 HydrophobicContact CB-CG 4.28Å; M455-L609 HydrophobicContact CG-CD1 4.4Å; M455-L609 HydrophobicContact CG-CG 4.41Å; M455-V619 HydrophobicContact CE-CB 3.89Å; M455-V619 HydrophobicContact CE-CG1 3.28Å; M455-V619 HydrophobicContact SD-CG1 4.07Å
456L97.8Very high97.3Very high0 Ų020.3 Ų20.30%010%0.102CC..EExtended strand (participates in β ladder)trans-85.5110.6175.5-177.964.3000108.7F339 V459 L462 L464 F538 I550 A558 Y560F339-L456 HydrophobicContact CD2-CD2 3.72Å; F339-L456 HydrophobicContact CD2-CG 4.3Å; F339-L456 HydrophobicContact CE2-CB 4.09Å; F339-L456 HydrophobicContact CE2-CD2 3.57Å; F339-L456 HydrophobicContact CE2-CG 3.63Å; F339-L456 HydrophobicContact CG-CD2 4.31Å; F339-L456 HydrophobicContact CZ-CD2 4.06Å; F339-L456 HydrophobicContact CZ-CG 3.93Å; L456-V459 HydrophobicContact CD1-CG1 4.1Å; L456-V459 HydrophobicContact CD2-CG1 3.8Å; L456-V459 HydrophobicContact CG-CG1 4.29Å; L456-L462 HydrophobicContact CD1-CD1 3.63Å; L456-L464 HydrophobicContact CB-CD1 4.22Å; L456-L464 HydrophobicContact CD1-CD1 4.21Å; L456-F538 HydrophobicContact CD1-CD1 4.15Å; L456-F538 HydrophobicContact CD2-CD1 4.25Å; L456-F538 HydrophobicContact CD2-CE1 4.02Å; L456-I550 HydrophobicContact CD2-CD1 4.06Å; L456-A558 HydrophobicContact CB-CB 4.49Å; L456-A558 PolarHBondContact N-O 3.1Å; L456-A558 PolarHBondContact O-N 3.17Å; L456-Y560 HydrophobicContact CB-CD2 4.38Å; L456-Y560 HydrophobicContact CB-CE2 3.78Å; L456-Y560 HydrophobicContact CD2-CE2 3.92Å
457H96.6Very high97.3Very high5 Ų520.5 Ų20.52%0.02310%0.103CC..EExtended strand (participates in β ladder)trans-88.8-42.4-179.4177.1-75000111.7M455 R463 Y465 R557 L609 D612M455-H457 PolarHBondContact O-N 3.24Å; H457-R463 HydrophobicContact CB-CB 3.98Å; H457-R463 PolarHBondContact CE1-NH1 2.93Å; H457-R463 PolarHBondContact N-O 2.99Å; H457-R463 PolarHBondContact ND1-NH1 3.38Å; H457-Y465 HydrophobicContact CB-CD2 4.34Å; H457-Y465 HydrophobicContact CB-CE2 3.94Å; H457-R557 PolarHBondContact CD2-NE 2.84Å; H457-R557 PolarHBondContact CE1-NH2 2.92Å; H457-R557 VanDerWaalsContact CE1-NH2 3.26Å; H457-R557 PolarHBondContact NE2-NE 3.1Å; H457-R557 PolarHBondContact NE2-NH2 3.01Å; H457-R557 VanDerWaalsContact NE2-NH2 3.13Å; H457-R557 VanDerWaalsContact O-CD 3.23Å; H457-R557 WeakPolarHBondContact O-CD 3.27Å; H457-R557 PolarHBondContact O-NE 3.44Å; H457-R557 PolarHBondContact O-NH1 2.77Å; H457-L609 HydrophobicContact CB-CD2 4.32Å; H457-L609 PolarHBondContact CD2-O 3.21Å; H457-D612 IonicContact CD2-OD1 2.69Å; H457-D612 IonicContact CE1-OD1 3.59Å; H457-D612 IonicContact NE2-OD1 2.94Å; H457-D612 PolarHBondContact NE2-OD1 2.97Å; H457-D612 IonicContact NE2-OD2 3.22Å
458S96Very high97.2Very high13 Ų1322.5 Ų22.59%0.09111%0.114CC..EExtended strand (participates in β ladder)trans-156.6154.6177.554.20000110P461 L462 R463S458-P461 CarbonylContact C-O 3.55Å; S458-P461 WeakPolarHBondContact CB-O 3.37Å; S458-P461 PolarHBondContact OG-O 2.84Å; S458-L462 CarbonylContact O-C 3.58Å; S458-L462 VanDerWaalsContact O-CA 3.28Å; S458-L462 WeakPolarHBondContact O-CA 3.5Å; S458-R463 PolarHBondContact N-O 3.48Å; S458-R463 PolarHBondContact O-N 2.79Å; S458-R463 WeakPolarHBondContact OG-CB 3.46Å; S458-R463 WeakPolarHBondContact OG-CG 3.42Å
459V95.9Very high97.1Very high13 Ų1322.7 Ų22.78%0.07912%0.115CC..EExtended strand (participates in β ladder)trans-103.7-18174.6-64.20000113F339 L456 P461 L462 I550 P552F339-V459 HydrophobicContact CD1-CG1 4.39Å; F339-V459 HydrophobicContact CE1-CG1 4.21Å; F339-V459 HydrophobicContact CE1-CG2 4.4Å; L456-V459 HydrophobicContact CD1-CG1 4.1Å; L456-V459 HydrophobicContact CD2-CG1 3.8Å; L456-V459 HydrophobicContact CG-CG1 4.29Å; V459-P461 VanDerWaalsContact C-C 3.46Å; V459-P461 CarbonylContact C-O 3.48Å; V459-P461 CarbonylContact O-C 3.54Å; V459-L462 PolarHBondContact O-N 2.79Å; V459-I550 HydrophobicContact CG1-CB 4.11Å; V459-I550 HydrophobicContact CG1-CD1 4.49Å; V459-I550 HydrophobicContact CG1-CG2 3.87Å; V459-P552 VanDerWaalsContact CG2-CA 3.4Å; V459-P552 HydrophobicContact CG2-CB 3.73Å; V459-P552 HydrophobicContact CG2-CG 3.8Å
460Q92.9Very high97.1Very high144 Ų14422.7 Ų22.767%0.67312%0.115SC*.THydrogen-bonded Turntrans-14197.3177.8-169.5172.4-4.200111.4P552Q460-P552 HydrophobicContact CB-CB 4.19Å; Q460-P552 HydrophobicContact CB-CG 4.32Å
461P94.9Very high97Very high102 Ų10223.4 Ų23.466%0.66212%0.118SC*.THydrogen-bonded Turncis-65.9153.3-8.430.8-35.5000111.7S458 V459 R463S458-P461 CarbonylContact C-O 3.55Å; S458-P461 WeakPolarHBondContact CB-O 3.37Å; S458-P461 PolarHBondContact OG-O 2.84Å; V459-P461 VanDerWaalsContact C-C 3.46Å; V459-P461 CarbonylContact C-O 3.48Å; V459-P461 CarbonylContact O-C 3.54Å; P461-R463 PolarHBondContact O-N 2.6Å
462L97.3Very high96.9Very high25 Ų2521.7 Ų21.713%0.13111%0.112CC..EExtended strand (participates in β ladder)trans-65.8119.4175.8-179.859.5000109.7L456 S458 V459 F538 Q539 V623L456-L462 HydrophobicContact CD1-CD1 3.63Å; S458-L462 CarbonylContact O-C 3.58Å; S458-L462 VanDerWaalsContact O-CA 3.28Å; S458-L462 WeakPolarHBondContact O-CA 3.5Å; V459-L462 PolarHBondContact O-N 2.79Å; L462-F538 HydrophobicContact CD1-CB 4.31Å; L462-F538 HydrophobicContact CD2-CB 4.15Å; L462-Q539 HydrophobicContact CD2-CB 4.37Å; L462-Q539 HydrophobicContact CD2-CG 3.67Å; L462-V623 HydrophobicContact CB-CG1 4.09Å; L462-V623 HydrophobicContact CD2-CB 4.37Å; L462-V623 HydrophobicContact CD2-CG1 3.96Å; L462-V623 HydrophobicContact CD2-CG2 4.33Å; L462-V623 HydrophobicContact CG-CB 4.17Å; L462-V623 HydrophobicContact CG-CG1 3.86Å; L462-V623 WeakPolarHBondContact O-CG1 3.3Å
463R97.7Very high96.8Very high65 Ų6522.3 Ų22.325%0.24511%0.114CC..EExtended strand (participates in β ladder)trans-126.5114.8172.9-70.5176.464.1-163.3-6.6108.5H457 S458 P461 Y465 D612 V623H457-R463 HydrophobicContact CB-CB 3.98Å; H457-R463 PolarHBondContact CE1-NH1 2.93Å; H457-R463 PolarHBondContact N-O 2.99Å; H457-R463 PolarHBondContact ND1-NH1 3.38Å; S458-R463 PolarHBondContact N-O 3.48Å; S458-R463 PolarHBondContact O-N 2.79Å; S458-R463 WeakPolarHBondContact OG-CB 3.46Å; S458-R463 WeakPolarHBondContact OG-CG 3.42Å; P461-R463 PolarHBondContact O-N 2.6Å; R463-Y465 HydrophobicContact CB-CE2 4.43Å; R463-Y465 PolarHBondContact NE-OH 2.92Å; R463-Y465 PolarHBondContact NH2-OH 3.47Å; R463-D612 IonicContact CZ-OD1 3.77Å; R463-D612 IonicContact NH1-OD1 3.25Å; R463-D612 PolarHBondContact NH1-OD1 2.89Å; R463-D612 IonicContact NH2-OD1 3.38Å; R463-D612 PolarHBondContact NH2-OD1 3.42Å; R463-V623 WeakPolarHBondContact CA-O 3.41Å
464L98.4Very high96.7Very high0 Ų022.4 Ų22.40%011%0.114CC..EExtended strand (participates in β ladder)trans-132129.8-174.8-175.965.7000110L454 L456 F538 I622 V623L454-L464 HydrophobicContact CB-CD1 4.28Å; L456-L464 HydrophobicContact CB-CD1 4.22Å; L456-L464 HydrophobicContact CD1-CD1 4.21Å; L464-F538 HydrophobicContact CD1-CD2 4.39Å; L464-F538 HydrophobicContact CD1-CG 4.47Å; L464-F538 HydrophobicContact CD2-CB 3.89Å; L464-F538 HydrophobicContact CD2-CD2 3.57Å; L464-F538 HydrophobicContact CD2-CE2 4.31Å; L464-F538 HydrophobicContact CD2-CG 3.8Å; L464-I622 HydrophobicContact CB-CG1 4.08Å; L464-I622 HydrophobicContact CD2-CD1 3.51Å; L464-I622 HydrophobicContact CD2-CG1 3.98Å; L464-I622 HydrophobicContact CG-CD1 3.87Å; L464-I622 HydrophobicContact CG-CG1 3.89Å; L464-I622 WeakPolarHBondContact O-CG1 3.3Å; L464-I622 PolarHBondContact O-N 3.21Å; L464-V623 HydrophobicContact CB-CB 4.31Å; L464-V623 HydrophobicContact CB-CG2 4.38Å; L464-V623 PolarHBondContact N-O 2.77Å; L464-V623 PolarHBondContact O-N 3.11Å
465Y98.5Very high96.6Very high5 Ų522.4 Ų22.42%0.0211%0.114CC..EExtended strand (participates in β ladder)trans-116.4149.4176.5-55.1-101.2000110.3L454 M455 H457 R463 T608 P614 V619 T620 Q621L454-Y465 CarbonylContact C-O 3.57Å; L454-Y465 WeakPolarHBondContact CA-O 3.31Å; M455-Y465 PolarHBondContact N-O 3.15Å; M455-Y465 PolarHBondContact O-N 3.1Å; H457-Y465 HydrophobicContact CB-CD2 4.34Å; H457-Y465 HydrophobicContact CB-CE2 3.94Å; R463-Y465 HydrophobicContact CB-CE2 4.43Å; R463-Y465 PolarHBondContact NE-OH 2.92Å; R463-Y465 PolarHBondContact NH2-OH 3.47Å; Y465-T608 HydrophobicContact CD1-CG2 4.26Å; Y465-T608 HydrophobicContact CD2-CG2 4.13Å; Y465-T608 HydrophobicContact CG-CG2 4.03Å; Y465-P614 HydrophobicContact CD1-CB 4.49Å; Y465-P614 HydrophobicContact CE1-CB 4.09Å; Y465-P614 HydrophobicContact CE1-CG 4.22Å; Y465-V619 HydrophobicContact CD1-CG2 4.36Å; Y465-T620 CarbonylContact C-O 3.53Å; Y465-T620 VanDerWaalsContact CA-O 3.31Å; Y465-T620 WeakPolarHBondContact CA-O 3.34Å; Y465-Q621 HydrophobicContact CD1-CB 3.63Å; Y465-Q621 HydrophobicContact CD1-CG 3.98Å; Y465-Q621 HydrophobicContact CE1-CB 3.51Å; Y465-Q621 HydrophobicContact CE1-CG 3.64Å; Y465-Q621 PolarHBondContact OH-OE1 2.9Å
466V98.3Very high96.5Very high0 Ų023.3 Ų23.30%012%0.119CC..EExtended strand (participates in β ladder)trans-112.5136.3171-172.50000108.2Y452 L454 F531 F534 V619 T620 I622Y452-V466 HydrophobicContact CD1-CG1 3.52Å; Y452-V466 HydrophobicContact CE1-CG1 4.19Å; Y452-V466 HydrophobicContact CG-CG1 4.31Å; L454-V466 HydrophobicContact CD2-CB 4.29Å; L454-V466 HydrophobicContact CD2-CG1 4.08Å; L454-V466 HydrophobicContact CD2-CG2 3.71Å; V466-F531 HydrophobicContact CB-CE1 4.08Å; V466-F531 HydrophobicContact CB-CZ 4.13Å; V466-F531 HydrophobicContact CG1-CD1 4.28Å; V466-F531 HydrophobicContact CG1-CE1 3.56Å; V466-F531 HydrophobicContact CG1-CZ 3.87Å; V466-F531 HydrophobicContact CG2-CD1 4.07Å; V466-F531 HydrophobicContact CG2-CE1 4.12Å; V466-F531 HydrophobicContact CG2-CG 4.42Å; V466-F531 HydrophobicContact CG2-CZ 4.47Å; V466-F534 HydrophobicContact CG2-CD2 4.17Å; V466-V619 CarbonylContact O-C 3.44Å; V466-V619 VanDerWaalsContact O-CA 3.25Å; V466-V619 WeakPolarHBondContact O-CA 3.3Å; V466-T620 PolarHBondContact N-O 3.34Å; V466-T620 PolarHBondContact O-N 3.32Å; V466-I622 HydrophobicContact CG2-CB 4.43Å; V466-I622 HydrophobicContact CG2-CD1 3.51Å; V466-I622 HydrophobicContact CG2-CG1 3.9Å; V466-I622 HydrophobicContact CG2-CG2 3.67Å
467Y97.7Very high96.4Very high3 Ų327 Ų271%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-74.8130.7169.6-160.5-121.7000109.4M453 V469 W471 F601 H604 M605 P618 V619M453-Y467 PolarHBondContact O-N 2.84Å; Y467-V469 HydrophobicContact CD1-CB 3.61Å; Y467-V469 HydrophobicContact CD1-CG2 4.15Å; Y467-V469 HydrophobicContact CE1-CB 3.53Å; Y467-V469 HydrophobicContact CE1-CG1 4.4Å; Y467-V469 HydrophobicContact CE1-CG2 3.69Å; Y467-V469 PolarHBondContact O-N 3.16Å; Y467-V469 VanDerWaalsContact O-N 3.14Å; Y467-W471 AromaticContact CD1-CH2 3.94Å; Y467-W471 HydrophobicContact CD1-CH2 3.94Å; Y467-W471 HydrophobicContact CD1-CZ3 4.25Å; Y467-W471 HydrophobicContact CE1-CH2 4.02Å; Y467-F601 HydrophobicContact CD1-CD2 4.26Å; Y467-F601 HydrophobicContact CD1-CE2 4.23Å; Y467-F601 AromaticContact CE1-CD2 3.78Å; Y467-F601 HydrophobicContact CE1-CD2 3.78Å; Y467-F601 HydrophobicContact CE1-CE2 4.21Å; Y467-H604 HydrophobicContact CE2-CB 3.84Å; Y467-H604 AromaticContact CE2-ND1 3.75Å; Y467-H604 AromaticContact CZ-ND1 3.78Å; Y467-H604 PolarHBondContact OH-ND1 3.17Å; Y467-M605 HydrophobicContact CD1-CE 4.25Å; Y467-M605 HydrophobicContact CD2-CE 3.18Å; Y467-M605 HydrophobicContact CE2-CE 3.62Å; Y467-M605 HydrophobicContact CG-CE 3.57Å; Y467-P618 HydrophobicContact CD2-CG 4.32Å; Y467-P618 WeakPolarHBondContact CD2-O 3.48Å; Y467-P618 HydrophobicContact CE2-CG 3.51Å; Y467-V619 HydrophobicContact CD2-CG1 3.86Å; Y467-V619 HydrophobicContact CE2-CG1 4.48Å
468N96.7Very high96.5Very high54 Ų5429.6 Ų29.629%0.28915%0.152SC..EExtended strand (participates in β ladder)trans-72.6-5.8-174.6-62.2-14.7000113.1P618 V619 T620N468-P618 HydrophobicContact CB-CB 4.33Å; N468-P618 WeakPolarHBondContact CB-O 3.39Å; N468-P618 PolarHBondContact N-O 3.4Å; N468-P618 VanDerWaalsContact ND2-C 3.3Å; N468-V619 PolarHBondContact ND2-N 3.3Å; N468-T620 PolarHBondContact OD1-N 3.02Å; N468-T620 PolarHBondContact OD1-OG1 3.04Å
469V96.1Very high96.6Very high4 Ų430.4 Ų30.42%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-100.2132170.8179.30000108.6Y467 W471 Y507 H598Y467-V469 HydrophobicContact CD1-CB 3.61Å; Y467-V469 HydrophobicContact CD1-CG2 4.15Å; Y467-V469 HydrophobicContact CE1-CB 3.53Å; Y467-V469 HydrophobicContact CE1-CG1 4.4Å; Y467-V469 HydrophobicContact CE1-CG2 3.69Å; Y467-V469 PolarHBondContact O-N 3.16Å; Y467-V469 VanDerWaalsContact O-N 3.14Å; V469-W471 HydrophobicContact CB-CH2 4.3Å; V469-W471 HydrophobicContact CG1-CH2 3.91Å; V469-W471 HydrophobicContact CG1-CZ2 3.95Å; V469-W471 HydrophobicContact CG1-CZ3 4.28Å; V469-W471 VanDerWaalsContact O-CZ3 3.3Å; V469-W471 WeakPolarHBondContact O-CZ3 3.12Å; V469-Y507 HydrophobicContact CB-CD1 4.26Å; V469-Y507 HydrophobicContact CB-CE1 4.21Å; V469-Y507 HydrophobicContact CG1-CD1 3.7Å; V469-Y507 HydrophobicContact CG1-CE1 3.95Å; V469-Y507 HydrophobicContact CG1-CG 4.44Å; V469-Y507 HydrophobicContact CG2-CD1 4.29Å; V469-Y507 HydrophobicContact CG2-CE1 3.74Å; V469-H598 WeakPolarHBondContact CG1-NE2 3.5Å
470F96.8Very high96.7Very high4 Ų432 Ų322%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-122.7158.6172.857.1-95000111.3I450 R451 Y452 L472 Y507 F510 I511 W523I450-F470 HydrophobicContact CG2-CB 3.96Å; I450-F470 HydrophobicContact CG2-CD2 3.63Å; I450-F470 HydrophobicContact CG2-CE2 4.35Å; I450-F470 HydrophobicContact CG2-CG 3.97Å; R451-F470 CarbonylContact O-C 2.73Å; R451-F470 VanDerWaalsContact O-CA 3.3Å; R451-F470 WeakPolarHBondContact O-CA 3.34Å; R451-F470 WeakPolarHBondContact O-CB 3.26Å; Y452-F470 HydrophobicContact CD1-CB 3.92Å; Y452-F470 HydrophobicContact CD2-CB 3.99Å; Y452-F470 HydrophobicContact CE1-CB 3.86Å; Y452-F470 AromaticContact CE1-CD1 3.7Å; Y452-F470 HydrophobicContact CE1-CD1 3.7Å; Y452-F470 HydrophobicContact CE1-CG 4.15Å; Y452-F470 HydrophobicContact CE2-CB 3.9Å; Y452-F470 HydrophobicContact CE2-CD1 4.14Å; Y452-F470 HydrophobicContact CE2-CG 4.05Å; Y452-F470 HydrophobicContact CG-CB 4.01Å; Y452-F470 AromaticContact CZ-CD1 3.44Å; Y452-F470 VanDerWaalsContact CZ-CD1 3.44Å; Y452-F470 AromaticContact CZ-CG 3.81Å; Y452-F470 VanDerWaalsContact OH-CD1 3.27Å; Y452-F470 WeakPolarHBondContact OH-CD1 3.47Å; F470-L472 HydrophobicContact CD2-CD2 4.5Å; F470-L472 HydrophobicContact CD2-CG 4.25Å; F470-L472 HydrophobicContact CE2-CD1 4.18Å; F470-L472 HydrophobicContact CE2-CD2 4.27Å; F470-L472 HydrophobicContact CE2-CG 4.17Å; F470-Y507 HydrophobicContact CE1-CD2 4.18Å; F470-Y507 HydrophobicContact CE1-CG 4.41Å; F470-F510 AromaticContact CE2-CD1 3.83Å; F470-F510 HydrophobicContact CE2-CD1 3.83Å; F470-F510 HydrophobicContact CE2-CE1 4.27Å; F470-F510 AromaticContact CZ-CD1 4Å; F470-F510 HydrophobicContact CZ-CD1 4Å; F470-F510 HydrophobicContact CZ-CE1 4.48Å; F470-I511 HydrophobicContact CE1-CD1 4.27Å; F470-I511 HydrophobicContact CZ-CD1 4.26Å; F470-I511 HydrophobicContact CZ-CG1 4.09Å; F470-W523 HydrophobicContact CD1-CZ2 4.5Å; F470-W523 AromaticContact CE1-CE2 3.81Å; F470-W523 AromaticContact CE1-CZ2 3.79Å; F470-W523 HydrophobicContact CE1-CZ2 3.79Å; F470-W523 AromaticContact CE1-NE1 3.43Å; F470-W523 AromaticContact CE2-CZ2 3.92Å; F470-W523 HydrophobicContact CE2-CZ2 3.92Å; F470-W523 AromaticContact CZ-CE2 3.58Å; F470-W523 HydrophobicContact CZ-CH2 4.37Å; F470-W523 AromaticContact CZ-CZ2 3.44Å; F470-W523 HydrophobicContact CZ-CZ2 3.44Å; F470-W523 VanDerWaalsContact CZ-CZ2 3.44Å; F470-W523 AromaticContact CZ-NE1 3.62Å
471W95.9Very high96.8Very high15 Ų1528.4 Ų28.46%0.05715%0.151CC..EExtended strand (participates in β ladder)trans-112.3134.1-179.6-70.1-97.7000110.6R451 M453 Y467 V469 A594 H598 F601R451-W471 HydrophobicContact CB-CB 4.3Å; R451-W471 PolarHBondContact N-O 3.36Å; R451-W471 PolarHBondContact O-N 3.41Å; M453-W471 HydrophobicContact CE-CE3 4.41Å; M453-W471 HydrophobicContact CE-CZ3 4.28Å; M453-W471 HydrophobicContact CG-CE3 4.33Å; M453-W471 HydrophobicContact CG-CH2 4.3Å; M453-W471 HydrophobicContact CG-CZ3 3.6Å; Y467-W471 AromaticContact CD1-CH2 3.94Å; Y467-W471 HydrophobicContact CD1-CH2 3.94Å; Y467-W471 HydrophobicContact CD1-CZ3 4.25Å; Y467-W471 HydrophobicContact CE1-CH2 4.02Å; V469-W471 HydrophobicContact CB-CH2 4.3Å; V469-W471 HydrophobicContact CG1-CH2 3.91Å; V469-W471 HydrophobicContact CG1-CZ2 3.95Å; V469-W471 HydrophobicContact CG1-CZ3 4.28Å; V469-W471 VanDerWaalsContact O-CZ3 3.3Å; V469-W471 WeakPolarHBondContact O-CZ3 3.12Å; W471-A594 HydrophobicContact CH2-CB 3.97Å; W471-A594 HydrophobicContact CZ2-CB 3.43Å; W471-A594 VanDerWaalsContact CZ2-CB 3.43Å; W471-H598 AromaticContact CZ2-CD2 3.93Å; W471-F601 HydrophobicContact CH2-CD2 4.13Å; W471-F601 HydrophobicContact CH2-CE2 4Å
472L95.9Very high96.8Very high0 Ų026.4 Ų26.40%014%0.135CC..EExtended strand (participates in β ladder)trans-99147.7176.3-64.8149.3000110.4F448 I450 F470 F474 V505 F510 R593F448-L472 HydrophobicContact CD2-CD2 3.9Å; F448-L472 HydrophobicContact CE2-CD2 4.3Å; I450-L472 HydrophobicContact CG1-CD2 3.82Å; F470-L472 HydrophobicContact CD2-CD2 4.5Å; F470-L472 HydrophobicContact CD2-CG 4.25Å; F470-L472 HydrophobicContact CE2-CD1 4.18Å; F470-L472 HydrophobicContact CE2-CD2 4.27Å; F470-L472 HydrophobicContact CE2-CG 4.17Å; L472-F474 HydrophobicContact CB-CD2 4.37Å; L472-F474 HydrophobicContact CB-CE2 3.53Å; L472-F474 HydrophobicContact CB-CZ 3.82Å; L472-F474 HydrophobicContact CD1-CE2 4.45Å; L472-F474 HydrophobicContact CD1-CZ 4.19Å; L472-F474 HydrophobicContact CD2-CZ 4.4Å; L472-F474 HydrophobicContact CG-CZ 4.37Å; L472-V505 HydrophobicContact CD1-CB 4.43Å; L472-V505 HydrophobicContact CD1-CG1 4.46Å; L472-F510 HydrophobicContact CD1-CB 3.23Å; L472-F510 HydrophobicContact CD1-CD1 3.89Å; L472-F510 HydrophobicContact CD1-CD2 3.42Å; L472-F510 VanDerWaalsContact CD1-CD2 3.42Å; L472-F510 HydrophobicContact CD1-CE2 4.18Å; L472-F510 HydrophobicContact CD1-CG 3.23Å; L472-F510 HydrophobicContact CD2-CD1 4.27Å; L472-F510 HydrophobicContact CD2-CD2 3.96Å; L472-F510 HydrophobicContact CD2-CE1 4.17Å; L472-F510 HydrophobicContact CD2-CE2 3.83Å; L472-F510 HydrophobicContact CD2-CG 4.16Å; L472-F510 HydrophobicContact CD2-CZ 3.95Å; L472-F510 HydrophobicContact CG-CD2 4.32Å; L472-F510 HydrophobicContact CG-CG 4.3Å; L472-R593 PolarHBondContact O-NH2 2.85Å
473R95.4Very high96.5Very high13 Ų1329.4 Ų29.45%0.04915%0.148CC..EExtended strand (participates in β ladder)trans-137.1124176.5-75.7178-67.1-174.1-8.2107.9F448 D449 R451 T492 D563F448-R473 CarbonylContact C-O 3.55Å; F448-R473 WeakPolarHBondContact CA-O 3.29Å; F448-R473 WeakPolarHBondContact CB-O 3.49Å; D449-R473 VanDerWaalsContact CG-NE 3.29Å; D449-R473 PolarHBondContact N-O 3.35Å; D449-R473 PolarHBondContact O-N 3.17Å; D449-R473 VanDerWaalsContact O-N 3.15Å; D449-R473 VanDerWaalsContact OD1-CB 3.25Å; D449-R473 WeakPolarHBondContact OD1-CB 3.33Å; D449-R473 IonicContact OD1-CZ 3.13Å; D449-R473 IonicContact OD1-NE 2.82Å; D449-R473 PolarHBondContact OD1-NE 2.81Å; D449-R473 IonicContact OD1-NH2 2.72Å; D449-R473 IonicContact OD2-CZ 3.12Å; D449-R473 IonicContact OD2-NE 3.86Å; D449-R473 PolarHBondContact OD2-NE 3.1Å; D449-R473 IonicContact OD2-NH2 3.21Å; D449-R473 PolarHBondContact OD2-NH2 2.93Å; R451-R473 VanDerWaalsContact CZ-NH1 3.31Å; R473-T492 WeakPolarHBondContact CB-O 3.34Å; R473-T492 WeakPolarHBondContact O-CB 3.42Å; R473-D563 IonicContact CZ-OD1 2.7Å; R473-D563 IonicContact CZ-OD2 3.22Å; R473-D563 VanDerWaalsContact CZ-OD2 3.31Å; R473-D563 IonicContact NH1-OD1 3.26Å; R473-D563 IonicContact NH1-OD2 3.43Å; R473-D563 PolarHBondContact NH1-OD2 3.29Å; R473-D563 IonicContact NH2-OD1 3.97Å; R473-D563 PolarHBondContact NH2-OD1 3.23Å; R473-D563 IonicContact NH2-OD2 3.44Å; R473-D563 PolarHBondContact NH2-OD2 3.21Å
474F96.3Very high96.3Very high5 Ų528.3 Ų28.32%0.02215%0.145CC..EExtended strand (participates in β ladder)trans-114.3141-172.6-63.3-86.9000110.9F439 V446 F448 L472 K503 V505 F510F439-F474 HydrophobicContact CB-CD1 4.3Å; F439-F474 HydrophobicContact CB-CE1 3.9Å; F439-F474 HydrophobicContact CD1-CD1 4.16Å; F439-F474 AromaticContact CD1-CE1 3.5Å; F439-F474 HydrophobicContact CD1-CE1 3.5Å; F439-F474 HydrophobicContact CD1-CZ 4.23Å; F439-F474 HydrophobicContact CD2-CE1 4.47Å; F439-F474 HydrophobicContact CE1-CE1 4.09Å; F439-F474 HydrophobicContact CE1-CZ 4.37Å; F439-F474 HydrophobicContact CG-CD1 4.47Å; F439-F474 AromaticContact CG-CE1 3.71Å; F439-F474 HydrophobicContact CG-CE1 3.71Å; V446-F474 HydrophobicContact CG2-CB 4.46Å; V446-F474 HydrophobicContact CG2-CD1 4.19Å; F448-F474 HydrophobicContact CB-CD1 3.46Å; F448-F474 VanDerWaalsContact CB-CD1 3.46Å; F448-F474 HydrophobicContact CB-CE1 3.66Å; F448-F474 HydrophobicContact CB-CG 4.24Å; F448-F474 HydrophobicContact CG-CD1 4.36Å; F448-F474 HydrophobicContact CG-CE1 4.12Å; L472-F474 HydrophobicContact CB-CD2 4.37Å; L472-F474 HydrophobicContact CB-CE2 3.53Å; L472-F474 HydrophobicContact CB-CZ 3.82Å; L472-F474 HydrophobicContact CD1-CE2 4.45Å; L472-F474 HydrophobicContact CD1-CZ 4.19Å; L472-F474 HydrophobicContact CD2-CZ 4.4Å; L472-F474 HydrophobicContact CG-CZ 4.37Å; F474-K503 HydrophobicContact CD2-CB 4.36Å; F474-K503 HydrophobicContact CD2-CG 4.32Å; F474-V505 HydrophobicContact CE2-CB 3.89Å; F474-V505 HydrophobicContact CE2-CG2 3.7Å; F474-V505 HydrophobicContact CZ-CB 4.28Å; F474-V505 HydrophobicContact CZ-CG2 4.12Å; F474-F510 HydrophobicContact CZ-CD2 4.32Å
475A96.4Very high95.9Very high0 Ų031.6 Ų31.60%016%0.162CC..  trans-67.2153.8162.600000109.9R441 V446 K447 F491 T492R441-A475 PolarHBondContact NH1-O 3Å; V446-A475 HydrophobicContact CB-CB 4.32Å; K447-A475 HydrophobicContact CB-CB 4.05Å; K447-A475 WeakPolarHBondContact O-CB 3.47Å; K447-A475 PolarHBondContact O-N 3.27Å; A475-F491 WeakPolarHBondContact CB-O 3.5Å; A475-T492 HydrophobicContact CB-CG2 4.44Å
476N95.3Very high95.6Very high19 Ų1932.9 Ų32.910%0.10217%0.17CC..SBendtrans-98.7-10.2-176.4-80.1-18.1000113.9R441 Q488 V500 Q501R441-N476 PolarHBondContact NH1-OD1 3.5Å; R441-N476 VanDerWaalsContact NH1-OD1 3.16Å; N476-Q488 HydrophobicContact CB-CB 4.18Å; N476-Q488 HydrophobicContact CB-CG 4.48Å; N476-Q488 PolarHBondContact N-O 3.24Å; N476-Q488 PolarHBondContact ND2-OE1 3.35Å; N476-V500 VanDerWaalsContact ND2-CG1 3.25Å; N476-V500 WeakPolarHBondContact ND2-CG1 3.32Å; N476-Q501 PolarHBondContact ND2-O 3.21Å; N476-Q501 PolarHBondContact OD1-O 3.05Å
477K96.6Very high95.3Very high78 Ų7836.1 Ų36.134%0.33918%0.182SC..SBendtrans-122.8151.7177-67.2175.3178.6171.20111.3V446 D486 Q488 K489V446-K477 WeakPolarHBondContact CG1-O 3.28Å; K477-D486 WeakPolarHBondContact CD-OD1 3.35Å; K477-D486 WeakPolarHBondContact CD-OD2 3.36Å; K477-D486 WeakPolarHBondContact CE-OD2 3.2Å; K477-D486 IonicContact NZ-OD1 3.36Å; K477-D486 PolarHBondContact NZ-OD1 2.74Å; K477-D486 IonicContact NZ-OD2 2.73Å; K477-D486 PolarHBondContact NZ-OD2 2.79Å; K477-Q488 HydrophobicContact CD-CB 4.11Å; K477-Q488 HydrophobicContact CG-CB 4.25Å; K477-Q488 PolarHBondContact N-O 2.83Å; K477-K489 HydrophobicContact CB-CB 4.14Å
478P97.9Very high95.1Very high60 Ų6038.9 Ų38.939%0.3920%0.196SC..  trans-54138.7174.4-2937.6000112.4V443 M445 K489V443-P478 WeakPolarHBondContact O-CG 3.34Å; M445-P478 CarbonylContact O-C 3.59Å; M445-P478 VanDerWaalsContact O-CA 3.28Å; M445-P478 WeakPolarHBondContact O-CA 3.26Å; P478-K489 WeakPolarHBondContact O-CG 3.17Å
479F98.3Very high95Very high30 Ų3037.1 Ų37.113%0.13219%0.185CC..  trans-76.1135.3178.1179.5-108.6000111.8Y432 P436 L438 M445 K447 L481 H490Y432-F479 HydrophobicContact CE1-CE2 4.13Å; Y432-F479 HydrophobicContact CE1-CZ 4.3Å; P436-F479 VanDerWaalsContact CD-CE1 3.43Å; P436-F479 HydrophobicContact CG-CD1 3.92Å; P436-F479 HydrophobicContact CG-CE1 3.65Å; P436-F479 HydrophobicContact CG-CE2 4.49Å; P436-F479 HydrophobicContact CG-CG 4.44Å; P436-F479 HydrophobicContact CG-CZ 3.94Å; L438-F479 HydrophobicContact CD1-CB 4.16Å; L438-F479 HydrophobicContact CD1-CD1 4.2Å; L438-F479 HydrophobicContact CD2-CB 3.56Å; L438-F479 HydrophobicContact CD2-CD1 3.9Å; L438-F479 HydrophobicContact CD2-CG 3.9Å; M445-F479 PolarHBondContact O-N 2.84Å; K447-F479 HydrophobicContact CD-CD2 3.42Å; K447-F479 VanDerWaalsContact CD-CD2 3.42Å; K447-F479 HydrophobicContact CD-CE2 3.67Å; K447-F479 HydrophobicContact CD-CG 4.27Å; K447-F479 HydrophobicContact CG-CB 4.04Å; K447-F479 HydrophobicContact CG-CD2 3.51Å; K447-F479 HydrophobicContact CG-CE2 4.14Å; K447-F479 HydrophobicContact CG-CG 3.85Å; F479-L481 HydrophobicContact CE1-CD2 4.44Å; F479-L481 HydrophobicContact CZ-CD2 3.77Å; F479-L481 HydrophobicContact CZ-CG 4.35Å; F479-H490 AromaticContact CE2-ND1 3.96Å
480S97.1Very high95Very high46 Ų4637.1 Ų37.132%0.32219%0.185SC..  trans-155.6162.1169.444.20000108.5D482 H490S480-D482 VanDerWaalsContact C-N 3.26Å; S480-D482 WeakPolarHBondContact CB-OD1 3.47Å; S480-D482 PolarHBondContact O-N 2.98Å; S480-D482 PolarHBondContact OG-OD1 2.69Å; S480-H490 PolarHBondContact O-CE1 2.96Å
481L96Very high94.9Very high69 Ų6938.5 Ų38.536%0.36119%0.191SC..SBendtrans-89.756.2-178.5-68.6172.8000111.8Y432 H434 F479 F484Y432-L481 HydrophobicContact CD1-CD2 4.26Å; Y432-L481 HydrophobicContact CE1-CD2 4.08Å; H434-L481 HydrophobicContact CB-CD1 3.98Å; H434-L481 HydrophobicContact CB-CD2 4.04Å; F479-L481 HydrophobicContact CE1-CD2 4.44Å; F479-L481 HydrophobicContact CZ-CD2 3.77Å; F479-L481 HydrophobicContact CZ-CG 4.35Å; L481-F484 HydrophobicContact CB-CZ 4.36Å; L481-F484 HydrophobicContact CD2-CE1 4.42Å; L481-F484 HydrophobicContact CD2-CZ 4.5Å
482D93.3Very high94.8Very high59 Ų5938.5 Ų38.532%0.31619%0.193SC..SBendtrans-153.6159.6-176.371.8-31.2000111.2S480 K489 H490S480-D482 VanDerWaalsContact C-N 3.26Å; S480-D482 WeakPolarHBondContact CB-OD1 3.47Å; S480-D482 PolarHBondContact O-N 2.98Å; S480-D482 PolarHBondContact OG-OD1 2.69Å; D482-K489 WeakPolarHBondContact O-CD 3.38Å; D482-K489 PolarHBondContact O-NZ 2.93Å; D482-K489 IonicContact OD1-NZ 2.86Å; D482-K489 PolarHBondContact OD1-NZ 3.15Å; D482-K489 IonicContact OD2-NZ 3.89Å; D482-H490 PolarHBondContact O-NE2 2.76Å; D482-H490 VanDerWaalsContact O-NE2 3.1Å
483H91.6Very high94.4Very high88 Ų8839.7 Ų39.741%0.40720%0.2SC..  trans5259.2-179.5-56.884.4000112.1D485 D486 H490H483-D485 PolarHBondContact O-N 3.2Å; H483-D485 VanDerWaalsContact O-N 3.08Å; H483-D486 HydrophobicContact CB-CB 4.36Å; H483-D486 VanDerWaalsContact O-CB 3.3Å; H483-D486 WeakPolarHBondContact O-CB 3.4Å; H483-D486 PolarHBondContact O-N 3.19Å; H483-H490 PolarHBondContact O-CD2 3.32Å; H483-H490 PolarHBondContact O-NE2 3.25Å
484F93.4Very high94Very high42 Ų4239.2 Ų39.218%0.18420%0.198CC..THydrogen-bonded Turntrans-62.6-15.7-175.4-68.8-60.9000114.7H395 I411 Y432 L481 H490H395-F484 AromaticContact CD2-CE2 3.46Å; H395-F484 VanDerWaalsContact CD2-CE2 3.46Å; H395-F484 WeakPolarHBondContact CD2-CE2 3.36Å; H395-F484 AromaticContact CD2-CZ 3.19Å; H395-F484 WeakPolarHBondContact CD2-CZ 3.34Å; H395-F484 AromaticContact NE2-CE2 3.58Å; H395-F484 AromaticContact NE2-CZ 3.45Å; H395-F484 WeakPolarHBondContact NE2-CZ 3.44Å; I411-F484 HydrophobicContact CB-CB 4.03Å; I411-F484 HydrophobicContact CB-CD1 3.99Å; I411-F484 HydrophobicContact CB-CG 4.21Å; I411-F484 HydrophobicContact CG2-CB 4.25Å; I411-F484 HydrophobicContact CG2-CD1 3.31Å; I411-F484 HydrophobicContact CG2-CE1 3.8Å; I411-F484 HydrophobicContact CG2-CG 3.85Å; I411-F484 VanDerWaalsContact O-CB 3.31Å; I411-F484 WeakPolarHBondContact O-CB 3.35Å; Y432-F484 HydrophobicContact CD1-CE1 4.46Å; Y432-F484 HydrophobicContact CE1-CE1 4.08Å; L481-F484 HydrophobicContact CB-CZ 4.36Å; L481-F484 HydrophobicContact CD2-CE1 4.42Å; L481-F484 HydrophobicContact CD2-CZ 4.5Å; F484-H490 VanDerWaalsContact CA-CD2 3.49Å; F484-H490 WeakPolarHBondContact CA-CD2 3.49Å; F484-H490 WeakPolarHBondContact CA-NE2 3.42Å; F484-H490 AromaticContact CD1-CE1 3.68Å; F484-H490 AromaticContact CD1-NE2 3.48Å; F484-H490 WeakPolarHBondContact CD1-NE2 3.45Å; F484-H490 AromaticContact CE1-CE1 3.89Å
485D90.4Very high93.2Very high69 Ų6941.9 Ų41.937%0.36921%0.213SC..THydrogen-bonded Turntrans-76.7-13.9170.852.8-68.6000114R112 H483 Y487R112-D485 VanDerWaalsContact CD-OD2 3.24Å; R112-D485 WeakPolarHBondContact CD-OD2 3.38Å; R112-D485 IonicContact CZ-OD1 3.63Å; R112-D485 IonicContact CZ-OD2 2.74Å; R112-D485 VanDerWaalsContact NE-CG 3.33Å; R112-D485 IonicContact NE-OD1 2.86Å; R112-D485 PolarHBondContact NE-OD1 2.82Å; R112-D485 IonicContact NE-OD2 3.55Å; R112-D485 PolarHBondContact NE-OD2 2.85Å; R112-D485 IonicContact NH2-OD1 3.71Å; R112-D485 PolarHBondContact NH2-OD1 2.64Å; H483-D485 PolarHBondContact O-N 3.2Å; H483-D485 VanDerWaalsContact O-N 3.08Å; D485-Y487 PolarHBondContact O-N 3.48Å
486D92.4Very high92Very high32 Ų3247 Ų4717%0.17123%0.233CC..  trans-76.493.6176.7-170.1-12.2000111.6K477 H483 Q488 K489 H490K477-D486 WeakPolarHBondContact CD-OD1 3.35Å; K477-D486 WeakPolarHBondContact CD-OD2 3.36Å; K477-D486 WeakPolarHBondContact CE-OD2 3.2Å; K477-D486 IonicContact NZ-OD1 3.36Å; K477-D486 PolarHBondContact NZ-OD1 2.74Å; K477-D486 IonicContact NZ-OD2 2.73Å; K477-D486 PolarHBondContact NZ-OD2 2.79Å; H483-D486 HydrophobicContact CB-CB 4.36Å; H483-D486 VanDerWaalsContact O-CB 3.3Å; H483-D486 WeakPolarHBondContact O-CB 3.4Å; H483-D486 PolarHBondContact O-N 3.19Å; D486-Q488 VanDerWaalsContact C-N 3.26Å; D486-Q488 PolarHBondContact O-N 3.08Å; D486-Q488 PolarHBondContact OD1-N 3.25Å; D486-K489 HydrophobicContact CB-CB 3.95Å; D486-K489 WeakPolarHBondContact O-CB 3.28Å; D486-K489 PolarHBondContact O-N 3.4Å; D486-H490 PolarHBondContact O-N 2.82Å
487Y91.6Very high90.8Very high68 Ų6847.9 Ų47.927%0.26724%0.242SC..Hα-helixtrans-51.3-45.2-179.3-174.8-92.4000112.8D485 K489 H490 F491 V493 M494D485-Y487 PolarHBondContact O-N 3.48Å; Y487-K489 PolarHBondContact O-N 3.16Å; Y487-H490 PolarHBondContact O-N 2.82Å; Y487-F491 HydrophobicContact CD1-CB 4.35Å; Y487-F491 HydrophobicContact CD2-CB 3.99Å; Y487-F491 AromaticContact CD2-CD2 3.58Å; Y487-F491 HydrophobicContact CD2-CD2 3.58Å; Y487-F491 HydrophobicContact CD2-CE2 4.18Å; Y487-F491 AromaticContact CD2-CG 3.82Å; Y487-F491 HydrophobicContact CD2-CG 3.82Å; Y487-F491 HydrophobicContact CE1-CB 4.08Å; Y487-F491 HydrophobicContact CE2-CB 3.72Å; Y487-F491 HydrophobicContact CE2-CD1 4.15Å; Y487-F491 AromaticContact CE2-CD2 3.93Å; Y487-F491 HydrophobicContact CE2-CD2 3.93Å; Y487-F491 AromaticContact CE2-CG 3.67Å; Y487-F491 HydrophobicContact CE2-CG 3.67Å; Y487-F491 HydrophobicContact CG-CB 4.31Å; Y487-F491 HydrophobicContact CG-CD2 4.19Å; Y487-F491 HydrophobicContact CG-CG 4.5Å; Y487-F491 WeakPolarHBondContact O-CB 3.43Å; Y487-F491 PolarHBondContact O-N 2.87Å; Y487-V493 PolarHBondContact OH-O 3.18Å; Y487-M494 HydrophobicContact CD1-SD 4.34Å; Y487-M494 HydrophobicContact CE1-CE 4.45Å; Y487-M494 HydrophobicContact CE1-SD 4.08Å
488Q93.4Very high89.4Confident62 Ų6253.6 Ų53.629%0.2927%0.27SS..Hα-helixtrans-71.2-13-175.3-72.4-170.574.800113.9N476 K477 D486 M494 V500N476-Q488 HydrophobicContact CB-CB 4.18Å; N476-Q488 HydrophobicContact CB-CG 4.48Å; N476-Q488 PolarHBondContact N-O 3.24Å; N476-Q488 PolarHBondContact ND2-OE1 3.35Å; K477-Q488 HydrophobicContact CD-CB 4.11Å; K477-Q488 HydrophobicContact CG-CB 4.25Å; K477-Q488 PolarHBondContact N-O 2.83Å; D486-Q488 VanDerWaalsContact C-N 3.26Å; D486-Q488 PolarHBondContact O-N 3.08Å; D486-Q488 PolarHBondContact OD1-N 3.25Å; Q488-M494 HydrophobicContact CB-CE 4.43Å; Q488-M494 HydrophobicContact CG-CE 4.45Å; Q488-M494 HydrophobicContact CG-SD 4.24Å; Q488-V500 HydrophobicContact CG-CG1 4.18Å
489K95.1Very high88.2Confident17 Ų1754.9 Ų54.97%0.07430%0.295CS..Hα-helixtrans-89.8-42.8174.6-178.5-175.2-68178.70112K477 P478 D482 D486 Y487K477-K489 HydrophobicContact CB-CB 4.14Å; P478-K489 WeakPolarHBondContact O-CG 3.17Å; D482-K489 WeakPolarHBondContact O-CD 3.38Å; D482-K489 PolarHBondContact O-NZ 2.93Å; D482-K489 IonicContact OD1-NZ 2.86Å; D482-K489 PolarHBondContact OD1-NZ 3.15Å; D482-K489 IonicContact OD2-NZ 3.89Å; D486-K489 HydrophobicContact CB-CB 3.95Å; D486-K489 WeakPolarHBondContact O-CB 3.28Å; D486-K489 PolarHBondContact O-N 3.4Å; Y487-K489 PolarHBondContact O-N 3.16Å
490H95.8Very high87.3Confident4 Ų455 Ų552%0.01930%0.298CS..Hα-helixtrans-103.9-23.4-167.2-65.8-56.4000115.1I411 Y432 K447 F479 S480 D482 H483 F484 D486 Y487I411-H490 HydrophobicContact CD1-CB 3.59Å; Y432-H490 AromaticContact CZ-ND1 3.97Å; Y432-H490 PolarHBondContact OH-ND1 3.23Å; K447-H490 PolarHBondContact NZ-O 3.34Å; F479-H490 AromaticContact CE2-ND1 3.96Å; S480-H490 PolarHBondContact O-CE1 2.96Å; D482-H490 PolarHBondContact O-NE2 2.76Å; D482-H490 VanDerWaalsContact O-NE2 3.1Å; H483-H490 PolarHBondContact O-CD2 3.32Å; H483-H490 PolarHBondContact O-NE2 3.25Å; F484-H490 VanDerWaalsContact CA-CD2 3.49Å; F484-H490 WeakPolarHBondContact CA-CD2 3.49Å; F484-H490 WeakPolarHBondContact CA-NE2 3.42Å; F484-H490 AromaticContact CD1-CE1 3.68Å; F484-H490 AromaticContact CD1-NE2 3.48Å; F484-H490 WeakPolarHBondContact CD1-NE2 3.45Å; F484-H490 AromaticContact CE1-CE1 3.89Å; D486-H490 PolarHBondContact O-N 2.82Å; Y487-H490 PolarHBondContact O-N 2.82Å
491F94.3Very high86.6Confident32 Ų3259.8 Ų59.814%0.1432%0.315CS..  trans-105.9159.6175.8-61.8-96.9000110.2T409 I411 A475 Y487 M494T409-F491 HydrophobicContact CG2-CE1 3.7Å; T409-F491 HydrophobicContact CG2-CZ 3.72Å; I411-F491 HydrophobicContact CD1-CE2 3.99Å; I411-F491 HydrophobicContact CD1-CZ 4.15Å; A475-F491 WeakPolarHBondContact CB-O 3.5Å; Y487-F491 HydrophobicContact CD1-CB 4.35Å; Y487-F491 HydrophobicContact CD2-CB 3.99Å; Y487-F491 AromaticContact CD2-CD2 3.58Å; Y487-F491 HydrophobicContact CD2-CD2 3.58Å; Y487-F491 HydrophobicContact CD2-CE2 4.18Å; Y487-F491 AromaticContact CD2-CG 3.82Å; Y487-F491 HydrophobicContact CD2-CG 3.82Å; Y487-F491 HydrophobicContact CE1-CB 4.08Å; Y487-F491 HydrophobicContact CE2-CB 3.72Å; Y487-F491 HydrophobicContact CE2-CD1 4.15Å; Y487-F491 AromaticContact CE2-CD2 3.93Å; Y487-F491 HydrophobicContact CE2-CD2 3.93Å; Y487-F491 AromaticContact CE2-CG 3.67Å; Y487-F491 HydrophobicContact CE2-CG 3.67Å; Y487-F491 HydrophobicContact CG-CB 4.31Å; Y487-F491 HydrophobicContact CG-CD2 4.19Å; Y487-F491 HydrophobicContact CG-CG 4.5Å; Y487-F491 WeakPolarHBondContact O-CB 3.43Å; Y487-F491 PolarHBondContact O-N 2.87Å; F491-M494 WeakPolarHBondContact O-CE 3.35Å
492T93.6Very high86.1Confident16 Ų1659.3 Ų59.310%0.09831%0.313CS..  trans-119.4-10-17243.90000112.2K447 D449 R473 A475 M494K447-T492 HydrophobicContact CB-CG2 4.18Å; D449-T492 WeakPolarHBondContact OD1-CB 3.27Å; D449-T492 PolarHBondContact OD1-OG1 2.97Å; R473-T492 WeakPolarHBondContact CB-O 3.34Å; R473-T492 WeakPolarHBondContact O-CB 3.42Å; A475-T492 HydrophobicContact CB-CG2 4.44Å; T492-M494 PolarHBondContact O-N 2.81Å
493V88.5Confident85.9Confident24 Ų2459.5 Ų59.515%0.14531%0.311CS..  trans-87.386.5-176.8-174.40000109.8Y487 N495 Y496Y487-V493 PolarHBondContact OH-O 3.18Å; V493-N495 WeakPolarHBondContact CG1-OD1 3.32Å; V493-Y496 HydrophobicContact CG1-CD2 3.6Å; V493-Y496 HydrophobicContact CG1-CE2 3.81Å
494M87.6Confident85.9Confident3 Ų357.4 Ų57.42%0.01530%0.301CS..  trans-92.2-4.2-175.8-59.9-53.1162.700114.7Y487 Q488 F491 T492 Y496 V500 L502Y487-M494 HydrophobicContact CD1-SD 4.34Å; Y487-M494 HydrophobicContact CE1-CE 4.45Å; Y487-M494 HydrophobicContact CE1-SD 4.08Å; Q488-M494 HydrophobicContact CB-CE 4.43Å; Q488-M494 HydrophobicContact CG-CE 4.45Å; Q488-M494 HydrophobicContact CG-SD 4.24Å; F491-M494 WeakPolarHBondContact O-CE 3.35Å; T492-M494 PolarHBondContact O-N 2.81Å; M494-Y496 VanDerWaalsContact C-N 3.34Å; M494-Y496 PolarHBondContact O-N 3.05Å; M494-V500 HydrophobicContact CB-CG1 3.93Å; M494-V500 HydrophobicContact CG-CG1 4.08Å; M494-V500 HydrophobicContact SD-CG1 3.59Å; M494-V500 VanDerWaalsContact SD-CG1 3.59Å; M494-L502 HydrophobicContact CB-CD1 4.44Å
495N77.9Confident85.9Confident61 Ų6155.9 Ų55.933%0.32630%0.295SS..SBendtrans-78.8-9.3-172.759.4-53.6000115.3V493 L502V493-N495 WeakPolarHBondContact CG1-OD1 3.32Å; N495-L502 HydrophobicContact CB-CD1 3.86Å
496Y71.3Confident86.2Confident109 Ų10954.8 Ų54.843%0.42729%0.288SS..SBendtrans-113.3-11.3-177.2-58.8-64.8000114.1R405 V493 M494R405-Y496 HydrophobicContact CB-CD2 4.39Å; R405-Y496 HydrophobicContact CG-CD2 3.93Å; R405-Y496 HydrophobicContact CG-CE2 3.9Å; V493-Y496 HydrophobicContact CG1-CD2 3.6Å; V493-Y496 HydrophobicContact CG1-CE2 3.81Å; M494-Y496 VanDerWaalsContact C-N 3.34Å; M494-Y496 PolarHBondContact O-N 3.05Å
497A70.4Confident86.4Confident36 Ų3656.4 Ų56.430%0.29829%0.292SS..SBendtrans-88.5124.2-179.600000110G499 V500A497-G499 PolarHBondContact O-N 2.82Å; A497-V500 HydrophobicContact CB-CB 3.9Å; A497-V500 HydrophobicContact CB-CG2 3.45Å; A497-V500 VanDerWaalsContact CB-CG2 3.45Å; A497-V500 PolarHBondContact O-N 3Å
498E68.3Low86.7Confident198 Ų19857.6 Ų57.693%0.92530%0.303SS*.THydrogen-bonded Turntrans-60.5135.6179.2-168.6175-174.300110.8V500E498-V500 PolarHBondContact O-N 3.01Å
499G72.3Confident86.9Confident88 Ų8859.3 Ų59.391%0.90731%0.311SS*.THydrogen-bonded Turntrans72.12.6179.900000115.6A497A497-G499 PolarHBondContact O-N 2.82Å
500V79.3Confident87Confident32 Ų3258.5 Ų58.519%0.19431%0.307CS..PPolyproline II helixtrans-93.8128.7180-175.40000111.2N476 Q488 M494 A497 E498N476-V500 VanDerWaalsContact ND2-CG1 3.25Å; N476-V500 WeakPolarHBondContact ND2-CG1 3.32Å; Q488-V500 HydrophobicContact CG-CG1 4.18Å; M494-V500 HydrophobicContact CB-CG1 3.93Å; M494-V500 HydrophobicContact CG-CG1 4.08Å; M494-V500 HydrophobicContact SD-CG1 3.59Å; M494-V500 VanDerWaalsContact SD-CG1 3.59Å; A497-V500 HydrophobicContact CB-CB 3.9Å; A497-V500 HydrophobicContact CB-CG2 3.45Å; A497-V500 VanDerWaalsContact CB-CG2 3.45Å; A497-V500 PolarHBondContact O-N 3Å; E498-V500 PolarHBondContact O-N 3.01Å
501Q82.1Confident87.1Confident147 Ų14760.3 Ų60.369%0.68732%0.317SS*.PPolyproline II helixtrans-75.9127.1-179.9-170.9-179.712.700111.4N476N476-Q501 PolarHBondContact ND2-O 3.21Å; N476-Q501 PolarHBondContact OD1-O 3.05Å
502L85.2Confident87.3Confident58 Ų5862.1 Ų62.130%0.30433%0.332SS..PPolyproline II helixtrans-86.6124168.5-176.8109.5000110.5M494 N495M494-L502 HydrophobicContact CB-CD1 4.44Å; N495-L502 HydrophobicContact CB-CD1 3.86Å
503K89.9Confident87.5Confident63 Ų6365.3 Ų65.327%0.27435%0.347SS..PPolyproline II helixtrans-83.6116.2166.1-176.676.3176.6-165.20109.5E442 F474 V505E442-K503 IonicContact OE1-NZ 2.73Å; E442-K503 PolarHBondContact OE1-NZ 3.28Å; E442-K503 IonicContact OE2-NZ 3.55Å; F474-K503 HydrophobicContact CD2-CB 4.36Å; F474-K503 HydrophobicContact CD2-CG 4.32Å; K503-V505 HydrophobicContact CG-CG2 4.1Å
504Q90.9Very high88Confident45 Ų4564.2 Ų64.221%0.2134%0.34CS..PPolyproline II helixtrans-91.5127171.7-178.466.928.400109.4H506 Y597Q504-H506 PolarHBondContact NE2-CE1 3.22Å; Q504-H506 VanDerWaalsContact NE2-CE1 3.32Å; Q504-H506 PolarHBondContact NE2-NE2 2.94Å; Q504-Y597 HydrophobicContact CG-CE2 4.39Å
505V94.3Very high88.5Confident9 Ų967.4 Ų67.46%0.05536%0.355CS..  trans-139.3127.8168.3-175.10000106.4L472 F474 K503 E509 F510 M513L472-V505 HydrophobicContact CD1-CB 4.43Å; L472-V505 HydrophobicContact CD1-CG1 4.46Å; F474-V505 HydrophobicContact CE2-CB 3.89Å; F474-V505 HydrophobicContact CE2-CG2 3.7Å; F474-V505 HydrophobicContact CZ-CB 4.28Å; F474-V505 HydrophobicContact CZ-CG2 4.12Å; K503-V505 HydrophobicContact CG-CG2 4.1Å; V505-E509 HydrophobicContact CG1-CB 4.11Å; V505-F510 HydrophobicContact CG1-CB 3.95Å; V505-M513 HydrophobicContact CG1-SD 4.29Å
506H96.3Very high89.5Confident46 Ų4672.4 Ų72.421%0.21338%0.376CS..  trans-80.7156.9177.4-65.5-87000111.1Q504 D508 E509 F510 Y597Q504-H506 PolarHBondContact NE2-CE1 3.22Å; Q504-H506 VanDerWaalsContact NE2-CE1 3.32Å; Q504-H506 PolarHBondContact NE2-NE2 2.94Å; H506-D508 VanDerWaalsContact C-N 3.28Å; H506-D508 WeakPolarHBondContact CB-OD1 3.44Å; H506-D508 PolarHBondContact O-N 3.16Å; H506-E509 HydrophobicContact CB-CG 4.23Å; H506-E509 IonicContact CD2-OE2 2.68Å; H506-E509 PolarHBondContact CD2-OE2 2.87Å; H506-E509 IonicContact CG-OE2 3.37Å; H506-E509 PolarHBondContact N-OE2 3.34Å; H506-E509 PolarHBondContact O-N 2.73Å; H506-F510 WeakPolarHBondContact O-CB 3.42Å; H506-F510 PolarHBondContact O-N 2.77Å; H506-Y597 AromaticContact CE1-CD1 3.54Å; H506-Y597 AromaticContact CE1-CD2 3.92Å; H506-Y597 AromaticContact CE1-CE1 4Å; H506-Y597 AromaticContact CE1-CG 3.5Å; H506-Y597 VanDerWaalsContact CE1-CG 3.5Å
507Y96.6Very high90.8Very high67 Ų6769.8 Ų69.826%0.26337%0.368SS..Hα-helixtrans-60.3-38.6-175.477.6-77000112.7V469 F470 F510 I511V469-Y507 HydrophobicContact CB-CD1 4.26Å; V469-Y507 HydrophobicContact CB-CE1 4.21Å; V469-Y507 HydrophobicContact CG1-CD1 3.7Å; V469-Y507 HydrophobicContact CG1-CE1 3.95Å; V469-Y507 HydrophobicContact CG1-CG 4.44Å; V469-Y507 HydrophobicContact CG2-CD1 4.29Å; V469-Y507 HydrophobicContact CG2-CE1 3.74Å; F470-Y507 HydrophobicContact CE1-CD2 4.18Å; F470-Y507 HydrophobicContact CE1-CG 4.41Å; Y507-F510 PolarHBondContact O-N 3.04Å; Y507-I511 HydrophobicContact CD2-CD1 4.21Å; Y507-I511 WeakPolarHBondContact O-CD1 3.49Å; Y507-I511 VanDerWaalsContact O-CG1 3.22Å; Y507-I511 WeakPolarHBondContact O-CG1 3.24Å; Y507-I511 PolarHBondContact O-N 3.06Å
508D96.7Very high92.1Very high93 Ų9369.7 Ų69.750%0.49736%0.36SS..Hα-helixtrans-73.1-26.6179.559.4-29.5000113H506 P512H506-D508 VanDerWaalsContact C-N 3.28Å; H506-D508 WeakPolarHBondContact CB-OD1 3.44Å; H506-D508 PolarHBondContact O-N 3.16Å; D508-P512 WeakPolarHBondContact O-CD 3.39Å; D508-P512 WeakPolarHBondContact O-CG 3.45Å
509E97.8Very high93.5Very high98 Ų9865 Ų6546%0.45835%0.347SS..Hα-helixtrans-77.9-39.1167.8-59.8175.4135.900111.5V505 H506 P512 M513V505-E509 HydrophobicContact CG1-CB 4.11Å; H506-E509 HydrophobicContact CB-CG 4.23Å; H506-E509 IonicContact CD2-OE2 2.68Å; H506-E509 PolarHBondContact CD2-OE2 2.87Å; H506-E509 IonicContact CG-OE2 3.37Å; H506-E509 PolarHBondContact N-OE2 3.34Å; H506-E509 PolarHBondContact O-N 2.73Å; E509-P512 VanDerWaalsContact O-CD 3.31Å; E509-P512 WeakPolarHBondContact O-CD 3.44Å; E509-P512 VanDerWaalsContact O-CG 3.3Å; E509-P512 WeakPolarHBondContact O-CG 3.44Å; E509-M513 VanDerWaalsContact O-CG 3.23Å; E509-M513 WeakPolarHBondContact O-CG 3.36Å; E509-M513 PolarHBondContact O-N 2.81Å
510F98Very high94.6Very high0 Ų068.5 Ų68.50%034%0.339CS..Hα-helixtrans-67.7-44-176.3169.2-97.2000112.9F439 F448 F470 L472 F474 V505 H506 Y507 M513 F514 W523F439-F510 HydrophobicContact CD2-CD2 4.18Å; F439-F510 AromaticContact CD2-CE2 3.61Å; F439-F510 HydrophobicContact CD2-CE2 3.61Å; F439-F510 AromaticContact CE2-CD2 3.64Å; F439-F510 HydrophobicContact CE2-CD2 3.64Å; F439-F510 AromaticContact CE2-CE2 3.51Å; F439-F510 HydrophobicContact CE2-CE2 3.51Å; F439-F510 HydrophobicContact CG-CE2 4.48Å; F439-F510 HydrophobicContact CZ-CD2 4.04Å; F439-F510 HydrophobicContact CZ-CE2 4.31Å; F448-F510 HydrophobicContact CD2-CE2 4.39Å; F448-F510 HydrophobicContact CD2-CZ 4.41Å; F448-F510 HydrophobicContact CE2-CE2 4.05Å; F448-F510 AromaticContact CE2-CZ 3.7Å; F448-F510 HydrophobicContact CE2-CZ 3.7Å; F448-F510 HydrophobicContact CZ-CE2 4.48Å; F448-F510 HydrophobicContact CZ-CZ 4.14Å; F470-F510 AromaticContact CE2-CD1 3.83Å; F470-F510 HydrophobicContact CE2-CD1 3.83Å; F470-F510 HydrophobicContact CE2-CE1 4.27Å; F470-F510 AromaticContact CZ-CD1 4Å; F470-F510 HydrophobicContact CZ-CD1 4Å; F470-F510 HydrophobicContact CZ-CE1 4.48Å; L472-F510 HydrophobicContact CD1-CB 3.23Å; L472-F510 HydrophobicContact CD1-CD1 3.89Å; L472-F510 HydrophobicContact CD1-CD2 3.42Å; L472-F510 VanDerWaalsContact CD1-CD2 3.42Å; L472-F510 HydrophobicContact CD1-CE2 4.18Å; L472-F510 HydrophobicContact CD1-CG 3.23Å; L472-F510 HydrophobicContact CD2-CD1 4.27Å; L472-F510 HydrophobicContact CD2-CD2 3.96Å; L472-F510 HydrophobicContact CD2-CE1 4.17Å; L472-F510 HydrophobicContact CD2-CE2 3.83Å; L472-F510 HydrophobicContact CD2-CG 4.16Å; L472-F510 HydrophobicContact CD2-CZ 3.95Å; L472-F510 HydrophobicContact CG-CD2 4.32Å; L472-F510 HydrophobicContact CG-CG 4.3Å; F474-F510 HydrophobicContact CZ-CD2 4.32Å; V505-F510 HydrophobicContact CG1-CB 3.95Å; H506-F510 WeakPolarHBondContact O-CB 3.42Å; H506-F510 PolarHBondContact O-N 2.77Å; Y507-F510 PolarHBondContact O-N 3.04Å; F510-M513 WeakPolarHBondContact O-CB 3.1Å; F510-M513 PolarHBondContact O-N 2.81Å; F510-M513 VanDerWaalsContact O-N 3.16Å; F510-F514 HydrophobicContact CD1-CB 4.31Å; F510-F514 HydrophobicContact CE1-CB 3.93Å; F510-F514 HydrophobicContact CE1-CD2 4.08Å; F510-F514 HydrophobicContact CE1-CG 4.08Å; F510-F514 HydrophobicContact CE2-CB 4.24Å; F510-F514 HydrophobicContact CE2-CD2 4.06Å; F510-F514 HydrophobicContact CZ-CB 3.9Å; F510-F514 AromaticContact CZ-CD2 3.45Å; F510-F514 HydrophobicContact CZ-CD2 3.45Å; F510-F514 VanDerWaalsContact CZ-CD2 3.45Å; F510-F514 HydrophobicContact CZ-CE2 4.19Å; F510-F514 AromaticContact CZ-CG 3.89Å; F510-F514 HydrophobicContact CZ-CG 3.89Å; F510-F514 VanDerWaalsContact O-CB 3.27Å; F510-F514 WeakPolarHBondContact O-CB 3.16Å; F510-F514 PolarHBondContact O-N 2.87Å; F510-W523 HydrophobicContact CE1-CD2 4.41Å; F510-W523 AromaticContact CE1-CE3 3.89Å; F510-W523 HydrophobicContact CE1-CE3 3.89Å; F510-W523 AromaticContact CE1-CH2 3.74Å; F510-W523 HydrophobicContact CE1-CH2 3.74Å; F510-W523 HydrophobicContact CE1-CZ2 4.27Å; F510-W523 AromaticContact CE1-CZ3 3.55Å; F510-W523 HydrophobicContact CE1-CZ3 3.55Å; F510-W523 HydrophobicContact CZ-CH2 4.45Å; F510-W523 HydrophobicContact CZ-CZ3 4.13Å
511I98.4Very high95.4Very high41 Ų4169.4 Ų69.421%0.2134%0.34CS..Hα-helixtrans-51.9-55.5-178.2-70.8164.2000111.9F470 Y507 M513 F514 E515 W523F470-I511 HydrophobicContact CE1-CD1 4.27Å; F470-I511 HydrophobicContact CZ-CD1 4.26Å; F470-I511 HydrophobicContact CZ-CG1 4.09Å; Y507-I511 HydrophobicContact CD2-CD1 4.21Å; Y507-I511 WeakPolarHBondContact O-CD1 3.49Å; Y507-I511 VanDerWaalsContact O-CG1 3.22Å; Y507-I511 WeakPolarHBondContact O-CG1 3.24Å; Y507-I511 PolarHBondContact O-N 3.06Å; I511-M513 VanDerWaalsContact C-N 3.34Å; I511-M513 PolarHBondContact O-N 3.01Å; I511-F514 PolarHBondContact O-N 3.16Å; I511-E515 WeakPolarHBondContact O-CB 3.39Å; I511-E515 WeakPolarHBondContact O-CG 3.25Å; I511-E515 PolarHBondContact O-N 2.86Å; I511-W523 HydrophobicContact CD1-CG 4.37Å; I511-W523 HydrophobicContact CG1-CB 4.22Å; I511-W523 HydrophobicContact CG1-CD2 4.35Å; I511-W523 HydrophobicContact CG1-CG 3.76Å; I511-W523 HydrophobicContact CG2-CB 3.88Å; I511-W523 HydrophobicContact CG2-CG 4.34Å
512P98.4Very high96.1Very high71 Ų7164.9 Ų64.946%0.46132%0.323SS..Hα-helixtrans-65.3-35.1179.524-32.8000112.8D508 E509 Q516D508-P512 WeakPolarHBondContact O-CD 3.39Å; D508-P512 WeakPolarHBondContact O-CG 3.45Å; E509-P512 VanDerWaalsContact O-CD 3.31Å; E509-P512 WeakPolarHBondContact O-CD 3.44Å; E509-P512 VanDerWaalsContact O-CG 3.3Å; E509-P512 WeakPolarHBondContact O-CG 3.44Å; P512-Q516 VanDerWaalsContact O-CB 3.3Å; P512-Q516 WeakPolarHBondContact O-CB 3.02Å; P512-Q516 PolarHBondContact O-N 3.25Å
513M98.3Very high96.7Very high83 Ų8362.3 Ų62.341%0.40931%0.309SS..Hα-helixtrans-64.3-42.8174.9-66.8172.675.500111.8F439 V505 E509 F510 I511 Q516 Q517F439-M513 HydrophobicContact CE1-CE 3.98Å; F439-M513 HydrophobicContact CE2-CB 4.29Å; F439-M513 HydrophobicContact CZ-CB 3.92Å; F439-M513 HydrophobicContact CZ-CE 3.73Å; F439-M513 HydrophobicContact CZ-SD 4.29Å; V505-M513 HydrophobicContact CG1-SD 4.29Å; E509-M513 VanDerWaalsContact O-CG 3.23Å; E509-M513 WeakPolarHBondContact O-CG 3.36Å; E509-M513 PolarHBondContact O-N 2.81Å; F510-M513 WeakPolarHBondContact O-CB 3.1Å; F510-M513 PolarHBondContact O-N 2.81Å; F510-M513 VanDerWaalsContact O-N 3.16Å; I511-M513 VanDerWaalsContact C-N 3.34Å; I511-M513 PolarHBondContact O-N 3.01Å; M513-Q516 PolarHBondContact O-N 2.79Å; M513-Q517 PolarHBondContact O-N 2.89Å
514F98.3Very high97.1Very high0 Ų067 Ų670%033%0.33CS..Hα-helixtrans-66.3-46.3179.3-177.9-90.4000111.2V437 F448 F510 I511 Q516 Q517 Y518 W523 V526 L566 M578V437-F514 HydrophobicContact CG1-CE2 4.14Å; F448-F514 HydrophobicContact CZ-CE2 4.14Å; F510-F514 HydrophobicContact CD1-CB 4.31Å; F510-F514 HydrophobicContact CE1-CB 3.93Å; F510-F514 HydrophobicContact CE1-CD2 4.08Å; F510-F514 HydrophobicContact CE1-CG 4.08Å; F510-F514 HydrophobicContact CE2-CB 4.24Å; F510-F514 HydrophobicContact CE2-CD2 4.06Å; F510-F514 HydrophobicContact CZ-CB 3.9Å; F510-F514 AromaticContact CZ-CD2 3.45Å; F510-F514 HydrophobicContact CZ-CD2 3.45Å; F510-F514 VanDerWaalsContact CZ-CD2 3.45Å; F510-F514 HydrophobicContact CZ-CE2 4.19Å; F510-F514 AromaticContact CZ-CG 3.89Å; F510-F514 HydrophobicContact CZ-CG 3.89Å; F510-F514 VanDerWaalsContact O-CB 3.27Å; F510-F514 WeakPolarHBondContact O-CB 3.16Å; F510-F514 PolarHBondContact O-N 2.87Å; I511-F514 PolarHBondContact O-N 3.16Å; F514-Q516 VanDerWaalsContact C-N 3.3Å; F514-Q516 PolarHBondContact O-N 3.25Å; F514-Q517 CarbonylContact O-C 3.57Å; F514-Q517 PolarHBondContact O-N 3.41Å; F514-Q517 VanDerWaalsContact O-N 3.14Å; F514-Y518 AromaticContact CD2-CD2 3.87Å; F514-Y518 HydrophobicContact CD2-CD2 3.87Å; F514-Y518 HydrophobicContact CD2-CE2 4.33Å; F514-Y518 HydrophobicContact CE1-CD2 4.24Å; F514-Y518 AromaticContact CE2-CD2 3.56Å; F514-Y518 HydrophobicContact CE2-CD2 3.56Å; F514-Y518 AromaticContact CE2-CE2 3.93Å; F514-Y518 HydrophobicContact CE2-CE2 3.93Å; F514-Y518 HydrophobicContact CG-CD2 4.36Å; F514-Y518 AromaticContact CZ-CD2 3.79Å; F514-Y518 HydrophobicContact CZ-CD2 3.79Å; F514-Y518 HydrophobicContact CZ-CE2 4.46Å; F514-Y518 WeakPolarHBondContact O-CB 3.22Å; F514-Y518 PolarHBondContact O-N 3.25Å; F514-W523 AromaticContact CD1-CE3 3.88Å; F514-W523 HydrophobicContact CD1-CE3 3.88Å; F514-W523 HydrophobicContact CD1-CZ3 4.47Å; F514-W523 AromaticContact CE1-CE3 3.91Å; F514-W523 HydrophobicContact CE1-CE3 3.91Å; F514-W523 HydrophobicContact CE1-CZ3 4.32Å; F514-W523 HydrophobicContact CG-CE3 4.32Å; F514-W523 HydrophobicContact CZ-CE3 4.36Å; F514-W523 HydrophobicContact CZ-CZ3 4.31Å; F514-V526 HydrophobicContact CE1-CG2 4.47Å; F514-L566 HydrophobicContact CZ-CD1 4.26Å; F514-M578 HydrophobicContact CE1-CE 4.17Å; F514-M578 HydrophobicContact CE1-SD 4.18Å; F514-M578 HydrophobicContact CE2-CE 4.35Å; F514-M578 HydrophobicContact CZ-CE 3.54Å; F514-M578 HydrophobicContact CZ-SD 3.57Å; F514-M578 VanDerWaalsContact CZ-SD 3.57Å
515E98.4Very high97.4Very high71 Ų7169.8 Ų69.833%0.33235%0.346SS..Hα-helixtrans-66.4-32.2177.5-70.1-176.916200112.1I511 Y518 P519 W523I511-E515 WeakPolarHBondContact O-CB 3.39Å; I511-E515 WeakPolarHBondContact O-CG 3.25Å; I511-E515 PolarHBondContact O-N 2.86Å; E515-Y518 CarbonylContact O-C 3.56Å; E515-Y518 VanDerWaalsContact O-C 3.28Å; E515-P519 WeakPolarHBondContact O-CA 2.94Å; E515-P519 VanDerWaalsContact O-N 3.08Å; E515-W523 HydrophobicContact CG-CB 4.38Å; E515-W523 PolarHBondContact OE1-N 3.2Å
516Q98.4Very high97.5Very high165 Ų16570.1 Ų70.177%0.77135%0.348SS*.Hα-helixtrans-65.3-41.9170.9-175.6-178.59.900111.8P512 M513 F514P512-Q516 VanDerWaalsContact O-CB 3.3Å; P512-Q516 WeakPolarHBondContact O-CB 3.02Å; P512-Q516 PolarHBondContact O-N 3.25Å; M513-Q516 PolarHBondContact O-N 2.79Å; F514-Q516 VanDerWaalsContact C-N 3.3Å; F514-Q516 PolarHBondContact O-N 3.25Å
517Q98.2Very high97.6Very high54 Ų5469.9 Ų69.925%0.25235%0.347SS..Hα-helixtrans-70.9-35.9177.8-174.7174.5-48.300112L438 M513 F514 P519L438-Q517 PolarHBondContact O-NE2 3.14Å; M513-Q517 PolarHBondContact O-N 2.89Å; F514-Q517 CarbonylContact O-C 3.57Å; F514-Q517 PolarHBondContact O-N 3.41Å; F514-Q517 VanDerWaalsContact O-N 3.14Å; Q517-P519 WeakPolarHBondContact O-CD 3Å
518Y97.8Very high97.6Very high34 Ų3469.4 Ų69.413%0.13336%0.357CS..  trans-128.267.4-174.1-64.1-59.4000111.5V437 L438 F514 E515 Q520 Y521 W568 M578V437-Y518 HydrophobicContact CG1-CD2 4.41Å; V437-Y518 HydrophobicContact CG1-CE2 3.65Å; L438-Y518 WeakPolarHBondContact O-CE2 3.3Å; L438-Y518 PolarHBondContact O-OH 3.01Å; F514-Y518 AromaticContact CD2-CD2 3.87Å; F514-Y518 HydrophobicContact CD2-CD2 3.87Å; F514-Y518 HydrophobicContact CD2-CE2 4.33Å; F514-Y518 HydrophobicContact CE1-CD2 4.24Å; F514-Y518 AromaticContact CE2-CD2 3.56Å; F514-Y518 HydrophobicContact CE2-CD2 3.56Å; F514-Y518 AromaticContact CE2-CE2 3.93Å; F514-Y518 HydrophobicContact CE2-CE2 3.93Å; F514-Y518 HydrophobicContact CG-CD2 4.36Å; F514-Y518 AromaticContact CZ-CD2 3.79Å; F514-Y518 HydrophobicContact CZ-CD2 3.79Å; F514-Y518 HydrophobicContact CZ-CE2 4.46Å; F514-Y518 WeakPolarHBondContact O-CB 3.22Å; F514-Y518 PolarHBondContact O-N 3.25Å; E515-Y518 CarbonylContact O-C 3.56Å; E515-Y518 VanDerWaalsContact O-C 3.28Å; Y518-Q520 PolarHBondContact O-N 3.36Å; Y518-Y521 PolarHBondContact O-N 3.44Å; Y518-W568 HydrophobicContact CD1-CH2 4.22Å; Y518-W568 HydrophobicContact CD1-CZ2 4.19Å; Y518-W568 HydrophobicContact CE1-CH2 4.19Å; Y518-W568 AromaticContact CE1-CZ2 3.69Å; Y518-W568 HydrophobicContact CE1-CZ2 3.69Å; Y518-M578 HydrophobicContact CD1-CE 4.02Å; Y518-M578 HydrophobicContact CD2-CE 3.81Å; Y518-M578 HydrophobicContact CE2-CE 4.28Å; Y518-M578 HydrophobicContact CG-CE 3.65Å
519P97.3Very high97.6Very high100 Ų10066.4 Ų66.465%0.64935%0.348SS*.THydrogen-bonded Turntrans-66-14.3-171.226-36.1000114.7E515 Q517 Y521E515-P519 WeakPolarHBondContact O-CA 2.94Å; E515-P519 VanDerWaalsContact O-N 3.08Å; Q517-P519 WeakPolarHBondContact O-CD 3Å; P519-Y521 VanDerWaalsContact C-N 3.34Å
520Q95.4Very high97.7Very high161 Ų16161.7 Ų61.775%0.75233%0.326SS*.THydrogen-bonded Turntrans-86.3-6176.1-61-178.642.600113.1Y518Y518-Q520 PolarHBondContact O-N 3.36Å
521Y96.8Very high97.7Very high51 Ų5163 Ų6320%0.233%0.332CS..SBendtrans-128.376.1-174.9-54.5-88.8000109.9Y518 P519 W523 W568 R576 M578Y518-Y521 PolarHBondContact O-N 3.44Å; P519-Y521 VanDerWaalsContact C-N 3.34Å; Y521-W523 PolarHBondContact O-N 2.89Å; Y521-W568 HydrophobicContact CD2-CH2 4.29Å; Y521-W568 HydrophobicContact CE1-CZ3 4.04Å; Y521-W568 AromaticContact CE2-CH2 3.81Å; Y521-W568 HydrophobicContact CE2-CH2 3.81Å; Y521-W568 AromaticContact CE2-CZ3 3.92Å; Y521-W568 HydrophobicContact CE2-CZ3 3.92Å; Y521-W568 AromaticContact CZ-CZ3 3.61Å; Y521-R576 WeakPolarHBondContact CE1-O 3.34Å; Y521-R576 PolarHBondContact OH-O 2.94Å; Y521-M578 HydrophobicContact CD1-CE 4.34Å; Y521-M578 HydrophobicContact CD1-CG 4Å; Y521-M578 HydrophobicContact CD1-SD 4.19Å; Y521-M578 HydrophobicContact CD2-CE 3.8Å; Y521-M578 HydrophobicContact CE1-CG 4.28Å; Y521-M578 HydrophobicContact CE2-CE 4.41Å; Y521-M578 HydrophobicContact CG-CE 3.76Å; Y521-M578 HydrophobicContact CG-CG 4.36Å; Y521-M578 HydrophobicContact CG-SD 4.02Å
522P97.6Very high97.6Very high53 Ų5367.3 Ų67.334%0.34435%0.349SS..  trans-52.2135.9173.7-23.433.8000110.5K524 D525 V526P522-K524 PolarHBondContact O-N 2.85Å; P522-D525 PolarHBondContact O-N 3.48Å; P522-V526 PolarHBondContact O-N 3.01Å
523W97.9Very high97.5Very high4 Ų464 Ų642%0.01533%0.328CS..Hα-helixtrans-60-36.6-173.7179.9-103.2000111.8I450 F470 F510 I511 F514 E515 Y521 D525 V526 E527 L530 L566I450-W523 HydrophobicContact CD1-CH2 3.67Å; I450-W523 HydrophobicContact CD1-CZ3 4.44Å; I450-W523 HydrophobicContact CG1-CH2 4.3Å; F470-W523 HydrophobicContact CD1-CZ2 4.5Å; F470-W523 AromaticContact CE1-CE2 3.81Å; F470-W523 AromaticContact CE1-CZ2 3.79Å; F470-W523 HydrophobicContact CE1-CZ2 3.79Å; F470-W523 AromaticContact CE1-NE1 3.43Å; F470-W523 AromaticContact CE2-CZ2 3.92Å; F470-W523 HydrophobicContact CE2-CZ2 3.92Å; F470-W523 AromaticContact CZ-CE2 3.58Å; F470-W523 HydrophobicContact CZ-CH2 4.37Å; F470-W523 AromaticContact CZ-CZ2 3.44Å; F470-W523 HydrophobicContact CZ-CZ2 3.44Å; F470-W523 VanDerWaalsContact CZ-CZ2 3.44Å; F470-W523 AromaticContact CZ-NE1 3.62Å; F510-W523 HydrophobicContact CE1-CD2 4.41Å; F510-W523 AromaticContact CE1-CE3 3.89Å; F510-W523 HydrophobicContact CE1-CE3 3.89Å; F510-W523 AromaticContact CE1-CH2 3.74Å; F510-W523 HydrophobicContact CE1-CH2 3.74Å; F510-W523 HydrophobicContact CE1-CZ2 4.27Å; F510-W523 AromaticContact CE1-CZ3 3.55Å; F510-W523 HydrophobicContact CE1-CZ3 3.55Å; F510-W523 HydrophobicContact CZ-CH2 4.45Å; F510-W523 HydrophobicContact CZ-CZ3 4.13Å; I511-W523 HydrophobicContact CD1-CG 4.37Å; I511-W523 HydrophobicContact CG1-CB 4.22Å; I511-W523 HydrophobicContact CG1-CD2 4.35Å; I511-W523 HydrophobicContact CG1-CG 3.76Å; I511-W523 HydrophobicContact CG2-CB 3.88Å; I511-W523 HydrophobicContact CG2-CG 4.34Å; F514-W523 AromaticContact CD1-CE3 3.88Å; F514-W523 HydrophobicContact CD1-CE3 3.88Å; F514-W523 HydrophobicContact CD1-CZ3 4.47Å; F514-W523 AromaticContact CE1-CE3 3.91Å; F514-W523 HydrophobicContact CE1-CE3 3.91Å; F514-W523 HydrophobicContact CE1-CZ3 4.32Å; F514-W523 HydrophobicContact CG-CE3 4.32Å; F514-W523 HydrophobicContact CZ-CE3 4.36Å; F514-W523 HydrophobicContact CZ-CZ3 4.31Å; E515-W523 HydrophobicContact CG-CB 4.38Å; E515-W523 PolarHBondContact OE1-N 3.2Å; Y521-W523 PolarHBondContact O-N 2.89Å; W523-D525 PolarHBondContact O-N 2.92Å; W523-V526 HydrophobicContact CE3-CB 4.28Å; W523-V526 HydrophobicContact CE3-CG1 4.29Å; W523-V526 HydrophobicContact CZ3-CG1 4.06Å; W523-V526 WeakPolarHBondContact O-CB 3.48Å; W523-V526 PolarHBondContact O-N 2.93Å; W523-V526 VanDerWaalsContact O-N 3.12Å; W523-E527 WeakPolarHBondContact O-CB 3.47Å; W523-E527 PolarHBondContact O-N 3.04Å; W523-L530 HydrophobicContact CZ2-CD1 4.45Å; W523-L566 HydrophobicContact CZ3-CD1 4.34Å
524K97.4Very high97.5Very high160 Ų16060.1 Ų60.170%0.69631%0.309SS*.Hα-helixtrans-54.3-37.3176.9-176.8-180176.8-177.80113P522 A528P522-K524 PolarHBondContact O-N 2.85Å; K524-A528 WeakPolarHBondContact O-CB 3.25Å; K524-A528 PolarHBondContact O-N 2.93Å
525D97.3Very high97.4Very high105 Ų10563.8 Ų63.856%0.56132%0.324SS*.Hα-helixtrans-77-38.5-179.6-63.2-26000111P522 W523 A528 G529P522-D525 PolarHBondContact O-N 3.48Å; W523-D525 PolarHBondContact O-N 2.92Å; D525-A528 PolarHBondContact O-N 2.6Å; D525-G529 PolarHBondContact O-N 2.77Å
526V97.3Very high97.3Very high15 Ų1562.7 Ų62.79%0.09132%0.319CS..Hα-helixtrans-59.9-48.6171.9179.40000110.1F514 P522 W523 A528 G529 L530 L566 M578F514-V526 HydrophobicContact CE1-CG2 4.47Å; P522-V526 PolarHBondContact O-N 3.01Å; W523-V526 HydrophobicContact CE3-CB 4.28Å; W523-V526 HydrophobicContact CE3-CG1 4.29Å; W523-V526 HydrophobicContact CZ3-CG1 4.06Å; W523-V526 WeakPolarHBondContact O-CB 3.48Å; W523-V526 PolarHBondContact O-N 2.93Å; W523-V526 VanDerWaalsContact O-N 3.12Å; V526-A528 PolarHBondContact O-N 2.9Å; V526-G529 WeakPolarHBondContact O-CA 3.45Å; V526-G529 PolarHBondContact O-N 2.92Å; V526-L530 WeakPolarHBondContact O-CG 3.42Å; V526-L530 PolarHBondContact O-N 3.44Å; V526-L566 HydrophobicContact CG1-CD1 3.75Å; V526-L566 HydrophobicContact CG1-CD2 3.85Å; V526-L566 HydrophobicContact CG1-CG 4.47Å; V526-M578 HydrophobicContact CG2-SD 4.04Å
527E97.3Very high97.2Very high41 Ų4155 Ų5519%0.19228%0.283CS..Hα-helixtrans-62.2-39.5179.9-176170.1-112.500112.5Y452 W523 G529 L530 F531Y452-E527 PolarHBondContact OH-OE1 3.11Å; W523-E527 WeakPolarHBondContact O-CB 3.47Å; W523-E527 PolarHBondContact O-N 3.04Å; E527-G529 PolarHBondContact O-N 3.44Å; E527-L530 WeakPolarHBondContact O-CA 3.49Å; E527-L530 WeakPolarHBondContact O-CB 3.31Å; E527-L530 PolarHBondContact O-N 3.1Å; E527-F531 HydrophobicContact CG-CD1 4.15Å; E527-F531 HydrophobicContact CG-CD2 4.43Å; E527-F531 HydrophobicContact CG-CE1 3.58Å; E527-F531 HydrophobicContact CG-CE2 3.93Å; E527-F531 HydrophobicContact CG-CZ 3.46Å; E527-F531 VanDerWaalsContact CG-CZ 3.46Å; E527-F531 WeakPolarHBondContact O-CG 3.49Å; E527-F531 PolarHBondContact O-N 2.8Å
528A97.5Very high97.1Very high58 Ų5852.4 Ų52.448%0.47927%0.271SS..Hα-helixtrans-58.7-37.6172.300000112.1K524 D525 V526 K532K524-A528 WeakPolarHBondContact O-CB 3.25Å; K524-A528 PolarHBondContact O-N 2.93Å; D525-A528 PolarHBondContact O-N 2.6Å; V526-A528 PolarHBondContact O-N 2.9Å; A528-K532 WeakPolarHBondContact O-CB 3.46Å; A528-K532 PolarHBondContact O-N 3.41Å; A528-K532 VanDerWaalsContact O-N 3.08Å
529G96.9Very high97Very high29 Ų2954.9 Ų54.930%0.29928%0.284SS..Hα-helixtrans-64.1-41.3171.800000113.1D525 V526 E527 A533D525-G529 PolarHBondContact O-N 2.77Å; V526-G529 WeakPolarHBondContact O-CA 3.45Å; V526-G529 PolarHBondContact O-N 2.92Å; E527-G529 PolarHBondContact O-N 3.44Å; G529-A533 PolarHBondContact O-N 2.89Å; G529-A533 VanDerWaalsContact O-N 3.13Å
530L97.9Very high96.9Very high0 Ų050.3 Ų50.30%026%0.255CS..Hα-helixtrans-60.5-50174.7-56.7-178.6000111.2Y452 W523 V526 E527 K532 A533 F534 L564 L566 P580Y452-L530 HydrophobicContact CD2-CD1 4.28Å; Y452-L530 HydrophobicContact CE2-CD1 3.46Å; Y452-L530 VanDerWaalsContact CE2-CD1 3.46Å; W523-L530 HydrophobicContact CZ2-CD1 4.45Å; V526-L530 WeakPolarHBondContact O-CG 3.42Å; V526-L530 PolarHBondContact O-N 3.44Å; E527-L530 WeakPolarHBondContact O-CA 3.49Å; E527-L530 WeakPolarHBondContact O-CB 3.31Å; E527-L530 PolarHBondContact O-N 3.1Å; L530-K532 VanDerWaalsContact C-N 3.29Å; L530-K532 PolarHBondContact O-N 2.74Å; L530-A533 WeakPolarHBondContact O-CB 3.4Å; L530-A533 PolarHBondContact O-N 2.93Å; L530-F534 HydrophobicContact CB-CE2 4.17Å; L530-F534 HydrophobicContact CB-CZ 4.05Å; L530-F534 WeakPolarHBondContact O-CD1 3.38Å; L530-F534 VanDerWaalsContact O-CG 3.3Å; L530-F534 WeakPolarHBondContact O-CG 3.43Å; L530-F534 PolarHBondContact O-N 3.32Å; L530-L564 HydrophobicContact CD1-CD1 4.29Å; L530-L564 HydrophobicContact CD1-CD2 4.33Å; L530-L564 HydrophobicContact CD2-CD1 3.5Å; L530-L564 HydrophobicContact CD2-CD2 3.87Å; L530-L564 HydrophobicContact CD2-CG 4.35Å; L530-L566 HydrophobicContact CD2-CD2 4.08Å; L530-P580 HydrophobicContact CD2-CB 3.6Å; L530-P580 HydrophobicContact CD2-CG 3.68Å
531F98.1Very high96.9Very high28 Ų2842.7 Ų42.712%0.12322%0.219CC..Hα-helixtrans-65.7-34.8-176.7-69.43.6000111.9Y452 V466 E527 F534 K535 T620 I622Y452-F531 HydrophobicContact CD1-CE1 4.18Å; Y452-F531 AromaticContact CE1-CE1 3.77Å; Y452-F531 HydrophobicContact CE1-CE1 3.77Å; Y452-F531 HydrophobicContact CE1-CZ 4.23Å; V466-F531 HydrophobicContact CB-CE1 4.08Å; V466-F531 HydrophobicContact CB-CZ 4.13Å; V466-F531 HydrophobicContact CG1-CD1 4.28Å; V466-F531 HydrophobicContact CG1-CE1 3.56Å; V466-F531 HydrophobicContact CG1-CZ 3.87Å; V466-F531 HydrophobicContact CG2-CD1 4.07Å; V466-F531 HydrophobicContact CG2-CE1 4.12Å; V466-F531 HydrophobicContact CG2-CG 4.42Å; V466-F531 HydrophobicContact CG2-CZ 4.47Å; E527-F531 HydrophobicContact CG-CD1 4.15Å; E527-F531 HydrophobicContact CG-CD2 4.43Å; E527-F531 HydrophobicContact CG-CE1 3.58Å; E527-F531 HydrophobicContact CG-CE2 3.93Å; E527-F531 HydrophobicContact CG-CZ 3.46Å; E527-F531 VanDerWaalsContact CG-CZ 3.46Å; E527-F531 WeakPolarHBondContact O-CG 3.49Å; E527-F531 PolarHBondContact O-N 2.8Å; F531-F534 AromaticContact CD1-CD2 3.99Å; F531-F534 HydrophobicContact CD1-CD2 3.99Å; F531-F534 AromaticContact CD1-CE2 3.91Å; F531-F534 HydrophobicContact CD1-CE2 3.91Å; F531-F534 HydrophobicContact CE1-CE2 4.34Å; F531-F534 PolarHBondContact O-N 3.32Å; F531-K535 WeakPolarHBondContact O-CB 3.45Å; F531-K535 PolarHBondContact O-N 3.23Å; F531-T620 HydrophobicContact CE2-CG2 4.21Å; F531-I622 HydrophobicContact CB-CG2 3.93Å; F531-I622 HydrophobicContact CD2-CG2 3.75Å; F531-I622 HydrophobicContact CE2-CG2 4.47Å; F531-I622 HydrophobicContact CG-CG2 3.92Å
532K97Very high96.8Very high130 Ų13041.6 Ų41.657%0.56522%0.219SC*.Hα-helixtrans-61.1-45.6170.9-177.9-179.1171.6-174.10111.6A528 L530 F534 K535 E536A528-K532 WeakPolarHBondContact O-CB 3.46Å; A528-K532 PolarHBondContact O-N 3.41Å; A528-K532 VanDerWaalsContact O-N 3.08Å; L530-K532 VanDerWaalsContact C-N 3.29Å; L530-K532 PolarHBondContact O-N 2.74Å; K532-F534 PolarHBondContact O-N 3.06Å; K532-K535 PolarHBondContact O-N 2.99Å; K532-E536 WeakPolarHBondContact CE-OE1 3.27Å; K532-E536 IonicContact NZ-OE1 2.71Å; K532-E536 WeakPolarHBondContact O-CG 3.41Å; K532-E536 PolarHBondContact O-N 3.15Å
533A96.5Very high96.7Very high2 Ų242.6 Ų42.62%0.01723%0.227CC..Hα-helixtrans-61.3-44.2177.600000112W366 G529 L530 K535 E536 F537 I582W366-A533 HydrophobicContact CB-CB 3.68Å; W366-A533 HydrophobicContact CD2-CB 4.04Å; W366-A533 HydrophobicContact CG-CB 3.52Å; G529-A533 PolarHBondContact O-N 2.89Å; G529-A533 VanDerWaalsContact O-N 3.13Å; L530-A533 WeakPolarHBondContact O-CB 3.4Å; L530-A533 PolarHBondContact O-N 2.93Å; A533-K535 PolarHBondContact O-N 3.43Å; A533-E536 PolarHBondContact O-N 3.48Å; A533-F537 WeakPolarHBondContact O-CB 3.22Å; A533-F537 PolarHBondContact O-N 3.25Å; A533-I582 HydrophobicContact CB-CD1 4.31Å
534F97.9Very high96.5Very high2 Ų245.1 Ų45.11%0.00924%0.237CC..Hα-helixtrans-61.6-44.7177-54.9-25.4000112Y452 L454 V466 L530 F531 K532 F537 F538 V562 L564 I582 I622Y452-F534 HydrophobicContact CD2-CE2 4.4Å; Y452-F534 HydrophobicContact CD2-CZ 4.22Å; Y452-F534 HydrophobicContact CG-CE2 4.2Å; Y452-F534 HydrophobicContact CG-CZ 4.36Å; L454-F534 HydrophobicContact CD1-CB 4.34Å; L454-F534 HydrophobicContact CD1-CG 4.22Å; L454-F534 HydrophobicContact CD2-CD2 3.63Å; L454-F534 HydrophobicContact CD2-CE2 4Å; L454-F534 HydrophobicContact CD2-CG 4.13Å; V466-F534 HydrophobicContact CG2-CD2 4.17Å; L530-F534 HydrophobicContact CB-CE2 4.17Å; L530-F534 HydrophobicContact CB-CZ 4.05Å; L530-F534 WeakPolarHBondContact O-CD1 3.38Å; L530-F534 VanDerWaalsContact O-CG 3.3Å; L530-F534 WeakPolarHBondContact O-CG 3.43Å; L530-F534 PolarHBondContact O-N 3.32Å; F531-F534 AromaticContact CD1-CD2 3.99Å; F531-F534 HydrophobicContact CD1-CD2 3.99Å; F531-F534 AromaticContact CD1-CE2 3.91Å; F531-F534 HydrophobicContact CD1-CE2 3.91Å; F531-F534 HydrophobicContact CE1-CE2 4.34Å; F531-F534 PolarHBondContact O-N 3.32Å; K532-F534 PolarHBondContact O-N 3.06Å; F534-F537 PolarHBondContact O-N 3.48Å; F534-F538 WeakPolarHBondContact O-CD2 3.5Å; F534-F538 PolarHBondContact O-N 3.29Å; F534-V562 HydrophobicContact CD1-CG1 4.19Å; F534-V562 HydrophobicContact CD1-CG2 4.17Å; F534-V562 HydrophobicContact CE1-CB 4.2Å; F534-V562 HydrophobicContact CE1-CG1 3.54Å; F534-V562 HydrophobicContact CE1-CG2 3.65Å; F534-V562 HydrophobicContact CE2-CG1 4.05Å; F534-V562 HydrophobicContact CZ-CG1 3.44Å; F534-V562 VanDerWaalsContact CZ-CG1 3.44Å; F534-V562 HydrophobicContact CZ-CG2 4.38Å; F534-L564 HydrophobicContact CE1-CD2 3.6Å; F534-L564 HydrophobicContact CZ-CD2 3.39Å; F534-I582 HydrophobicContact CD1-CD1 3.92Å; F534-I582 HydrophobicContact CE1-CD1 4.24Å; F534-I582 HydrophobicContact CE1-CG1 4.4Å; F534-I622 HydrophobicContact CB-CD1 3.79Å; F534-I622 HydrophobicContact CD2-CD1 4.49Å
535K96.8Very high96.4Very high76 Ų7641.8 Ų41.833%0.3323%0.232SC..Hα-helixtrans-57.7-52.2176165.4167.1-162.8160.30111.7F531 K532 A533 F537 F538 Q539 I622 V623F531-K535 WeakPolarHBondContact O-CB 3.45Å; F531-K535 PolarHBondContact O-N 3.23Å; K532-K535 PolarHBondContact O-N 2.99Å; A533-K535 PolarHBondContact O-N 3.43Å; K535-F537 VanDerWaalsContact C-N 3.33Å; K535-F537 PolarHBondContact O-N 3.11Å; K535-F538 PolarHBondContact O-N 2.89Å; K535-Q539 HydrophobicContact CG-CG 4.46Å; K535-Q539 WeakPolarHBondContact O-CB 3.35Å; K535-Q539 WeakPolarHBondContact O-CG 3.47Å; K535-Q539 PolarHBondContact O-N 3.23Å; K535-I622 WeakPolarHBondContact CD-O 3.11Å; K535-I622 PolarHBondContact NZ-O 3.44Å; K535-V623 HydrophobicContact CB-CG2 3.8Å; K535-V623 HydrophobicContact CD-CG2 3.79Å; K535-V623 HydrophobicContact CG-CG2 3.48Å; K535-V623 VanDerWaalsContact CG-CG2 3.48Å
536E95.8Very high96.3Very high49 Ų4937.9 Ų37.923%0.22921%0.214CC..Hα-helixtrans-57.8-48.2178.9-74176.7-175.500110.4L358 W366 K532 A533 F538 Q539 A540L358-E536 HydrophobicContact CD2-CB 4.34Å; L358-E536 WeakPolarHBondContact CD2-O 3.06Å; W366-E536 HydrophobicContact CZ2-CB 4.28Å; W366-E536 PolarHBondContact NE1-OE2 3.13Å; K532-E536 WeakPolarHBondContact CE-OE1 3.27Å; K532-E536 IonicContact NZ-OE1 2.71Å; K532-E536 WeakPolarHBondContact O-CG 3.41Å; K532-E536 PolarHBondContact O-N 3.15Å; A533-E536 PolarHBondContact O-N 3.48Å; E536-F538 PolarHBondContact O-N 3.03Å; E536-Q539 WeakPolarHBondContact O-CB 3.43Å; E536-Q539 PolarHBondContact O-N 3.1Å; E536-A540 PolarHBondContact O-N 3.09Å; E536-A540 VanDerWaalsContact O-N 3.13Å
537F96.1Very high96.2Very high2 Ų238.5 Ų38.51%0.00922%0.218CC..Hα-helixtrans-55.8-52.5179.3179.6-119.2000113.3V345 L351 I354 W366 A533 F534 K535 Q539 A540 A541 L585V345-F537 HydrophobicContact CB-CE1 3.78Å; V345-F537 HydrophobicContact CB-CZ 3.76Å; V345-F537 HydrophobicContact CG1-CE1 3.68Å; V345-F537 HydrophobicContact CG1-CZ 3.61Å; L351-F537 HydrophobicContact CB-CZ 4.44Å; L351-F537 HydrophobicContact CD1-CZ 4.18Å; L351-F537 HydrophobicContact CG-CE2 3.89Å; L351-F537 HydrophobicContact CG-CZ 3.75Å; I354-F537 HydrophobicContact CB-CE2 4.01Å; I354-F537 HydrophobicContact CG2-CD2 3.93Å; I354-F537 HydrophobicContact CG2-CE2 3.67Å; W366-F537 HydrophobicContact CH2-CB 3.62Å; W366-F537 AromaticContact CH2-CD2 3.67Å; W366-F537 HydrophobicContact CH2-CD2 3.67Å; W366-F537 HydrophobicContact CH2-CG 4.02Å; W366-F537 HydrophobicContact CZ2-CB 3.9Å; W366-F537 HydrophobicContact CZ3-CB 4.3Å; W366-F537 HydrophobicContact CZ3-CD2 4.23Å; A533-F537 WeakPolarHBondContact O-CB 3.22Å; A533-F537 PolarHBondContact O-N 3.25Å; F534-F537 PolarHBondContact O-N 3.48Å; K535-F537 VanDerWaalsContact C-N 3.33Å; K535-F537 PolarHBondContact O-N 3.11Å; F537-Q539 VanDerWaalsContact C-N 3.3Å; F537-Q539 PolarHBondContact O-N 2.79Å; F537-A540 PolarHBondContact O-N 2.88Å; F537-A541 PolarHBondContact O-N 2.91Å; F537-L585 HydrophobicContact CD1-CD1 4.21Å; F537-L585 HydrophobicContact CD1-CD2 4.22Å; F537-L585 HydrophobicContact CE1-CD1 3.68Å; F537-L585 HydrophobicContact CE1-CD2 3.69Å; F537-L585 HydrophobicContact CE1-CG 4.33Å; F537-L585 HydrophobicContact CZ-CD1 4.26Å
538F97.2Very high96.2Very high0 Ų038.4 Ų38.40%022%0.216CC..Hα-helixtrans-70-26.3-179-84.3-87000113.3L454 L456 L462 L464 F534 K535 E536 S542 I550 Y560 L585L454-F538 HydrophobicContact CD1-CD2 4.4Å; L454-F538 HydrophobicContact CD1-CE2 3.58Å; L454-F538 HydrophobicContact CD1-CZ 4.34Å; L456-F538 HydrophobicContact CD1-CD1 4.15Å; L456-F538 HydrophobicContact CD2-CD1 4.25Å; L456-F538 HydrophobicContact CD2-CE1 4.02Å; L462-F538 HydrophobicContact CD1-CB 4.31Å; L462-F538 HydrophobicContact CD2-CB 4.15Å; L464-F538 HydrophobicContact CD1-CD2 4.39Å; L464-F538 HydrophobicContact CD1-CG 4.47Å; L464-F538 HydrophobicContact CD2-CB 3.89Å; L464-F538 HydrophobicContact CD2-CD2 3.57Å; L464-F538 HydrophobicContact CD2-CE2 4.31Å; L464-F538 HydrophobicContact CD2-CG 3.8Å; F534-F538 WeakPolarHBondContact O-CD2 3.5Å; F534-F538 PolarHBondContact O-N 3.29Å; K535-F538 PolarHBondContact O-N 2.89Å; E536-F538 PolarHBondContact O-N 3.03Å; F538-S542 VanDerWaalsContact O-CB 3.31Å; F538-S542 WeakPolarHBondContact O-CB 3.15Å; F538-S542 PolarHBondContact O-N 3.41Å; F538-S542 PolarHBondContact O-OG 3.25Å; F538-I550 HydrophobicContact CD1-CD1 4.19Å; F538-I550 HydrophobicContact CE1-CD1 4.17Å; F538-Y560 HydrophobicContact CE1-CD2 4.04Å; F538-Y560 AromaticContact CE1-CE2 3.82Å; F538-Y560 HydrophobicContact CE1-CE2 3.82Å; F538-Y560 AromaticContact CZ-CD2 3.67Å; F538-Y560 HydrophobicContact CZ-CD2 3.67Å; F538-Y560 AromaticContact CZ-CE2 3.94Å; F538-Y560 HydrophobicContact CZ-CE2 3.94Å; F538-Y560 HydrophobicContact CZ-CG 4.35Å; F538-L585 HydrophobicContact CE2-CD2 3.73Å; F538-L585 HydrophobicContact CZ-CD2 3.67Å
539Q95.8Very high96.1Very high87 Ų8735.6 Ų35.641%0.40719%0.193SC..Hα-helixtrans-62.8-43.2170.5-76.6174.8-30.400111.5L462 K535 E536 F537 S542 S543L462-Q539 HydrophobicContact CD2-CB 4.37Å; L462-Q539 HydrophobicContact CD2-CG 3.67Å; K535-Q539 HydrophobicContact CG-CG 4.46Å; K535-Q539 WeakPolarHBondContact O-CB 3.35Å; K535-Q539 WeakPolarHBondContact O-CG 3.47Å; K535-Q539 PolarHBondContact O-N 3.23Å; E536-Q539 WeakPolarHBondContact O-CB 3.43Å; E536-Q539 PolarHBondContact O-N 3.1Å; F537-Q539 VanDerWaalsContact C-N 3.3Å; F537-Q539 PolarHBondContact O-N 2.79Å; Q539-S542 PolarHBondContact O-N 3.35Å; Q539-S543 WeakPolarHBondContact O-CB 3.37Å; Q539-S543 PolarHBondContact O-N 3.35Å; Q539-S543 VanDerWaalsContact O-N 3.12Å
540A94.5Very high96.1Very high4 Ų434.3 Ų34.33%0.03318%0.18CC..Hα-helixtrans-73.9-37.5174.500000113.8I354 R357 L358 E536 F537 S542 S543I354-A540 HydrophobicContact CG2-CB 3.92Å; R357-A540 HydrophobicContact CB-CB 4.39Å; R357-A540 WeakPolarHBondContact CD-O 3.38Å; R357-A540 HydrophobicContact CG-CB 4.41Å; R357-A540 PolarHBondContact NH1-O 2.91Å; L358-A540 HydrophobicContact CD1-CB 4.07Å; L358-A540 HydrophobicContact CD2-CB 3.3Å; L358-A540 HydrophobicContact CG-CB 3.31Å; E536-A540 PolarHBondContact O-N 3.09Å; E536-A540 VanDerWaalsContact O-N 3.13Å; F537-A540 PolarHBondContact O-N 2.88Å; A540-S542 PolarHBondContact O-N 3.22Å; A540-S543 PolarHBondContact O-N 2.82Å; A540-S543 PolarHBondContact O-OG 3.11Å
541A95.7Very high96Very high0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-59.1-28.717500000111.6V345 I354 F537 G549 I550V345-A541 HydrophobicContact CG1-CB 3.46Å; V345-A541 VanDerWaalsContact CG1-CB 3.46Å; I354-A541 HydrophobicContact CG2-CB 4.21Å; F537-A541 PolarHBondContact O-N 2.91Å; A541-G549 CarbonylContact O-C 3.58Å; A541-G549 WeakPolarHBondContact O-CA 3.44Å; A541-I550 HydrophobicContact CB-CD1 3.98Å; A541-I550 HydrophobicContact CB-CG1 4.17Å; A541-I550 PolarHBondContact O-N 3.08Å
542S95.4Very high95.9Very high28 Ų2836.4 Ų36.420%0.19620%0.196CC..THydrogen-bonded Turntrans-102.92.9-179.2-46.40000114.2F538 Q539 A540F538-S542 VanDerWaalsContact O-CB 3.31Å; F538-S542 WeakPolarHBondContact O-CB 3.15Å; F538-S542 PolarHBondContact O-N 3.41Å; F538-S542 PolarHBondContact O-OG 3.25Å; Q539-S542 PolarHBondContact O-N 3.35Å; A540-S542 PolarHBondContact O-N 3.22Å
543S94.1Very high95.8Very high75 Ų7530.8 Ų30.852%0.52417%0.171SC..SBendtrans-82.8-13.1-17266.80000114.7R357 Q539 A540R357-S543 VanDerWaalsContact CD-OG 3.24Å; R357-S543 WeakPolarHBondContact CD-OG 3.49Å; Q539-S543 WeakPolarHBondContact O-CB 3.37Å; Q539-S543 PolarHBondContact O-N 3.35Å; Q539-S543 VanDerWaalsContact O-N 3.12Å; A540-S543 PolarHBondContact O-N 2.82Å; A540-S543 PolarHBondContact O-OG 3.11Å
544R94.9Very high95.6Very high57 Ų5734.5 Ų34.522%0.21519%0.188CC..SBendtrans-121.2151.4178.1-64.8-177.364.6-175.30109.8E253 D256 R357 G549E253-R544 IonicContact OE1-CZ 3.66Å; E253-R544 IonicContact OE1-NH1 3.39Å; E253-R544 PolarHBondContact OE1-NH1 3.25Å; D256-R544 IonicContact OD1-CZ 2.97Å; D256-R544 IonicContact OD1-NH1 3.39Å; D256-R544 PolarHBondContact OD1-NH1 3.29Å; D256-R544 IonicContact OD1-NH2 3.14Å; D256-R544 PolarHBondContact OD1-NH2 3.42Å; D256-R544 IonicContact OD2-NH2 2.8Å; D256-R544 PolarHBondContact OD2-NH2 3.08Å; D256-R544 VanDerWaalsContact OD2-NH2 3.12Å; R357-R544 VanDerWaalsContact CZ-CD 3.48Å; R544-G549 VanDerWaalsContact O-CA 3.32Å; R544-G549 WeakPolarHBondContact O-CA 3.49Å
545P95.2Very high95.5Very high90 Ų9034.5 Ų34.558%0.58419%0.189SC*.  trans-66.8163.1174.529.6-35.6000111.4Y548 G549P545-Y548 HydrophobicContact CG-CD2 4.4Å; P545-Y548 WeakPolarHBondContact O-CA 3.37Å; P545-Y548 WeakPolarHBondContact O-CB 3.43Å; P545-Y548 WeakPolarHBondContact O-CD2 3.24Å; P545-Y548 PolarHBondContact O-N 3.17Å; P545-G549 PolarHBondContact O-N 2.82Å
546A95Very high95.4Very high23 Ų2330.9 Ų30.919%0.1917%0.173CC..THydrogen-bonded Turntrans-58.1143.8169.100000111L270 C551L270-A546 HydrophobicContact CD1-CB 4.05Å; L270-A546 HydrophobicContact CD2-CB 4.38Å; A546-C551 HydrophobicContact CB-CB 3.73Å
547P95.6Very high95.4Very high27 Ų2729.2 Ų29.218%0.17517%0.165CC..THydrogen-bonded Turncis-87.74.93.136.1-36.2000114.4E260 A263E260-P547 HydrophobicContact CG-CG 4.46Å; A263-P547 HydrophobicContact CB-CB 3.71Å; A263-P547 HydrophobicContact CB-CG 4.23Å
548Y95.6Very high95.5Very high39 Ų3929.1 Ų29.115%0.15316%0.164CC..THydrogen-bonded Turntrans-79.2-25.7-174.7-41.6-67.4000112.7D256 Y259 E260 R357 P545D256-Y548 HydrophobicContact CB-CD1 4.23Å; D256-Y548 HydrophobicContact CB-CE1 3.46Å; D256-Y548 VanDerWaalsContact CB-CE1 3.46Å; Y259-Y548 AromaticContact CD2-CD1 3.89Å; Y259-Y548 HydrophobicContact CD2-CD1 3.89Å; Y259-Y548 AromaticContact CG-CD1 3.99Å; Y259-Y548 HydrophobicContact CG-CD1 3.99Å; E260-Y548 HydrophobicContact CG-CE1 4.26Å; E260-Y548 PolarHBondContact OE1-OH 3.28Å; R357-Y548 VanDerWaalsContact CZ-O 3.29Å; R357-Y548 PolarHBondContact NH1-O 3.32Å; R357-Y548 PolarHBondContact NH2-O 2.95Å; P545-Y548 HydrophobicContact CG-CD2 4.4Å; P545-Y548 WeakPolarHBondContact O-CA 3.37Å; P545-Y548 WeakPolarHBondContact O-CB 3.43Å; P545-Y548 WeakPolarHBondContact O-CD2 3.24Å; P545-Y548 PolarHBondContact O-N 3.17Å
549G95.8Very high95.4Very high0 Ų029.2 Ų29.20%017%0.165CC..SBendtrans-127.3173.2174.100000111.9A541 R544 P545 C551A541-G549 CarbonylContact O-C 3.58Å; A541-G549 WeakPolarHBondContact O-CA 3.44Å; R544-G549 VanDerWaalsContact O-CA 3.32Å; R544-G549 WeakPolarHBondContact O-CA 3.49Å; P545-G549 PolarHBondContact O-N 2.82Å; G549-C551 PolarHBondContact O-N 3.14Å
550I97.1Very high95.5Very high2 Ų225.1 Ų25.11%0.0115%0.145CC..  trans-60.4127.1175.3-56.7178.3000107.1F339 I344 V345 L456 V459 F538 A541 P552F339-I550 HydrophobicContact CB-CG2 3.48Å; F339-I550 VanDerWaalsContact CB-CG2 3.48Å; F339-I550 HydrophobicContact CD1-CG2 3.99Å; F339-I550 HydrophobicContact CG-CG2 3.85Å; I344-I550 HydrophobicContact CD1-CG1 3.85Å; I344-I550 HydrophobicContact CG1-CG1 4.07Å; V345-I550 HydrophobicContact CG1-CD1 3.91Å; V345-I550 HydrophobicContact CG1-CG1 4.32Å; V345-I550 HydrophobicContact CG2-CD1 4.27Å; L456-I550 HydrophobicContact CD2-CD1 4.06Å; V459-I550 HydrophobicContact CG1-CB 4.11Å; V459-I550 HydrophobicContact CG1-CD1 4.49Å; V459-I550 HydrophobicContact CG1-CG2 3.87Å; F538-I550 HydrophobicContact CD1-CD1 4.19Å; F538-I550 HydrophobicContact CE1-CD1 4.17Å; A541-I550 HydrophobicContact CB-CD1 3.98Å; A541-I550 HydrophobicContact CB-CG1 4.17Å; A541-I550 PolarHBondContact O-N 3.08Å; I550-P552 WeakPolarHBondContact O-CD 3.11Å
551C96.5Very high95.6Very high13 Ų1324.9 Ų24.99%0.08814%0.144CC..  trans-69.7125.7-177.7-1710000110.4P340 A546 G549 Y553P340-C551 HydrophobicContact CB-CB 3.57Å; P340-C551 HydrophobicContact CG-CB 3.78Å; P340-C551 VanDerWaalsContact O-CB 3.22Å; P340-C551 WeakPolarHBondContact O-CB 3.29Å; P340-C551 PolarHBondContact O-N 3.08Å; A546-C551 HydrophobicContact CB-CB 3.73Å; G549-C551 PolarHBondContact O-N 3.14Å; C551-Y553 PolarHBondContact O-N 3.15Å; C551-Y553 VanDerWaalsContact O-N 3.15Å
552P95.6Very high95.7Very high59 Ų5924.9 Ų24.938%0.38314%0.144SC..  trans-63.6115.9170.4-19.231.7000111.1V459 Q460 I550V459-P552 VanDerWaalsContact CG2-CA 3.4Å; V459-P552 HydrophobicContact CG2-CB 3.73Å; V459-P552 HydrophobicContact CG2-CG 3.8Å; Q460-P552 HydrophobicContact CB-CB 4.19Å; Q460-P552 HydrophobicContact CB-CG 4.32Å; I550-P552 WeakPolarHBondContact O-CD 3.11Å
553Y95.7Very high95.8Very high11 Ų1123.8 Ų23.84%0.04314%0.136CC..  trans-135.6119.4169.9-174.9-139.3000109.8P271 I274 Y324 S328 L336 C551 S555 S556P271-Y553 HydrophobicContact CB-CD2 3.62Å; P271-Y553 HydrophobicContact CB-CE2 3.75Å; P271-Y553 HydrophobicContact CB-CG 4.13Å; P271-Y553 HydrophobicContact CG-CD2 3.73Å; P271-Y553 HydrophobicContact CG-CE2 4.37Å; P271-Y553 HydrophobicContact CG-CG 3.88Å; I274-Y553 HydrophobicContact CD1-CD2 4.31Å; I274-Y553 HydrophobicContact CD1-CE2 3.56Å; I274-Y553 HydrophobicContact CG1-CE2 4.03Å; Y324-Y553 HydrophobicContact CD1-CD1 4.16Å; Y324-Y553 HydrophobicContact CD1-CE1 4.33Å; S328-Y553 WeakPolarHBondContact CA-OH 3.14Å; L336-Y553 HydrophobicContact CD1-CD1 4.31Å; L336-Y553 HydrophobicContact CD1-CE1 3.77Å; L336-Y553 HydrophobicContact CG-CE1 4.48Å; C551-Y553 PolarHBondContact O-N 3.15Å; C551-Y553 VanDerWaalsContact O-N 3.15Å; Y553-S555 PolarHBondContact O-N 2.81Å; Y553-S556 VanDerWaalsContact CD1-OG 3.24Å; Y553-S556 WeakPolarHBondContact CD1-OG 3.35Å; Y553-S556 WeakPolarHBondContact O-CB 3.22Å; Y553-S556 PolarHBondContact O-N 2.83Å
554Q91.9Very high96Very high80 Ų8020.2 Ų20.237%0.37411%0.111SC..THydrogen-bonded Turntrans-62.1-29.9-169.8-176.560.923.300113.1I274 P276 R557I274-Q554 HydrophobicContact CD1-CB 4.16Å; I274-Q554 HydrophobicContact CG1-CB 4.22Å; P276-Q554 HydrophobicContact CB-CG 4.32Å; Q554-R557 PolarHBondContact O-NH1 2.94Å
555S94.5Very high96.2Very high3 Ų317.9 Ų17.92%0.02110%0.102CC..THydrogen-bonded Turntrans-86.6-4.2179-59.10000113.4I274 P332 V334 M335 L336 Y553I274-S555 WeakPolarHBondContact CD1-OG 3.24Å; P332-S555 PolarHBondContact O-OG 3.13Å; V334-S555 WeakPolarHBondContact O-CB 3.48Å; M335-S555 CarbonylContact C-O 3.56Å; M335-S555 WeakPolarHBondContact CA-O 3.34Å; L336-S555 PolarHBondContact N-O 3.33Å; Y553-S555 PolarHBondContact O-N 2.81Å
556S96.1Very high96.3Very high0 Ų013.6 Ų13.60%08%0.075CC..BIsolated β-bridgetrans-84138.2177-75.60000112.7Q338 F339 Y553Q338-S556 WeakPolarHBondContact O-CB 3.5Å; Q338-S556 PolarHBondContact O-OG 2.87Å; F339-S556 VanDerWaalsContact CE1-CB 3.44Å; F339-S556 WeakPolarHBondContact CZ-O 3.27Å; Y553-S556 VanDerWaalsContact CD1-OG 3.24Å; Y553-S556 WeakPolarHBondContact CD1-OG 3.35Å; Y553-S556 WeakPolarHBondContact O-CB 3.22Å; Y553-S556 PolarHBondContact O-N 2.83Å
557R96Very high96.4Very high13 Ų1315 Ų155%0.0498%0.076CC..  trans-132.1156.2165.5-61.3-61.2179.8-85.1-2106.8L336 N337 Q338 H457 Q554 L609 F610L336-R557 PolarHBondContact O-N 2.67Å; L336-R557 VanDerWaalsContact O-O 3.07Å; N337-R557 CarbonylContact C-O 3.49Å; N337-R557 WeakPolarHBondContact CA-O 3.2Å; Q338-R557 PolarHBondContact N-O 3.07Å; H457-R557 PolarHBondContact CD2-NE 2.84Å; H457-R557 PolarHBondContact CE1-NH2 2.92Å; H457-R557 VanDerWaalsContact CE1-NH2 3.26Å; H457-R557 PolarHBondContact NE2-NE 3.1Å; H457-R557 PolarHBondContact NE2-NH2 3.01Å; H457-R557 VanDerWaalsContact NE2-NH2 3.13Å; H457-R557 VanDerWaalsContact O-CD 3.23Å; H457-R557 WeakPolarHBondContact O-CD 3.27Å; H457-R557 PolarHBondContact O-NE 3.44Å; H457-R557 PolarHBondContact O-NH1 2.77Å; Q554-R557 PolarHBondContact O-NH1 2.94Å; R557-L609 HydrophobicContact CB-CB 4.11Å; R557-L609 HydrophobicContact CB-CD1 4.26Å; R557-L609 HydrophobicContact CB-CD2 4.12Å; R557-L609 HydrophobicContact CB-CG 4.4Å; R557-L609 VanDerWaalsContact CD-O 3.32Å; R557-L609 WeakPolarHBondContact CD-O 3.5Å; R557-L609 HydrophobicContact CG-CB 4.09Å; R557-L609 HydrophobicContact CG-CD2 4.49Å; R557-L609 PolarHBondContact NE-O 3.27Å; R557-F610 HydrophobicContact CB-CE1 3.81Å; R557-F610 HydrophobicContact CB-CZ 4.06Å; R557-F610 HydrophobicContact CG-CD1 3.88Å; R557-F610 HydrophobicContact CG-CE1 3.57Å; R557-F610 HydrophobicContact CG-CZ 4.28Å
558A96.3Very high96.4Very high0 Ų014.7 Ų14.70%07%0.072CC..EExtended strand (participates in β ladder)trans-151.1152.4174.300000111.9F339 M455 L456 Y560F339-A558 HydrophobicContact CD2-CB 3.72Å; F339-A558 HydrophobicContact CE2-CB 3.94Å; M455-A558 CarbonylContact C-O 3.55Å; M455-A558 WeakPolarHBondContact CA-O 3.46Å; L456-A558 HydrophobicContact CB-CB 4.49Å; L456-A558 PolarHBondContact N-O 3.1Å; L456-A558 PolarHBondContact O-N 3.17Å; A558-Y560 HydrophobicContact CB-CD2 4.46Å; A558-Y560 HydrophobicContact CB-CE1 4.31Å; A558-Y560 HydrophobicContact CB-CE2 3.66Å
559I96.7Very high96.3Very high3 Ų314.9 Ų14.92%0.0158%0.078CC..EExtended strand (participates in β ladder)trans-113.7137.8166.464.3165.5000110W316 L454 M455 M605 L609W316-I559 HydrophobicContact CH2-CD1 3.95Å; W316-I559 HydrophobicContact CH2-CG1 3.98Å; W316-I559 HydrophobicContact CH2-CG2 3.94Å; W316-I559 HydrophobicContact CZ2-CD1 3.63Å; W316-I559 HydrophobicContact CZ2-CG1 3.91Å; L454-I559 CarbonylContact O-C 3.57Å; L454-I559 VanDerWaalsContact O-CA 3.25Å; L454-I559 WeakPolarHBondContact O-CA 3.36Å; M455-I559 HydrophobicContact CG-CG2 4.09Å; I559-M605 HydrophobicContact CG2-SD 3.93Å; I559-L609 HydrophobicContact CG2-CD1 3.7Å
560Y97.4Very high96.1Very high0 Ų022.9 Ų22.90%012%0.115CC..EExtended strand (participates in β ladder)trans-129.4132.6176.2-53.6-77.2000109.8E342 V345 T346 L454 L456 F538 A558 L585 N586E342-Y560 PolarHBondContact OE2-OH 3.32Å; V345-Y560 HydrophobicContact CG2-CE1 4.06Å; T346-Y560 HydrophobicContact CG2-CD1 3.88Å; T346-Y560 HydrophobicContact CG2-CE1 3.8Å; L454-Y560 PolarHBondContact N-O 3.48Å; L454-Y560 PolarHBondContact O-N 3.02Å; L456-Y560 HydrophobicContact CB-CD2 4.38Å; L456-Y560 HydrophobicContact CB-CE2 3.78Å; L456-Y560 HydrophobicContact CD2-CE2 3.92Å; F538-Y560 HydrophobicContact CE1-CD2 4.04Å; F538-Y560 AromaticContact CE1-CE2 3.82Å; F538-Y560 HydrophobicContact CE1-CE2 3.82Å; F538-Y560 AromaticContact CZ-CD2 3.67Å; F538-Y560 HydrophobicContact CZ-CD2 3.67Å; F538-Y560 AromaticContact CZ-CE2 3.94Å; F538-Y560 HydrophobicContact CZ-CE2 3.94Å; F538-Y560 HydrophobicContact CZ-CG 4.35Å; A558-Y560 HydrophobicContact CB-CD2 4.46Å; A558-Y560 HydrophobicContact CB-CE1 4.31Å; A558-Y560 HydrophobicContact CB-CE2 3.66Å; Y560-L585 HydrophobicContact CG-CD2 4.48Å; Y560-N586 WeakPolarHBondContact CA-O 3.32Å
561A97Very high95.5Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-85.5115.5163.700000109.1R451 Y452 M453 L585 N586 P589R451-A561 HydrophobicContact CG-CB 3.9Å; Y452-A561 CarbonylContact O-C 3.28Å; Y452-A561 WeakPolarHBondContact O-CA 3.24Å; M453-A561 HydrophobicContact CE-CB 4.33Å; M453-A561 HydrophobicContact SD-CB 3.84Å; A561-L585 CarbonylContact O-C 3.57Å; A561-L585 WeakPolarHBondContact O-CA 3.25Å; A561-N586 HydrophobicContact CB-CB 4.29Å; A561-N586 PolarHBondContact N-O 2.93Å; A561-N586 PolarHBondContact O-N 3.45Å; A561-P589 HydrophobicContact CB-CB 3.57Å; A561-P589 HydrophobicContact CB-CG 3.6Å
562V97.7Very high95Very high0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-91.9121.717161.70000109.4R451 Y452 L454 F534 I582 L585R451-V562 WeakPolarHBondContact CA-O 3.3Å; Y452-V562 PolarHBondContact N-O 3.13Å; Y452-V562 PolarHBondContact O-N 2.84Å; L454-V562 HydrophobicContact CD1-CB 4.01Å; L454-V562 HydrophobicContact CD1-CG1 3.86Å; L454-V562 HydrophobicContact CD2-CG1 4.14Å; L454-V562 HydrophobicContact CG-CB 4.37Å; L454-V562 HydrophobicContact CG-CG1 3.85Å; F534-V562 HydrophobicContact CD1-CG1 4.19Å; F534-V562 HydrophobicContact CD1-CG2 4.17Å; F534-V562 HydrophobicContact CE1-CB 4.2Å; F534-V562 HydrophobicContact CE1-CG1 3.54Å; F534-V562 HydrophobicContact CE1-CG2 3.65Å; F534-V562 HydrophobicContact CE2-CG1 4.05Å; F534-V562 HydrophobicContact CZ-CG1 3.44Å; F534-V562 VanDerWaalsContact CZ-CG1 3.44Å; F534-V562 HydrophobicContact CZ-CG2 4.38Å; V562-I582 HydrophobicContact CG2-CD1 4.48Å; V562-I582 HydrophobicContact CG2-CG1 4.34Å; V562-I582 HydrophobicContact CG2-CG2 3.93Å; V562-L585 HydrophobicContact CB-CG 4.14Å; V562-L585 HydrophobicContact CG2-CD1 4.03Å; V562-L585 HydrophobicContact CG2-CG 4.17Å
563D97.5Very high94.6Very high5 Ų536.3 Ų36.33%0.02718%0.181CC..EExtended strand (participates in β ladder)trans-100.3124.7177.7-68.4-2000108.4R451 R473 L583 E584 N586R451-D563 IonicContact CZ-OD1 2.97Å; R451-D563 VanDerWaalsContact CZ-OD1 3.31Å; R451-D563 IonicContact CZ-OD2 2.87Å; R451-D563 IonicContact NE-OD1 3.5Å; R451-D563 PolarHBondContact NE-OD1 2.89Å; R451-D563 IonicContact NE-OD2 3.66Å; R451-D563 VanDerWaalsContact NH2-CG 3.34Å; R451-D563 IonicContact NH2-OD1 3.5Å; R451-D563 PolarHBondContact NH2-OD1 2.83Å; R451-D563 VanDerWaalsContact NH2-OD1 3.08Å; R451-D563 IonicContact NH2-OD2 2.99Å; R451-D563 PolarHBondContact NH2-OD2 3.1Å; R473-D563 IonicContact CZ-OD1 2.7Å; R473-D563 IonicContact CZ-OD2 3.22Å; R473-D563 VanDerWaalsContact CZ-OD2 3.31Å; R473-D563 IonicContact NH1-OD1 3.26Å; R473-D563 IonicContact NH1-OD2 3.43Å; R473-D563 PolarHBondContact NH1-OD2 3.29Å; R473-D563 IonicContact NH2-OD1 3.97Å; R473-D563 PolarHBondContact NH2-OD1 3.23Å; R473-D563 IonicContact NH2-OD2 3.44Å; R473-D563 PolarHBondContact NH2-OD2 3.21Å; D563-L583 WeakPolarHBondContact O-CB 3.48Å; D563-L583 PolarHBondContact O-N 2.49Å; D563-E584 HydrophobicContact CB-CG 3.68Å; D563-E584 PolarHBondContact N-O 3.33Å; D563-E584 PolarHBondContact O-N 3.2Å; D563-N586 PolarHBondContact OD2-ND2 3.49Å
564L97.7Very high94.2Very high0 Ų038.1 Ų38.10%020%0.203CC..EExtended strand (participates in β ladder)trans-142.4157.8-177.170.192.8000112.4D449 I450 Y452 L530 F534 Q581D449-L564 CarbonylContact C-O 3.59Å; D449-L564 WeakPolarHBondContact CA-O 3.46Å; D449-L564 WeakPolarHBondContact CB-O 3.32Å; I450-L564 HydrophobicContact CB-CD1 4.15Å; I450-L564 HydrophobicContact CB-CG 4.28Å; I450-L564 HydrophobicContact CD1-CD1 3.75Å; I450-L564 PolarHBondContact N-O 2.63Å; I450-L564 PolarHBondContact O-N 2.8Å; Y452-L564 HydrophobicContact CD2-CD2 4.27Å; L530-L564 HydrophobicContact CD1-CD1 4.29Å; L530-L564 HydrophobicContact CD1-CD2 4.33Å; L530-L564 HydrophobicContact CD2-CD1 3.5Å; L530-L564 HydrophobicContact CD2-CD2 3.87Å; L530-L564 HydrophobicContact CD2-CG 4.35Å; F534-L564 HydrophobicContact CE1-CD2 3.6Å; F534-L564 HydrophobicContact CZ-CD2 3.39Å; L564-Q581 CarbonylContact C-O 3.57Å; L564-Q581 WeakPolarHBondContact CA-O 3.43Å; L564-Q581 WeakPolarHBondContact CB-O 3.08Å
565M98.3Very high94.2Very high7 Ų738.2 Ų38.23%0.03420%0.204CC..EExtended strand (participates in β ladder)trans-121.9167.3167.9-75.6-173.47800109.9L433 P436 K447 F448 D449 P580 Q581 L583L433-M565 HydrophobicContact CD1-CB 3.68Å; L433-M565 HydrophobicContact CD1-CG 4.45Å; L433-M565 HydrophobicContact CD1-SD 4.09Å; P436-M565 HydrophobicContact CB-CE 3.88Å; K447-M565 HydrophobicContact CB-CE 4.06Å; K447-M565 HydrophobicContact CD-CE 4.4Å; K447-M565 VanDerWaalsContact CE-CE 3.44Å; K447-M565 HydrophobicContact CG-CE 4.15Å; F448-M565 VanDerWaalsContact O-CE 3.26Å; F448-M565 WeakPolarHBondContact O-CE 3.03Å; F448-M565 WeakPolarHBondContact O-CG 3.44Å; D449-M565 HydrophobicContact CB-CG 3.84Å; M565-P580 CarbonylContact O-C 3.56Å; M565-Q581 PolarHBondContact N-O 3.5Å; M565-Q581 WeakPolarHBondContact O-CA 3.48Å; M565-Q581 WeakPolarHBondContact O-CB 3.48Å; M565-Q581 PolarHBondContact O-N 2.85Å; M565-L583 HydrophobicContact CB-CD1 4.41Å; M565-L583 HydrophobicContact CG-CD1 3.78Å; M565-L583 HydrophobicContact SD-CD1 4.12Å
566L98.3Very high94.1Very high1 Ų143 Ų431%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-104.3136167.9-58.9172.9000108.3P436 V437 I450 F514 W523 V526 L530 M578P436-L566 WeakPolarHBondContact CA-O 3.5Å; V437-L566 HydrophobicContact CB-CB 3.83Å; V437-L566 HydrophobicContact CG2-CB 3.46Å; V437-L566 VanDerWaalsContact CG2-CB 3.46Å; V437-L566 PolarHBondContact N-O 3.21Å; I450-L566 HydrophobicContact CD1-CD1 4.4Å; I450-L566 HydrophobicContact CD1-CG 4.28Å; F514-L566 HydrophobicContact CZ-CD1 4.26Å; W523-L566 HydrophobicContact CZ3-CD1 4.34Å; V526-L566 HydrophobicContact CG1-CD1 3.75Å; V526-L566 HydrophobicContact CG1-CD2 3.85Å; V526-L566 HydrophobicContact CG1-CG 4.47Å; L530-L566 HydrophobicContact CD2-CD2 4.08Å; L566-M578 HydrophobicContact CD1-SD 4.2Å
567K96.6Very high94.1Very high51 Ų5146.2 Ų46.222%0.22224%0.237CC..EExtended strand (participates in β ladder)trans-112.7154.2168.575.5176.3178.5-155.80110.5L433 C569 Q579 Q581L433-K567 HydrophobicContact CD2-CB 4.35Å; L433-K567 HydrophobicContact CD2-CD 4.19Å; K567-C569 WeakPolarHBondContact CE-SG 3.22Å; K567-Q579 HydrophobicContact CG-CB 3.96Å; K567-Q579 PolarHBondContact N-O 2.97Å; K567-Q579 PolarHBondContact O-N 3.49Å; K567-Q581 HydrophobicContact CB-CG 3.96Å; K567-Q581 VanDerWaalsContact CD-CD 3.4Å; K567-Q581 HydrophobicContact CD-CG 3.77Å; K567-Q581 VanDerWaalsContact CE-CD 3.41Å; K567-Q581 HydrophobicContact CG-CG 3.68Å; K567-Q581 VanDerWaalsContact NZ-CD 3.35Å
568W96.9Very high94.1Very high22 Ų2246.4 Ų46.48%0.08324%0.239CC..EExtended strand (participates in β ladder)trans-81.6138.5167.6-65.7112.1000110.6D435 V437 Y518 Y521 R576 M578D435-W568 PolarHBondContact O-N 3.44Å; D435-W568 WeakPolarHBondContact OD2-CB 3.45Å; V437-W568 HydrophobicContact CG1-CZ2 4.14Å; V437-W568 HydrophobicContact CG2-CD2 3.96Å; V437-W568 HydrophobicContact CG2-CE3 4.48Å; V437-W568 HydrophobicContact CG2-CG 4.29Å; V437-W568 HydrophobicContact CG2-CZ2 4.07Å; Y518-W568 HydrophobicContact CD1-CH2 4.22Å; Y518-W568 HydrophobicContact CD1-CZ2 4.19Å; Y518-W568 HydrophobicContact CE1-CH2 4.19Å; Y518-W568 AromaticContact CE1-CZ2 3.69Å; Y518-W568 HydrophobicContact CE1-CZ2 3.69Å; Y521-W568 HydrophobicContact CD2-CH2 4.29Å; Y521-W568 HydrophobicContact CE1-CZ3 4.04Å; Y521-W568 AromaticContact CE2-CH2 3.81Å; Y521-W568 HydrophobicContact CE2-CH2 3.81Å; Y521-W568 AromaticContact CE2-CZ3 3.92Å; Y521-W568 HydrophobicContact CE2-CZ3 3.92Å; Y521-W568 AromaticContact CZ-CZ3 3.61Å; W568-R576 VanDerWaalsContact CE2-NH1 3.31Å; W568-R576 HydrophobicContact CE3-CB 3.71Å; W568-R576 HydrophobicContact CZ3-CB 3.9Å; W568-M578 HydrophobicContact CE3-CG 3.87Å; W568-M578 HydrophobicContact CH2-CE 3.21Å; W568-M578 HydrophobicContact CH2-CG 3.8Å; W568-M578 HydrophobicContact CH2-SD 4.35Å; W568-M578 HydrophobicContact CZ2-CE 3.73Å; W568-M578 HydrophobicContact CZ3-CE 3.87Å; W568-M578 HydrophobicContact CZ3-CG 3.4Å; W568-M578 VanDerWaalsContact CZ3-CG 3.4Å; W568-M578 HydrophobicContact CZ3-SD 4.49Å
569C92.9Very high94.1Very high42 Ų4248.5 Ų48.528%0.28425%0.249SC..EExtended strand (participates in β ladder)trans-131.1158.8171.2-68.50000109.3K567 R576 I577 Q579K567-C569 WeakPolarHBondContact CE-SG 3.22Å; C569-R576 CarbonylContact O-C 3.59Å; C569-R576 WeakPolarHBondContact O-CA 3.49Å; C569-I577 PolarHBondContact N-O 3.24Å; C569-I577 PolarHBondContact O-N 3.1Å; C569-Q579 HydrophobicContact CB-CB 4.47Å
570Q90.5Very high94.1Very high168 Ų16848.8 Ų48.879%0.78525%0.251SS*.EExtended strand (participates in β ladder)trans-91.8126.4169.6-70.9-172.6-16.600109.6
571G85.9Confident94.1Very high17 Ų1748.8 Ų48.818%0.17525%0.251CS..  trans-74.6178.9169.100000112.2N573 G574 E575G571-N573 PolarHBondContact O-N 3.08Å; G571-G574 PolarHBondContact O-N 2.74Å; G571-G574 VanDerWaalsContact O-N 3.11Å; G571-E575 WeakPolarHBondContact CA-OE1 3.46Å; G571-E575 PolarHBondContact N-O 3.46Å
572Q85.3Confident94.1Very high195 Ų19548.9 Ų48.991%0.91125%0.251SS*.THydrogen-bonded Turntrans-64.5-25.5-174.3-66.3-178.71.400113
573N87.6Confident94Very high145 Ų14550.9 Ų50.978%0.77526%0.262SS*.THydrogen-bonded Turntrans-104.614.7179.8-48-58.3000112.2G571 E575G571-N573 PolarHBondContact O-N 3.08Å; N573-E575 VanDerWaalsContact C-N 3.29Å; N573-E575 WeakPolarHBondContact CA-OE2 3.28Å; N573-E575 WeakPolarHBondContact CB-OE2 3.29Å; N573-E575 PolarHBondContact N-OE2 2.93Å; N573-E575 PolarHBondContact O-N 3.06Å
574G87.8Confident93.9Very high49 Ų4952.3 Ų52.351%0.50527%0.269SS..SBendtrans80.23.1-179.500000114.7G571G571-G574 PolarHBondContact O-N 2.74Å; G571-G574 VanDerWaalsContact O-N 3.11Å
575E91.2Very high93.8Very high82 Ų8252.4 Ų52.438%0.38327%0.269SS..  trans-64.8146.2172.273.6-76.6-171.500111.2G571 N573 I577G571-E575 WeakPolarHBondContact CA-OE1 3.46Å; G571-E575 PolarHBondContact N-O 3.46Å; N573-E575 VanDerWaalsContact C-N 3.29Å; N573-E575 WeakPolarHBondContact CA-OE2 3.28Å; N573-E575 WeakPolarHBondContact CB-OE2 3.29Å; N573-E575 PolarHBondContact N-OE2 2.93Å; N573-E575 PolarHBondContact O-N 3.06Å; E575-I577 HydrophobicContact CG-CD1 4.41Å; E575-I577 HydrophobicContact CG-CG1 4.09Å
576R93.6Very high93.6Very high104 Ų10453.6 Ų53.639%0.39228%0.275SS..EExtended strand (participates in β ladder)trans-78.9132.2172.9-64.3-170.787-169.717.1109.4D435 Y521 W568 C569D435-R576 IonicContact OD1-NH2 3.81Å; D435-R576 PolarHBondContact OD1-NH2 2.73Å; D435-R576 IonicContact OD2-CZ 3.21Å; D435-R576 IonicContact OD2-NH2 3.31Å; D435-R576 PolarHBondContact OD2-NH2 3.36Å; Y521-R576 WeakPolarHBondContact CE1-O 3.34Å; Y521-R576 PolarHBondContact OH-O 2.94Å; W568-R576 VanDerWaalsContact CE2-NH1 3.31Å; W568-R576 HydrophobicContact CE3-CB 3.71Å; W568-R576 HydrophobicContact CZ3-CB 3.9Å; C569-R576 CarbonylContact O-C 3.59Å; C569-R576 WeakPolarHBondContact O-CA 3.49Å
577I94.4Very high93.2Very high66 Ų6655.4 Ų55.434%0.33828%0.283SS..EExtended strand (participates in β ladder)trans-117.6134175.4-58.7176.7000107.6C569 E575 Q579C569-I577 PolarHBondContact N-O 3.24Å; C569-I577 PolarHBondContact O-N 3.1Å; E575-I577 HydrophobicContact CG-CD1 4.41Å; E575-I577 HydrophobicContact CG-CG1 4.09Å; I577-Q579 PolarHBondContact O-N 2.82Å
578M96.4Very high92.6Very high17 Ų1753.4 Ų53.48%0.08428%0.276CS..EExtended strand (participates in β ladder)trans-79.9112.7169.4-65.9-175.2178.400108.8V437 F514 Y518 Y521 V526 L566 W568V437-M578 HydrophobicContact CG1-CE 3.91Å; V437-M578 HydrophobicContact CG1-SD 4.47Å; V437-M578 HydrophobicContact CG2-CB 4.47Å; V437-M578 HydrophobicContact CG2-CE 4.34Å; V437-M578 HydrophobicContact CG2-CG 3.87Å; V437-M578 HydrophobicContact CG2-SD 4.22Å; F514-M578 HydrophobicContact CE1-CE 4.17Å; F514-M578 HydrophobicContact CE1-SD 4.18Å; F514-M578 HydrophobicContact CE2-CE 4.35Å; F514-M578 HydrophobicContact CZ-CE 3.54Å; F514-M578 HydrophobicContact CZ-SD 3.57Å; F514-M578 VanDerWaalsContact CZ-SD 3.57Å; Y518-M578 HydrophobicContact CD1-CE 4.02Å; Y518-M578 HydrophobicContact CD2-CE 3.81Å; Y518-M578 HydrophobicContact CE2-CE 4.28Å; Y518-M578 HydrophobicContact CG-CE 3.65Å; Y521-M578 HydrophobicContact CD1-CE 4.34Å; Y521-M578 HydrophobicContact CD1-CG 4Å; Y521-M578 HydrophobicContact CD1-SD 4.19Å; Y521-M578 HydrophobicContact CD2-CE 3.8Å; Y521-M578 HydrophobicContact CE1-CG 4.28Å; Y521-M578 HydrophobicContact CE2-CE 4.41Å; Y521-M578 HydrophobicContact CG-CE 3.76Å; Y521-M578 HydrophobicContact CG-CG 4.36Å; Y521-M578 HydrophobicContact CG-SD 4.02Å; V526-M578 HydrophobicContact CG2-SD 4.04Å; L566-M578 HydrophobicContact CD1-SD 4.2Å; W568-M578 HydrophobicContact CE3-CG 3.87Å; W568-M578 HydrophobicContact CH2-CE 3.21Å; W568-M578 HydrophobicContact CH2-CG 3.8Å; W568-M578 HydrophobicContact CH2-SD 4.35Å; W568-M578 HydrophobicContact CZ2-CE 3.73Å; W568-M578 HydrophobicContact CZ3-CE 3.87Å; W568-M578 HydrophobicContact CZ3-CG 3.4Å; W568-M578 VanDerWaalsContact CZ3-CG 3.4Å; W568-M578 HydrophobicContact CZ3-SD 4.49Å
579Q95.7Very high92.1Very high44 Ų4452.8 Ų52.821%0.20627%0.274CS..EExtended strand (participates in β ladder)trans-102.5123179.4-177644000109.6D365 K567 C569 I577D365-Q579 HydrophobicContact CB-CG 4.39Å; D365-Q579 WeakPolarHBondContact O-CG 3.31Å; K567-Q579 HydrophobicContact CG-CB 3.96Å; K567-Q579 PolarHBondContact N-O 2.97Å; K567-Q579 PolarHBondContact O-N 3.49Å; C569-Q579 HydrophobicContact CB-CB 4.47Å; I577-Q579 PolarHBondContact O-N 2.82Å
580P96.9Very high91.8Very high9 Ų954 Ų546%0.05828%0.278CS..EExtended strand (participates in β ladder)trans-54.8141.9170.9-27.937.3000111.7W366 L530 M565W366-P580 WeakPolarHBondContact CA-O 3.43Å; W366-P580 HydrophobicContact CB-CB 4.34Å; L530-P580 HydrophobicContact CD2-CB 3.6Å; L530-P580 HydrophobicContact CD2-CG 3.68Å; M565-P580 CarbonylContact O-C 3.56Å
581Q97.5Very high91.8Very high0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-133.399.3174.3-63-64.6-8300109.2D365 W366 P368 L433 L564 M565 K567 L583D365-Q581 PolarHBondContact O-NE2 2.84Å; W366-Q581 CarbonylContact O-C 3.54Å; W366-Q581 VanDerWaalsContact O-CA 3.22Å; W366-Q581 WeakPolarHBondContact O-CA 3.49Å; P368-Q581 HydrophobicContact CG-CB 4.13Å; L433-Q581 HydrophobicContact CD1-CB 3.94Å; L433-Q581 HydrophobicContact CD1-CG 3.99Å; L433-Q581 HydrophobicContact CD2-CB 4.38Å; L433-Q581 HydrophobicContact CD2-CG 3.83Å; L564-Q581 CarbonylContact C-O 3.57Å; L564-Q581 WeakPolarHBondContact CA-O 3.43Å; L564-Q581 WeakPolarHBondContact CB-O 3.08Å; M565-Q581 PolarHBondContact N-O 3.5Å; M565-Q581 WeakPolarHBondContact O-CA 3.48Å; M565-Q581 WeakPolarHBondContact O-CB 3.48Å; M565-Q581 PolarHBondContact O-N 2.85Å; K567-Q581 HydrophobicContact CB-CG 3.96Å; K567-Q581 VanDerWaalsContact CD-CD 3.4Å; K567-Q581 HydrophobicContact CD-CG 3.77Å; K567-Q581 VanDerWaalsContact CE-CD 3.41Å; K567-Q581 HydrophobicContact CG-CG 3.68Å; K567-Q581 VanDerWaalsContact NZ-CD 3.35Å; Q581-L583 PolarHBondContact O-N 2.9Å
582I97.5Very high92Very high2 Ų247.5 Ų47.51%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-67.1124.1173.9-61.4-178.3000108.2W366 P368 A533 F534 V562 L585W366-I582 HydrophobicContact CD2-CD1 4.37Å; W366-I582 HydrophobicContact CE3-CB 4.26Å; W366-I582 HydrophobicContact CE3-CD1 3.65Å; W366-I582 HydrophobicContact CE3-CG1 4.05Å; W366-I582 HydrophobicContact CZ3-CD1 3.9Å; W366-I582 PolarHBondContact O-N 3.19Å; P368-I582 WeakPolarHBondContact CD-O 3.28Å; A533-I582 HydrophobicContact CB-CD1 4.31Å; F534-I582 HydrophobicContact CD1-CD1 3.92Å; F534-I582 HydrophobicContact CE1-CD1 4.24Å; F534-I582 HydrophobicContact CE1-CG1 4.4Å; V562-I582 HydrophobicContact CG2-CD1 4.48Å; V562-I582 HydrophobicContact CG2-CG1 4.34Å; V562-I582 HydrophobicContact CG2-CG2 3.93Å; I582-L585 HydrophobicContact CG2-CD1 3.8Å
583L96.1Very high92.3Very high42 Ų4240.3 Ų40.322%0.2222%0.216CC..EExtended strand (participates in β ladder)trans-99.2-37.9-177.5-58.5-173.9000112.5P368 L433 D563 M565 Q581P368-L583 HydrophobicContact CG-CD2 4.16Å; L433-L583 HydrophobicContact CD1-CD2 4.39Å; D563-L583 WeakPolarHBondContact O-CB 3.48Å; D563-L583 PolarHBondContact O-N 2.49Å; M565-L583 HydrophobicContact CB-CD1 4.41Å; M565-L583 HydrophobicContact CG-CD1 3.78Å; M565-L583 HydrophobicContact SD-CD1 4.12Å; Q581-L583 PolarHBondContact O-N 2.9Å
584E94.9Very high92.5Very high36 Ų3633.6 Ų33.617%0.16818%0.18CC..EExtended strand (participates in β ladder)trans-169.4161179.355.9-176.1-144.200111K348 D563 N586K348-E584 IonicContact NZ-OE2 2.93Å; K348-E584 PolarHBondContact NZ-OE2 3.3Å; D563-E584 HydrophobicContact CB-CG 3.68Å; D563-E584 PolarHBondContact N-O 3.33Å; D563-E584 PolarHBondContact O-N 3.2Å; E584-N586 PolarHBondContact OE1-ND2 2.79Å
585L95.4Very high92.8Very high2 Ų231.7 Ų31.71%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-118.8132.1163.8-79.480.5000109.1V345 T346 L351 L454 F537 F538 Y560 A561 V562 I582V345-L585 WeakPolarHBondContact O-CB 3.5Å; T346-L585 WeakPolarHBondContact CA-O 3.48Å; L351-L585 HydrophobicContact CD1-CD1 3.58Å; L454-L585 HydrophobicContact CD1-CD2 4.45Å; F537-L585 HydrophobicContact CD1-CD1 4.21Å; F537-L585 HydrophobicContact CD1-CD2 4.22Å; F537-L585 HydrophobicContact CE1-CD1 3.68Å; F537-L585 HydrophobicContact CE1-CD2 3.69Å; F537-L585 HydrophobicContact CE1-CG 4.33Å; F537-L585 HydrophobicContact CZ-CD1 4.26Å; F538-L585 HydrophobicContact CE2-CD2 3.73Å; F538-L585 HydrophobicContact CZ-CD2 3.67Å; Y560-L585 HydrophobicContact CG-CD2 4.48Å; A561-L585 CarbonylContact O-C 3.57Å; A561-L585 WeakPolarHBondContact O-CA 3.25Å; V562-L585 HydrophobicContact CB-CG 4.14Å; V562-L585 HydrophobicContact CG2-CD1 4.03Å; V562-L585 HydrophobicContact CG2-CG 4.17Å; I582-L585 HydrophobicContact CG2-CD1 3.8Å
586N93.7Very high92.9Very high31 Ų3133.4 Ų33.417%0.16617%0.17CC..EExtended strand (participates in β ladder)trans-110.2122.3-179.4-65.5-72.3000109.8R451 Y560 A561 D563 E584R451-N586 PolarHBondContact NH2-ND2 2.86Å; Y560-N586 WeakPolarHBondContact CA-O 3.32Å; A561-N586 HydrophobicContact CB-CB 4.29Å; A561-N586 PolarHBondContact N-O 2.93Å; A561-N586 PolarHBondContact O-N 3.45Å; D563-N586 PolarHBondContact OD2-ND2 3.49Å; E584-N586 PolarHBondContact OE1-ND2 2.79Å
587F91.6Very high92.9Very high40 Ų4032.5 Ų32.518%0.17517%0.168CC..EExtended strand (participates in β ladder)trans-73.1142165170.8-110.1000109.9Y318 N337 Q338 T346Y318-F587 WeakPolarHBondContact O-CE1 3.38Å; N337-F587 WeakPolarHBondContact O-CE2 3.38Å; Q338-F587 HydrophobicContact CG-CD2 4.43Å; Q338-F587 HydrophobicContact CG-CE1 4.01Å; Q338-F587 HydrophobicContact CG-CE2 3.49Å; Q338-F587 VanDerWaalsContact CG-CE2 3.49Å; Q338-F587 HydrophobicContact CG-CZ 3.23Å; T346-F587 HydrophobicContact CG2-CB 3.97Å
588S82.8Confident92.9Very high8 Ų831.3 Ų31.36%0.05616%0.16CC..SBendtrans45.758.9177.6-152.20000113.3M291 Y318M291-S588 WeakPolarHBondContact CE-OG 3.4Å; Y318-S588 WeakPolarHBondContact CD2-OG 3.45Å
589P85.8Confident92.8Very high9 Ų934.2 Ų34.26%0.05818%0.18CC..  trans-64.7159.8-177.731.1-37.9000111.4M453 A561 C591M453-P589 HydrophobicContact CE-CB 4.44Å; M453-P589 HydrophobicContact CE-CG 3.81Å; M453-P589 HydrophobicContact SD-CG 3.87Å; A561-P589 HydrophobicContact CB-CB 3.57Å; A561-P589 HydrophobicContact CB-CG 3.6Å; P589-C591 PolarHBondContact O-N 3.25Å; P589-C591 PolarHBondContact O-SG 2.88Å; P589-C591 VanDerWaalsContact O-SG 3.38Å
590D86.4Confident92.8Very high69 Ų6936.1 Ų36.137%0.36919%0.192SC..  trans-61113.2168.1177.214.5000110.5Q293 A592Q293-D590 PolarHBondContact NE2-OD1 2.81Å; D590-A592 VanDerWaalsContact OD1-CB 3.25Å; D590-A592 WeakPolarHBondContact OD1-CB 3.19Å; D590-A592 PolarHBondContact OD1-N 3.35Å
591C91.4Very high92.8Very high0 Ų035.8 Ų35.80%019%0.19CC..  trans-101.815.9-179.2-72.90000113.4P589 R593 A594 C595 F601 Y602P589-C591 PolarHBondContact O-N 3.25Å; P589-C591 PolarHBondContact O-SG 2.88Å; P589-C591 VanDerWaalsContact O-SG 3.38Å; C591-R593 PolarHBondContact O-N 3.03Å; C591-A594 HydrophobicContact CB-CB 4.18Å; C591-A594 WeakPolarHBondContact O-CB 3.21Å; C591-A594 PolarHBondContact O-N 3.11Å; C591-A594 VanDerWaalsContact O-N 3.08Å; C591-C595 PolarHBondContact O-N 3.08Å; C591-C595 PolarHBondContact O-SG 3.35Å; C591-F601 HydrophobicContact CB-CE1 4.17Å; C591-Y602 HydrophobicContact CB-CE2 4.28Å; C591-Y602 WeakPolarHBondContact CB-OH 3.41Å
592A90.6Very high92.8Very high47 Ų4735.9 Ų35.939%0.38819%0.19SC..Hα-helixtrans-59.3-48.4-177.100000111.6D590 A594 C595 L596D590-A592 VanDerWaalsContact OD1-CB 3.25Å; D590-A592 WeakPolarHBondContact OD1-CB 3.19Å; D590-A592 PolarHBondContact OD1-N 3.35Å; A592-A594 VanDerWaalsContact C-N 3.31Å; A592-A594 PolarHBondContact O-N 3.43Å; A592-C595 PolarHBondContact O-N 3.28Å; A592-L596 WeakPolarHBondContact O-CB 3.46Å; A592-L596 PolarHBondContact O-N 3.49Å
593R90.9Very high92.8Very high45 Ų4536.1 Ų36.117%0.1719%0.192CC..Hα-helixtrans-65.4-34.9174.5-74.8173.365.9-149.31.4112.1L472 C591 L596 Y597L472-R593 PolarHBondContact O-NH2 2.85Å; C591-R593 PolarHBondContact O-N 3.03Å; R593-L596 PolarHBondContact O-N 2.89Å; R593-Y597 HydrophobicContact CB-CD2 4.13Å; R593-Y597 HydrophobicContact CB-CE2 4.13Å; R593-Y597 HydrophobicContact CG-CE2 4.11Å; R593-Y597 WeakPolarHBondContact O-CD2 3.38Å; R593-Y597 PolarHBondContact O-N 3.23Å; R593-Y597 VanDerWaalsContact O-N 3.08Å
594A92.6Very high92.8Very high3 Ų335.9 Ų35.93%0.02519%0.189CC..Hα-helixtrans-63.4-47.9177.500000110.8W471 C591 A592 H598 F601W471-A594 HydrophobicContact CH2-CB 3.97Å; W471-A594 HydrophobicContact CZ2-CB 3.43Å; W471-A594 VanDerWaalsContact CZ2-CB 3.43Å; C591-A594 HydrophobicContact CB-CB 4.18Å; C591-A594 WeakPolarHBondContact O-CB 3.21Å; C591-A594 PolarHBondContact O-N 3.11Å; C591-A594 VanDerWaalsContact O-N 3.08Å; A592-A594 VanDerWaalsContact C-N 3.31Å; A592-A594 PolarHBondContact O-N 3.43Å; A594-H598 CarbonylContact O-C 3.53Å; A594-H598 VanDerWaalsContact O-CA 3.31Å; A594-H598 WeakPolarHBondContact O-CA 3.24Å; A594-H598 WeakPolarHBondContact O-CB 3.42Å; A594-H598 PolarHBondContact O-N 2.9Å; A594-H598 VanDerWaalsContact O-O 3.07Å; A594-F601 HydrophobicContact CB-CD1 4.06Å; A594-F601 HydrophobicContact CB-CD2 4.03Å; A594-F601 HydrophobicContact CB-CE1 4.27Å; A594-F601 HydrophobicContact CB-CE2 4.22Å; A594-F601 HydrophobicContact CB-CG 3.94Å; A594-F601 HydrophobicContact CB-CZ 4.34Å
595C93.8Very high92.9Very high10 Ų1034.2 Ų34.27%0.06818%0.181CC..Hα-helixtrans-65.9-39.4177.1-59.70000112.6N297 C591 A592 P599 Y602N297-C595 HydrophobicContact CB-CB 4.48Å; C591-C595 PolarHBondContact O-N 3.08Å; C591-C595 PolarHBondContact O-SG 3.35Å; A592-C595 PolarHBondContact O-N 3.28Å; C595-P599 WeakPolarHBondContact O-CA 3.28Å; C595-Y602 WeakPolarHBondContact SG-CE2 3.08Å
596L93.1Very high93Very high117 Ų11734.1 Ų34.161%0.61318%0.181SC*.Hα-helixtrans-63.8-46-179.217962.9000112.3A592 R593A592-L596 WeakPolarHBondContact O-CB 3.46Å; A592-L596 PolarHBondContact O-N 3.49Å; R593-L596 PolarHBondContact O-N 2.89Å
597Y93.4Very high93.1Very high86 Ų8633.6 Ų33.634%0.33718%0.177SC..Hα-helixtrans-95.6-20.5-173.6-59.6-57.8000113.5Q504 H506 R593Q504-Y597 HydrophobicContact CG-CE2 4.39Å; H506-Y597 AromaticContact CE1-CD1 3.54Å; H506-Y597 AromaticContact CE1-CD2 3.92Å; H506-Y597 AromaticContact CE1-CE1 4Å; H506-Y597 AromaticContact CE1-CG 3.5Å; H506-Y597 VanDerWaalsContact CE1-CG 3.5Å; R593-Y597 HydrophobicContact CB-CD2 4.13Å; R593-Y597 HydrophobicContact CB-CE2 4.13Å; R593-Y597 HydrophobicContact CG-CE2 4.11Å; R593-Y597 WeakPolarHBondContact O-CD2 3.38Å; R593-Y597 PolarHBondContact O-N 3.23Å; R593-Y597 VanDerWaalsContact O-N 3.08Å
598H94.3Very high93.4Very high40 Ų4031.7 Ų31.719%0.18517%0.169CC..  trans-133.980.1176.9-56.3-83000109.1V469 W471 A594 D600 F601V469-H598 WeakPolarHBondContact CG1-NE2 3.5Å; W471-H598 AromaticContact CZ2-CD2 3.93Å; A594-H598 CarbonylContact O-C 3.53Å; A594-H598 VanDerWaalsContact O-CA 3.31Å; A594-H598 WeakPolarHBondContact O-CA 3.24Å; A594-H598 WeakPolarHBondContact O-CB 3.42Å; A594-H598 PolarHBondContact O-N 2.9Å; A594-H598 VanDerWaalsContact O-O 3.07Å; H598-D600 PolarHBondContact O-N 3.5Å; H598-D600 VanDerWaalsContact O-N 3.12Å; H598-F601 HydrophobicContact CB-CB 4.36Å; H598-F601 WeakPolarHBondContact O-CB 3.31Å; H598-F601 PolarHBondContact O-N 3.25Å
599P94.3Very high94Very high78 Ų7831.3 Ų31.351%0.50617%0.166SC..THydrogen-bonded Turntrans-56.4-30.9-174.8-28.236.3000114.5C595 F601C595-P599 WeakPolarHBondContact O-CA 3.28Å; P599-F601 PolarHBondContact O-N 2.79Å
600D95.9Very high94.5Very high85 Ų8531 Ų3146%0.45516%0.164SC..THydrogen-bonded Turntrans-79.66.1175.5-70.5-56000114.2H598 Y602 N603 H604H598-D600 PolarHBondContact O-N 3.5Å; H598-D600 VanDerWaalsContact O-N 3.12Å; D600-Y602 PolarHBondContact O-N 3.35Å; D600-N603 HydrophobicContact CB-CB 4.35Å; D600-N603 WeakPolarHBondContact O-CA 3.48Å; D600-N603 WeakPolarHBondContact O-CB 3.44Å; D600-N603 PolarHBondContact O-N 3.43Å; D600-N603 PolarHBondContact OD1-ND2 3.27Å; D600-H604 VanDerWaalsContact O-CG 3.27Å; D600-H604 PolarHBondContact O-N 2.75Å; D600-H604 PolarHBondContact O-ND1 2.95Å
601F96.8Very high94.9Very high1 Ų128.3 Ų28.30%0.00415%0.15CC..Hα-helixtrans-51-55.1-177.3172.7-99.3000112.4M453 Y467 W471 C591 A594 H598 P599 N603 H604 M605M453-F601 HydrophobicContact CE-CZ 4.49Å; M453-F601 HydrophobicContact CG-CE2 4.04Å; M453-F601 HydrophobicContact CG-CZ 4.19Å; Y467-F601 HydrophobicContact CD1-CD2 4.26Å; Y467-F601 HydrophobicContact CD1-CE2 4.23Å; Y467-F601 AromaticContact CE1-CD2 3.78Å; Y467-F601 HydrophobicContact CE1-CD2 3.78Å; Y467-F601 HydrophobicContact CE1-CE2 4.21Å; W471-F601 HydrophobicContact CH2-CD2 4.13Å; W471-F601 HydrophobicContact CH2-CE2 4Å; C591-F601 HydrophobicContact CB-CE1 4.17Å; A594-F601 HydrophobicContact CB-CD1 4.06Å; A594-F601 HydrophobicContact CB-CD2 4.03Å; A594-F601 HydrophobicContact CB-CE1 4.27Å; A594-F601 HydrophobicContact CB-CE2 4.22Å; A594-F601 HydrophobicContact CB-CG 3.94Å; A594-F601 HydrophobicContact CB-CZ 4.34Å; H598-F601 HydrophobicContact CB-CB 4.36Å; H598-F601 WeakPolarHBondContact O-CB 3.31Å; H598-F601 PolarHBondContact O-N 3.25Å; P599-F601 PolarHBondContact O-N 2.79Å; F601-N603 VanDerWaalsContact C-N 3.32Å; F601-N603 PolarHBondContact O-N 3.29Å; F601-H604 PolarHBondContact O-N 2.63Å; F601-M605 HydrophobicContact CD1-CG 4.38Å; F601-M605 HydrophobicContact CD2-CE 4.11Å; F601-M605 HydrophobicContact CE1-CG 3.99Å; F601-M605 HydrophobicContact CE2-CE 3.65Å; F601-M605 HydrophobicContact CE2-CG 4.19Å; F601-M605 HydrophobicContact CE2-SD 4.16Å; F601-M605 HydrophobicContact CZ-CE 4.17Å; F601-M605 HydrophobicContact CZ-CG 3.88Å; F601-M605 HydrophobicContact CZ-SD 4.05Å; F601-M605 VanDerWaalsContact O-CG 3.3Å; F601-M605 WeakPolarHBondContact O-CG 3.42Å; F601-M605 PolarHBondContact O-N 3.47Å
602Y97.1Very high94.9Very high2 Ų231.7 Ų31.71%0.00817%0.168CC..Hα-helixtrans-69.5-30179.1-81-65.8000112.7Q293 V294 N297 W316 C591 C595 D600 M605 F606Q293-Y602 HydrophobicContact CB-CE2 3.95Å; V294-Y602 HydrophobicContact CG2-CD1 4.1Å; V294-Y602 HydrophobicContact CG2-CE1 3.62Å; V294-Y602 HydrophobicContact CG2-CE2 4.13Å; N297-Y602 HydrophobicContact CB-CD2 4.1Å; W316-Y602 HydrophobicContact CZ2-CE1 4.01Å; C591-Y602 HydrophobicContact CB-CE2 4.28Å; C591-Y602 WeakPolarHBondContact CB-OH 3.41Å; C595-Y602 WeakPolarHBondContact SG-CE2 3.08Å; D600-Y602 PolarHBondContact O-N 3.35Å; Y602-M605 PolarHBondContact O-N 2.96Å; Y602-F606 HydrophobicContact CD1-CD2 4.4Å; Y602-F606 HydrophobicContact CD1-CE2 4.13Å; Y602-F606 WeakPolarHBondContact O-CB 3.21Å; Y602-F606 VanDerWaalsContact O-CD2 3.28Å; Y602-F606 WeakPolarHBondContact O-CD2 3.34Å; Y602-F606 PolarHBondContact O-N 2.85Å
603N97.6Very high95Very high8 Ų832.6 Ų32.64%0.04316%0.164CC..Hα-helixtrans-59.8-47.7172.6-66-23.1000110.5T299 H300 D600 F601 F606 Q607T299-N603 PolarHBondContact N-OD1 3.26Å; T299-N603 PolarHBondContact OG1-ND2 3.2Å; H300-N603 HydrophobicContact CB-CB 3.98Å; H300-N603 WeakPolarHBondContact CB-OD1 3.49Å; H300-N603 PolarHBondContact N-OD1 3.42Å; D600-N603 HydrophobicContact CB-CB 4.35Å; D600-N603 WeakPolarHBondContact O-CA 3.48Å; D600-N603 WeakPolarHBondContact O-CB 3.44Å; D600-N603 PolarHBondContact O-N 3.43Å; D600-N603 PolarHBondContact OD1-ND2 3.27Å; F601-N603 VanDerWaalsContact C-N 3.32Å; F601-N603 PolarHBondContact O-N 3.29Å; N603-F606 PolarHBondContact O-N 2.76Å; N603-Q607 WeakPolarHBondContact O-CB 3.34Å; N603-Q607 PolarHBondContact O-N 2.94Å
604H97.6Very high95.2Very high37 Ų3731.6 Ų31.617%0.17116%0.164CC..Hα-helixtrans-63.9-44.2177.1-59.1148.5000112.5Y467 D600 F601 T608 C617 P618Y467-H604 HydrophobicContact CE2-CB 3.84Å; Y467-H604 AromaticContact CE2-ND1 3.75Å; Y467-H604 AromaticContact CZ-ND1 3.78Å; Y467-H604 PolarHBondContact OH-ND1 3.17Å; D600-H604 VanDerWaalsContact O-CG 3.27Å; D600-H604 PolarHBondContact O-N 2.75Å; D600-H604 PolarHBondContact O-ND1 2.95Å; F601-H604 PolarHBondContact O-N 2.63Å; H604-T608 VanDerWaalsContact O-CB 3.26Å; H604-T608 WeakPolarHBondContact O-CB 3.39Å; H604-T608 PolarHBondContact O-N 3.42Å; H604-T608 PolarHBondContact O-OG1 2.8Å; H604-C617 HydrophobicContact CB-CB 4.14Å; H604-P618 VanDerWaalsContact CE1-CD 3.49Å; H604-P618 WeakPolarHBondContact CE1-CD 3.35Å; H604-P618 WeakPolarHBondContact ND1-CD 3.41Å
605M96.8Very high95.1Very high0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-59.2-49.9177.6-65.3-63.7117.500110.8M455 Y467 I559 F601 Y602 T608 L609M455-M605 HydrophobicContact CE-CE 4.14Å; M455-M605 HydrophobicContact CG-CE 4.31Å; M455-M605 HydrophobicContact CG-SD 3.54Å; M455-M605 VanDerWaalsContact CG-SD 3.54Å; M455-M605 HydrophobicContact SD-CE 3.68Å; M455-M605 HydrophobicContact SD-SD 3.54Å; Y467-M605 HydrophobicContact CD1-CE 4.25Å; Y467-M605 HydrophobicContact CD2-CE 3.18Å; Y467-M605 HydrophobicContact CE2-CE 3.62Å; Y467-M605 HydrophobicContact CG-CE 3.57Å; I559-M605 HydrophobicContact CG2-SD 3.93Å; F601-M605 HydrophobicContact CD1-CG 4.38Å; F601-M605 HydrophobicContact CD2-CE 4.11Å; F601-M605 HydrophobicContact CE1-CG 3.99Å; F601-M605 HydrophobicContact CE2-CE 3.65Å; F601-M605 HydrophobicContact CE2-CG 4.19Å; F601-M605 HydrophobicContact CE2-SD 4.16Å; F601-M605 HydrophobicContact CZ-CE 4.17Å; F601-M605 HydrophobicContact CZ-CG 3.88Å; F601-M605 HydrophobicContact CZ-SD 4.05Å; F601-M605 VanDerWaalsContact O-CG 3.3Å; F601-M605 WeakPolarHBondContact O-CG 3.42Å; F601-M605 PolarHBondContact O-N 3.47Å; Y602-M605 PolarHBondContact O-N 2.96Å; M605-T608 PolarHBondContact O-N 2.95Å; M605-L609 VanDerWaalsContact O-CB 3.31Å; M605-L609 WeakPolarHBondContact O-CB 3.32Å; M605-L609 WeakPolarHBondContact O-CG 3.29Å; M605-L609 PolarHBondContact O-N 3.38Å
606F97.3Very high94.9Very high0 Ų044.3 Ų44.30%023%0.226CC..Hα-helixtrans-69.8-41.2-177-88.7-110.8000112.3V287 V294 L298 F303 I314 W316 Y602 N603 T608 L609 F610V287-F606 HydrophobicContact CB-CE1 4.47Å; V287-F606 HydrophobicContact CG1-CE1 3.72Å; V287-F606 HydrophobicContact CG1-CZ 4.03Å; V287-F606 HydrophobicContact CG2-CD1 4.36Å; V287-F606 HydrophobicContact CG2-CE1 3.87Å; V294-F606 HydrophobicContact CG1-CE2 4.03Å; V294-F606 HydrophobicContact CG1-CZ 3.95Å; L298-F606 HydrophobicContact CD1-CB 3.94Å; L298-F606 HydrophobicContact CD1-CD1 4.08Å; L298-F606 HydrophobicContact CD1-CD2 3.95Å; L298-F606 HydrophobicContact CD1-CE2 4.48Å; L298-F606 HydrophobicContact CD1-CG 3.72Å; L298-F606 HydrophobicContact CD2-CD1 3.87Å; L298-F606 HydrophobicContact CD2-CD2 4.48Å; L298-F606 HydrophobicContact CD2-CE1 3.68Å; L298-F606 HydrophobicContact CD2-CE2 4.31Å; L298-F606 HydrophobicContact CD2-CG 4.27Å; L298-F606 HydrophobicContact CD2-CZ 3.91Å; F303-F606 AromaticContact CD1-CD1 3.94Å; F303-F606 HydrophobicContact CD1-CD1 3.94Å; F303-F606 HydrophobicContact CD2-CB 4.34Å; F303-F606 HydrophobicContact CE1-CB 4.14Å; F303-F606 AromaticContact CE1-CD1 3.82Å; F303-F606 HydrophobicContact CE1-CD1 3.82Å; F303-F606 HydrophobicContact CE1-CG 4.49Å; F303-F606 HydrophobicContact CE2-CB 3.7Å; F303-F606 HydrophobicContact CG-CD1 4.38Å; F303-F606 HydrophobicContact CZ-CB 3.58Å; F303-F606 HydrophobicContact CZ-CD1 4.16Å; F303-F606 HydrophobicContact CZ-CG 4.39Å; I314-F606 HydrophobicContact CD1-CD1 4.21Å; I314-F606 HydrophobicContact CD1-CE1 4.26Å; I314-F606 HydrophobicContact CG2-CE1 4.19Å; W316-F606 HydrophobicContact CB-CZ 4.24Å; W316-F606 AromaticContact CD2-CE2 3.87Å; W316-F606 HydrophobicContact CD2-CE2 3.87Å; W316-F606 AromaticContact CD2-CZ 3.73Å; W316-F606 HydrophobicContact CD2-CZ 3.73Å; W316-F606 HydrophobicContact CE3-CD2 4.39Å; W316-F606 HydrophobicContact CE3-CE1 4.19Å; W316-F606 AromaticContact CE3-CE2 3.48Å; W316-F606 HydrophobicContact CE3-CE2 3.48Å; W316-F606 VanDerWaalsContact CE3-CE2 3.48Å; W316-F606 AromaticContact CE3-CZ 3.36Å; W316-F606 HydrophobicContact CE3-CZ 3.36Å; W316-F606 HydrophobicContact CG-CZ 4.11Å; W316-F606 HydrophobicContact CH2-CE2 4.16Å; W316-F606 HydrophobicContact CZ2-CE2 4.49Å; W316-F606 HydrophobicContact CZ3-CD2 4.2Å; W316-F606 AromaticContact CZ3-CE2 3.65Å; W316-F606 HydrophobicContact CZ3-CE2 3.65Å; W316-F606 AromaticContact CZ3-CZ 3.99Å; W316-F606 HydrophobicContact CZ3-CZ 3.99Å; Y602-F606 HydrophobicContact CD1-CD2 4.4Å; Y602-F606 HydrophobicContact CD1-CE2 4.13Å; Y602-F606 WeakPolarHBondContact O-CB 3.21Å; Y602-F606 VanDerWaalsContact O-CD2 3.28Å; Y602-F606 WeakPolarHBondContact O-CD2 3.34Å; Y602-F606 PolarHBondContact O-N 2.85Å; N603-F606 PolarHBondContact O-N 2.76Å; F606-T608 VanDerWaalsContact C-N 3.33Å; F606-T608 PolarHBondContact O-N 3.03Å; F606-L609 PolarHBondContact O-N 3.28Å; F606-F610 HydrophobicContact CB-CD2 4.12Å; F606-F610 AromaticContact CD1-CD2 3.55Å; F606-F610 HydrophobicContact CD1-CD2 3.55Å; F606-F610 AromaticContact CD1-CE2 3.71Å; F606-F610 HydrophobicContact CD1-CE2 3.71Å; F606-F610 HydrophobicContact CD2-CE2 4.42Å; F606-F610 HydrophobicContact CE1-CD2 4.11Å; F606-F610 AromaticContact CE1-CE2 3.84Å; F606-F610 HydrophobicContact CE1-CE2 3.84Å; F606-F610 AromaticContact CG-CD2 3.89Å; F606-F610 HydrophobicContact CG-CD2 3.89Å; F606-F610 HydrophobicContact CG-CE2 4.02Å; F606-F610 HydrophobicContact CZ-CE2 4.27Å; F606-F610 WeakPolarHBondContact O-CB 3.38Å; F606-F610 PolarHBondContact O-N 3.31Å
607Q96.1Very high95.1Very high20 Ų2039.3 Ų39.39%0.09320%0.201CC..Hα-helixtrans-61.7-42.3175.7-179.1178.3-10.400111.5N603 L611 D612 Q613N603-Q607 WeakPolarHBondContact O-CB 3.34Å; N603-Q607 PolarHBondContact O-N 2.94Å; Q607-L611 HydrophobicContact CB-CD1 4.45Å; Q607-L611 HydrophobicContact CG-CD1 4.31Å; Q607-L611 WeakPolarHBondContact O-CB 3.49Å; Q607-L611 PolarHBondContact O-N 3.34Å; Q607-D612 PolarHBondContact O-N 3.42Å; Q607-Q613 HydrophobicContact CG-CB 3.93Å; Q607-Q613 WeakPolarHBondContact CG-O 3.35Å; Q607-Q613 PolarHBondContact NE2-O 3.48Å; Q607-Q613 PolarHBondContact O-N 3.03Å
608T96.6Very high95.2Very high0 Ų037.1 Ų37.10%020%0.197CC..Hα-helixtrans-66.7-47.8177.6-57.30000111.6M455 Y465 H604 M605 F606 P614 V619M455-T608 HydrophobicContact SD-CG2 3.86Å; Y465-T608 HydrophobicContact CD1-CG2 4.26Å; Y465-T608 HydrophobicContact CD2-CG2 4.13Å; Y465-T608 HydrophobicContact CG-CG2 4.03Å; H604-T608 VanDerWaalsContact O-CB 3.26Å; H604-T608 WeakPolarHBondContact O-CB 3.39Å; H604-T608 PolarHBondContact O-N 3.42Å; H604-T608 PolarHBondContact O-OG1 2.8Å; M605-T608 PolarHBondContact O-N 2.95Å; F606-T608 VanDerWaalsContact C-N 3.33Å; F606-T608 PolarHBondContact O-N 3.03Å; T608-P614 HydrophobicContact CG2-CB 4.38Å; T608-V619 HydrophobicContact CG2-CG2 4.39Å
609L95.9Very high95.4Very high0 Ų036.1 Ų36.10%019%0.193CC..Hα-helixtrans-82-37.3-171.2-71.9173.6000114.2W316 M455 H457 R557 I559 M605 F606W316-L609 HydrophobicContact CZ3-CD1 4.48Å; M455-L609 HydrophobicContact CB-CD2 3.85Å; M455-L609 HydrophobicContact CB-CG 4.28Å; M455-L609 HydrophobicContact CG-CD1 4.4Å; M455-L609 HydrophobicContact CG-CG 4.41Å; H457-L609 HydrophobicContact CB-CD2 4.32Å; H457-L609 PolarHBondContact CD2-O 3.21Å; R557-L609 HydrophobicContact CB-CB 4.11Å; R557-L609 HydrophobicContact CB-CD1 4.26Å; R557-L609 HydrophobicContact CB-CD2 4.12Å; R557-L609 HydrophobicContact CB-CG 4.4Å; R557-L609 VanDerWaalsContact CD-O 3.32Å; R557-L609 WeakPolarHBondContact CD-O 3.5Å; R557-L609 HydrophobicContact CG-CB 4.09Å; R557-L609 HydrophobicContact CG-CD2 4.49Å; R557-L609 PolarHBondContact NE-O 3.27Å; I559-L609 HydrophobicContact CG2-CD1 3.7Å; M605-L609 VanDerWaalsContact O-CB 3.31Å; M605-L609 WeakPolarHBondContact O-CB 3.32Å; M605-L609 WeakPolarHBondContact O-CG 3.29Å; M605-L609 PolarHBondContact O-N 3.38Å; F606-L609 PolarHBondContact O-N 3.28Å
610F95.4Very high95.5Very high2 Ų235 Ų351%0.00919%0.185CC..Hα-helixtrans-114.3-16.2-169.4-55.4-71000114.3V279 L285 F303 I314 W316 M335 R557 F606V279-F610 WeakPolarHBondContact CG2-O 3.5Å; L285-F610 HydrophobicContact CD1-CB 4.3Å; F303-F610 HydrophobicContact CE1-CB 4.31Å; I314-F610 HydrophobicContact CD1-CB 3.8Å; I314-F610 HydrophobicContact CD1-CD1 3.93Å; I314-F610 HydrophobicContact CD1-CD2 3.8Å; I314-F610 HydrophobicContact CD1-CE1 4.45Å; I314-F610 HydrophobicContact CD1-CE2 4.34Å; I314-F610 HydrophobicContact CD1-CG 3.57Å; I314-F610 HydrophobicContact CG1-CD1 4Å; I314-F610 HydrophobicContact CG1-CE1 4.27Å; I314-F610 HydrophobicContact CG1-CG 4.18Å; I314-F610 HydrophobicContact CG2-CD1 4.46Å; I314-F610 HydrophobicContact CG2-CE1 3.92Å; I314-F610 HydrophobicContact CG2-CE2 4.11Å; I314-F610 HydrophobicContact CG2-CZ 3.74Å; W316-F610 AromaticContact CE3-CE2 3.83Å; W316-F610 HydrophobicContact CE3-CE2 3.83Å; W316-F610 AromaticContact CE3-CZ 3.91Å; W316-F610 HydrophobicContact CE3-CZ 3.91Å; W316-F610 AromaticContact CZ3-CE2 3.7Å; W316-F610 HydrophobicContact CZ3-CE2 3.7Å; W316-F610 AromaticContact CZ3-CZ 3.94Å; W316-F610 HydrophobicContact CZ3-CZ 3.94Å; M335-F610 HydrophobicContact CB-CD1 3.88Å; M335-F610 HydrophobicContact CB-CE1 3.87Å; M335-F610 HydrophobicContact CE-CB 4.06Å; M335-F610 HydrophobicContact CE-CD1 3.93Å; M335-F610 HydrophobicContact CE-CG 4.41Å; M335-F610 HydrophobicContact CG-CD1 4.46Å; M335-F610 HydrophobicContact SD-CD1 3.81Å; R557-F610 HydrophobicContact CB-CE1 3.81Å; R557-F610 HydrophobicContact CB-CZ 4.06Å; R557-F610 HydrophobicContact CG-CD1 3.88Å; R557-F610 HydrophobicContact CG-CE1 3.57Å; R557-F610 HydrophobicContact CG-CZ 4.28Å; F606-F610 HydrophobicContact CB-CD2 4.12Å; F606-F610 AromaticContact CD1-CD2 3.55Å; F606-F610 HydrophobicContact CD1-CD2 3.55Å; F606-F610 AromaticContact CD1-CE2 3.71Å; F606-F610 HydrophobicContact CD1-CE2 3.71Å; F606-F610 HydrophobicContact CD2-CE2 4.42Å; F606-F610 HydrophobicContact CE1-CD2 4.11Å; F606-F610 AromaticContact CE1-CE2 3.84Å; F606-F610 HydrophobicContact CE1-CE2 3.84Å; F606-F610 AromaticContact CG-CD2 3.89Å; F606-F610 HydrophobicContact CG-CD2 3.89Å; F606-F610 HydrophobicContact CG-CE2 4.02Å; F606-F610 HydrophobicContact CZ-CE2 4.27Å; F606-F610 WeakPolarHBondContact O-CB 3.38Å; F606-F610 PolarHBondContact O-N 3.31Å
611L94.6Very high95.6Very high13 Ų1335.6 Ų35.67%0.06819%0.185CC..SBendtrans-105.3-6.6173.9-54.8179.7000113.3V279 L285 R302 F303 Q607 Q613V279-L611 HydrophobicContact CG1-CD2 4.38Å; L285-L611 HydrophobicContact CD1-CD2 3.81Å; R302-L611 HydrophobicContact CB-CD1 3.87Å; R302-L611 HydrophobicContact CB-CD2 4.41Å; R302-L611 HydrophobicContact CG-CD1 4.19Å; F303-L611 HydrophobicContact CE1-CD2 4.33Å; F303-L611 HydrophobicContact CE1-CG 4.42Å; F303-L611 HydrophobicContact CE2-CD1 3.87Å; F303-L611 HydrophobicContact CE2-CG 4.32Å; F303-L611 HydrophobicContact CZ-CD1 3.73Å; F303-L611 HydrophobicContact CZ-CD2 4.01Å; F303-L611 HydrophobicContact CZ-CG 3.65Å; Q607-L611 HydrophobicContact CB-CD1 4.45Å; Q607-L611 HydrophobicContact CG-CD1 4.31Å; Q607-L611 WeakPolarHBondContact O-CB 3.49Å; Q607-L611 PolarHBondContact O-N 3.34Å; L611-Q613 HydrophobicContact CB-CB 4.37Å; L611-Q613 HydrophobicContact CB-CG 4.37Å; L611-Q613 WeakPolarHBondContact O-CG 3.28Å; L611-Q613 PolarHBondContact O-N 2.95Å
612D92.3Very high95.6Very high72 Ų7236.7 Ų36.739%0.38519%0.191SC..  trans53.839.3-174.8-83.7-65.6000112.2H457 R463 Q607 P614H457-D612 IonicContact CD2-OD1 2.69Å; H457-D612 IonicContact CE1-OD1 3.59Å; H457-D612 IonicContact NE2-OD1 2.94Å; H457-D612 PolarHBondContact NE2-OD1 2.97Å; H457-D612 IonicContact NE2-OD2 3.22Å; R463-D612 IonicContact CZ-OD1 3.77Å; R463-D612 IonicContact NH1-OD1 3.25Å; R463-D612 PolarHBondContact NH1-OD1 2.89Å; R463-D612 IonicContact NH2-OD1 3.38Å; R463-D612 PolarHBondContact NH2-OD1 3.42Å; Q607-D612 PolarHBondContact O-N 3.42Å; D612-P614 VanDerWaalsContact C-CD 3.49Å; D612-P614 WeakPolarHBondContact O-CD 3.4Å
613Q93.5Very high95.4Very high66 Ų6639 Ų3931%0.30821%0.205SC..  trans-125.966.9-174.7-74.7168.728.300113.1Q607 L611 E615Q607-Q613 HydrophobicContact CG-CB 3.93Å; Q607-Q613 WeakPolarHBondContact CG-O 3.35Å; Q607-Q613 PolarHBondContact NE2-O 3.48Å; Q607-Q613 PolarHBondContact O-N 3.03Å; L611-Q613 HydrophobicContact CB-CB 4.37Å; L611-Q613 HydrophobicContact CB-CG 4.37Å; L611-Q613 WeakPolarHBondContact O-CG 3.28Å; L611-Q613 PolarHBondContact O-N 2.95Å; Q613-E615 VanDerWaalsContact C-N 3.3Å; Q613-E615 VanDerWaalsContact C-OE2 3.24Å; Q613-E615 WeakPolarHBondContact CA-OE2 3.37Å; Q613-E615 PolarHBondContact O-N 3.28Å
614P94.8Very high95.3Very high24 Ų2440.5 Ų40.516%0.15621%0.213CC..G310 helixtrans-73.9-13.6-176.431.6-36.9000114.5Y465 T608 D612 N616 C617 V619Y465-P614 HydrophobicContact CD1-CB 4.49Å; Y465-P614 HydrophobicContact CE1-CB 4.09Å; Y465-P614 HydrophobicContact CE1-CG 4.22Å; T608-P614 HydrophobicContact CG2-CB 4.38Å; D612-P614 VanDerWaalsContact C-CD 3.49Å; D612-P614 WeakPolarHBondContact O-CD 3.4Å; P614-N616 PolarHBondContact O-N 2.83Å; P614-C617 PolarHBondContact O-N 3.02Å; P614-V619 HydrophobicContact CB-CG2 3.71Å
615E90.6Very high95.2Very high142 Ų14240.7 Ų40.766%0.66422%0.215SC*.G310 helixtrans-63.7-21.5-163.8-60.676.1-16600114.5Q613Q613-E615 VanDerWaalsContact C-N 3.3Å; Q613-E615 VanDerWaalsContact C-OE2 3.24Å; Q613-E615 WeakPolarHBondContact CA-OE2 3.37Å; Q613-E615 PolarHBondContact O-N 3.28Å
616N89.4Confident95.1Very high137 Ų13742.9 Ų42.973%0.73323%0.227SC*.G310 helixtrans-113.76.5178.2-61.1-51000113.1P614P614-N616 PolarHBondContact O-N 2.83Å
617C96.2Very high95Very high13 Ų1345.5 Ų45.59%0.08824%0.24CC..SBendtrans-97.1146.7176.1-63.10000108.9H604 P614 V619H604-C617 HydrophobicContact CB-CB 4.14Å; P614-C617 PolarHBondContact O-N 3.02Å; C617-V619 HydrophobicContact CB-CB 4.46Å; C617-V619 HydrophobicContact CB-CG1 3.87Å; C617-V619 HydrophobicContact CB-CG2 3.86Å; C617-V619 PolarHBondContact O-N 3.11Å
618P96.3Very high94.9Very high39 Ų3947.1 Ų47.125%0.25325%0.25SC..SBendtrans-76.367.8173.832.4-32.8000109.4Y467 N468 H604Y467-P618 HydrophobicContact CD2-CG 4.32Å; Y467-P618 WeakPolarHBondContact CD2-O 3.48Å; Y467-P618 HydrophobicContact CE2-CG 3.51Å; N468-P618 HydrophobicContact CB-CB 4.33Å; N468-P618 WeakPolarHBondContact CB-O 3.39Å; N468-P618 PolarHBondContact N-O 3.4Å; N468-P618 VanDerWaalsContact ND2-C 3.3Å; H604-P618 VanDerWaalsContact CE1-CD 3.49Å; H604-P618 WeakPolarHBondContact CE1-CD 3.35Å; H604-P618 WeakPolarHBondContact ND1-CD 3.41Å
619V97.5Very high94.8Very high19 Ų1950.2 Ų50.212%0.11527%0.266CS..EExtended strand (participates in β ladder)trans-130.5149-176.6-58.70000110.9M455 Y465 V466 Y467 N468 T608 P614 C617M455-V619 HydrophobicContact CE-CB 3.89Å; M455-V619 HydrophobicContact CE-CG1 3.28Å; M455-V619 HydrophobicContact SD-CG1 4.07Å; Y465-V619 HydrophobicContact CD1-CG2 4.36Å; V466-V619 CarbonylContact O-C 3.44Å; V466-V619 VanDerWaalsContact O-CA 3.25Å; V466-V619 WeakPolarHBondContact O-CA 3.3Å; Y467-V619 HydrophobicContact CD2-CG1 3.86Å; Y467-V619 HydrophobicContact CE2-CG1 4.48Å; N468-V619 PolarHBondContact ND2-N 3.3Å; T608-V619 HydrophobicContact CG2-CG2 4.39Å; P614-V619 HydrophobicContact CB-CG2 3.71Å; C617-V619 HydrophobicContact CB-CB 4.46Å; C617-V619 HydrophobicContact CB-CG1 3.87Å; C617-V619 HydrophobicContact CB-CG2 3.86Å; C617-V619 PolarHBondContact O-N 3.11Å
620T97.6Very high94.8Very high54 Ų5453.8 Ų53.833%0.33129%0.285SS..EExtended strand (participates in β ladder)trans-120.8123.7174.3-62.60000109.1Y465 V466 N468 F531 I622Y465-T620 CarbonylContact C-O 3.53Å; Y465-T620 VanDerWaalsContact CA-O 3.31Å; Y465-T620 WeakPolarHBondContact CA-O 3.34Å; V466-T620 PolarHBondContact N-O 3.34Å; V466-T620 PolarHBondContact O-N 3.32Å; N468-T620 PolarHBondContact OD1-N 3.02Å; N468-T620 PolarHBondContact OD1-OG1 3.04Å; F531-T620 HydrophobicContact CE2-CG2 4.21Å; T620-I622 HydrophobicContact CG2-CG2 4.24Å
621Q97.6Very high94.7Very high99 Ų9957.8 Ų57.846%0.46331%0.307SS..EExtended strand (participates in β ladder)trans-75.7124.3171-167.9175.9-17.800109.7Y465 V623Y465-Q621 HydrophobicContact CD1-CB 3.63Å; Y465-Q621 HydrophobicContact CD1-CG 3.98Å; Y465-Q621 HydrophobicContact CE1-CB 3.51Å; Y465-Q621 HydrophobicContact CE1-CG 3.64Å; Y465-Q621 PolarHBondContact OH-OE1 2.9Å; Q621-V623 VanDerWaalsContact CG-O 3.3Å; Q621-V623 WeakPolarHBondContact CG-O 3.45Å; Q621-V623 PolarHBondContact NE2-O 3.14Å
622I97.1Very high94.7Very high23 Ų2361.5 Ų61.512%0.11833%0.326CS..  trans-108.1-20-177.558.2163.3000113.1L464 V466 F531 F534 K535 T620L464-I622 HydrophobicContact CB-CG1 4.08Å; L464-I622 HydrophobicContact CD2-CD1 3.51Å; L464-I622 HydrophobicContact CD2-CG1 3.98Å; L464-I622 HydrophobicContact CG-CD1 3.87Å; L464-I622 HydrophobicContact CG-CG1 3.89Å; L464-I622 WeakPolarHBondContact O-CG1 3.3Å; L464-I622 PolarHBondContact O-N 3.21Å; V466-I622 HydrophobicContact CG2-CB 4.43Å; V466-I622 HydrophobicContact CG2-CD1 3.51Å; V466-I622 HydrophobicContact CG2-CG1 3.9Å; V466-I622 HydrophobicContact CG2-CG2 3.67Å; F531-I622 HydrophobicContact CB-CG2 3.93Å; F531-I622 HydrophobicContact CD2-CG2 3.75Å; F531-I622 HydrophobicContact CE2-CG2 4.47Å; F531-I622 HydrophobicContact CG-CG2 3.92Å; F534-I622 HydrophobicContact CB-CD1 3.79Å; F534-I622 HydrophobicContact CD2-CD1 4.49Å; K535-I622 WeakPolarHBondContact CD-O 3.11Å; K535-I622 PolarHBondContact NZ-O 3.44Å; T620-I622 HydrophobicContact CG2-CG2 4.24Å
623V93.9Very high94.9Very high50 Ų5060.5 Ų60.530%0.30332%0.321SS..  trans-136.30170.8-167.60000110.9L462 R463 L464 K535 Q621L462-V623 HydrophobicContact CB-CG1 4.09Å; L462-V623 HydrophobicContact CD2-CB 4.37Å; L462-V623 HydrophobicContact CD2-CG1 3.96Å; L462-V623 HydrophobicContact CD2-CG2 4.33Å; L462-V623 HydrophobicContact CG-CB 4.17Å; L462-V623 HydrophobicContact CG-CG1 3.86Å; L462-V623 WeakPolarHBondContact O-CG1 3.3Å; R463-V623 WeakPolarHBondContact CA-O 3.41Å; L464-V623 HydrophobicContact CB-CB 4.31Å; L464-V623 HydrophobicContact CB-CG2 4.38Å; L464-V623 PolarHBondContact N-O 2.77Å; L464-V623 PolarHBondContact O-N 3.11Å; K535-V623 HydrophobicContact CB-CG2 3.8Å; K535-V623 HydrophobicContact CD-CG2 3.79Å; K535-V623 HydrophobicContact CG-CG2 3.48Å; K535-V623 VanDerWaalsContact CG-CG2 3.48Å; Q621-V623 VanDerWaalsContact CG-O 3.3Å; Q621-V623 WeakPolarHBondContact CG-O 3.45Å; Q621-V623 PolarHBondContact NE2-O 3.14Å

Retrieved 623 of 623 residues in 167.5 ms (Link to these results)

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