A0A087XDU2_POEFO Loading...

N-lysine methyltransferase SETD6

Protein-lysine N-methyltransferase.

AlphaFold DB , UniProt , Accession A0A087XDU2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M27.8Very low35.5Very low238 Ų238155.1 Ų155.1100%1.17282%0.823SS**  083.40-65.3-151.5-99.200106.1
2A32.3Very low37.7Very low98 Ų98150.3 Ų150.381%0.8180%0.798SS**  62.790.686.100000112.1
3T25.9Very low40.2Very low143 Ų143141.5 Ų141.588%0.87776%0.76SS**  trans-14796138.942.50000107.4A5T3-A5 PolarHBondContact O-N 3.14Å
4E38.6Very low43Very low176 Ų176136.5 Ų136.582%0.82274%0.741SS**  trans-56.1113.6162.5-68.5170.5136.900109
5A26.8Very low46Very low95 Ų95135.1 Ų135.179%0.78573%0.728SS**  trans-87.497.6149.800000105.7T3 R7T3-A5 PolarHBondContact O-N 3.14Å; A5-R7 VanDerWaalsContact C-N 3.27Å; A5-R7 PolarHBondContact O-N 3.31Å
6K34.5Very low48.8Very low183 Ų183131.6 Ų131.680%0.79670%0.701SS**  trans-5495.2165.9-82.7-178.3173.6-178.80108.2V8K6-V8 PolarHBondContact O-N 2.81Å
7R33.5Very low51.4Low218 Ų218125.4 Ų125.482%0.82367%0.668SS**  trans-65.7116.3156.7-91.4-178.8170.3175-2.8105.8A5 K9A5-R7 VanDerWaalsContact C-N 3.27Å; A5-R7 PolarHBondContact O-N 3.31Å; R7-K9 PolarHBondContact O-N 2.89Å; R7-K9 VanDerWaalsContact O-N 3.11Å
8V34.8Very low53.8Low148 Ų148124.7 Ų124.790%0.89766%0.66SS**  trans-69.5100163.8179.70000106K6K6-V8 PolarHBondContact O-N 2.81Å
9K42.4Very low56Low177 Ų177122.5 Ų122.577%0.7765%0.648SS**  trans-153.4129.4172.1-105.9-169.8173-163.40108R7R7-K9 PolarHBondContact O-N 2.89Å; R7-K9 VanDerWaalsContact O-N 3.11Å
10V44.7Very low58Low101 Ų101116.4 Ų116.461%0.61262%0.616SS**SBendtrans146.5-31.1146.3172.30000113.8S14V10-S14 PolarHBondContact O-N 2.82Å
11D49.5Very low59.8Low129 Ų129113.8 Ų113.869%0.6960%0.602SS**Hα-helixtrans-67.8-46.7-173.1-74-21.4000114.7A13 S14 E15D11-A13 PolarHBondContact O-N 2.89Å; D11-S14 PolarHBondContact O-N 3.09Å; D11-E15 WeakPolarHBondContact O-CG 3.38Å; D11-E15 PolarHBondContact O-N 3.32Å
12D61.2Low63.1Low98 Ų98106.4 Ų106.452%0.52457%0.565SS.*Hα-helixtrans-70.5-31.2-172.4177.174.1000114.9R16D12-R16 WeakPolarHBondContact O-CG 3.33Å; D12-R16 PolarHBondContact O-N 2.72Å; D12-R16 PolarHBondContact O-NE 3.24Å; D12-R16 IonicContact OD2-CZ 3.06Å; D12-R16 IonicContact OD2-NE 3.45Å; D12-R16 PolarHBondContact OD2-NE 3.39Å; D12-R16 VanDerWaalsContact OD2-NE 3.16Å; D12-R16 IonicContact OD2-NH2 3.98Å; D12-R16 PolarHBondContact OD2-NH2 3.45Å
13A70.8Confident66.2Low36 Ų36102 Ų10230%0.29853%0.527SS..Hα-helixtrans-76.4-37.1176.700000111.4D11 L17D11-A13 PolarHBondContact O-N 2.89Å; A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 PolarHBondContact O-N 3.17Å
14S78.9Confident69.7Low71 Ų7195.3 Ų95.350%0.49749%0.486SS..Hα-helixtrans-66.1-39.5175.6-172.70000111.7V10 D11 Q18V10-S14 PolarHBondContact O-N 2.82Å; D11-S14 PolarHBondContact O-N 3.09Å; S14-Q18 WeakPolarHBondContact O-CB 3.15Å; S14-Q18 PolarHBondContact O-N 3.11Å
15E87.9Confident72.4Confident116 Ų11693.1 Ų93.154%0.54248%0.48SS..Hα-helixtrans-64.7-48.5176-75.3179.5-17900111.7D11 L17 Q18 D19D11-E15 WeakPolarHBondContact O-CG 3.38Å; D11-E15 PolarHBondContact O-N 3.32Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.1Å; E15-Q18 WeakPolarHBondContact O-CB 3.49Å; E15-Q18 PolarHBondContact O-N 3.24Å; E15-Q18 VanDerWaalsContact O-N 3.14Å; E15-D19 PolarHBondContact O-N 3.16Å
16R91.8Very high75.8Confident79 Ų7995.8 Ų95.830%0.29847%0.47SS..Hα-helixtrans-59.9-41.5177.3-74.5-175.2-79.3153.5-8.4112.8D12 Q18 D19 F20 S116 L117D12-R16 WeakPolarHBondContact O-CG 3.33Å; D12-R16 PolarHBondContact O-N 2.72Å; D12-R16 PolarHBondContact O-NE 3.24Å; D12-R16 IonicContact OD2-CZ 3.06Å; D12-R16 IonicContact OD2-NE 3.45Å; D12-R16 PolarHBondContact OD2-NE 3.39Å; D12-R16 VanDerWaalsContact OD2-NE 3.16Å; D12-R16 IonicContact OD2-NH2 3.98Å; D12-R16 PolarHBondContact OD2-NH2 3.45Å; R16-Q18 VanDerWaalsContact C-N 3.34Å; R16-D19 PolarHBondContact O-N 2.94Å; R16-F20 PolarHBondContact O-N 3.18Å; R16-S116 WeakPolarHBondContact CD-O 3.46Å; R16-S116 PolarHBondContact NH1-O 3.32Å; R16-L117 HydrophobicContact CB-CD2 3.86Å
17L92.4Very high78.8Confident26 Ų2688.1 Ų88.114%0.13644%0.439CS..Hα-helixtrans-64.2-41.2176.1-178.659.7000111.4A13 E15 F20 L21 L37 L117A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 PolarHBondContact O-N 3.17Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.1Å; L17-F20 HydrophobicContact CD1-CD1 4.4Å; L17-F20 PolarHBondContact O-N 3.06Å; L17-L21 HydrophobicContact CD1-CG 4.49Å; L17-L21 HydrophobicContact CG-CD1 4.38Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.34Å; L17-L37 HydrophobicContact CD1-CB 3.96Å; L17-L37 HydrophobicContact CD1-CD1 3.76Å; L17-L37 HydrophobicContact CD2-CB 4.39Å; L17-L117 HydrophobicContact CD1-CD1 4.26Å
18Q93.9Very high81.9Confident112 Ų11279.7 Ų79.752%0.52342%0.42SS..Hα-helixtrans-64.1-42176.4-172.5175.59.300111.9S14 E15 R16 F20 L21 Q22S14-Q18 WeakPolarHBondContact O-CB 3.15Å; S14-Q18 PolarHBondContact O-N 3.11Å; E15-Q18 WeakPolarHBondContact O-CB 3.49Å; E15-Q18 PolarHBondContact O-N 3.24Å; E15-Q18 VanDerWaalsContact O-N 3.14Å; R16-Q18 VanDerWaalsContact C-N 3.34Å; Q18-F20 VanDerWaalsContact C-N 3.31Å; Q18-F20 PolarHBondContact O-N 3.2Å; Q18-L21 PolarHBondContact O-N 3.01Å; Q18-Q22 WeakPolarHBondContact O-CG 3.4Å; Q18-Q22 PolarHBondContact O-N 3.45Å
19D95.5Very high84.9Confident84 Ų8472.8 Ų72.845%0.44938%0.378SS..Hα-helixtrans-62.2-39.3175.9-79.1-10.3000112E15 R16 W23E15-D19 PolarHBondContact O-N 3.16Å; R16-D19 PolarHBondContact O-N 2.94Å; D19-W23 WeakPolarHBondContact O-CB 3.3Å; D19-W23 PolarHBondContact O-N 3.1Å
20F96.6Very high87.5Confident0 Ų069 Ų690%037%0.369CS..Hα-helixtrans-64.5-47173.8173.6-112.1000112.1R16 L17 Q18 Q22 W23 C24 L37 Y114 L117 P221 M222R16-F20 PolarHBondContact O-N 3.18Å; L17-F20 HydrophobicContact CD1-CD1 4.4Å; L17-F20 PolarHBondContact O-N 3.06Å; Q18-F20 VanDerWaalsContact C-N 3.31Å; Q18-F20 PolarHBondContact O-N 3.2Å; F20-Q22 VanDerWaalsContact C-N 3.32Å; F20-Q22 PolarHBondContact O-N 3.48Å; F20-W23 AromaticContact CD2-CE3 3.89Å; F20-W23 HydrophobicContact CD2-CE3 3.89Å; F20-W23 HydrophobicContact CD2-CZ3 4.37Å; F20-W23 AromaticContact CE2-CE3 3.76Å; F20-W23 HydrophobicContact CE2-CE3 3.76Å; F20-W23 AromaticContact CE2-CZ3 3.79Å; F20-W23 HydrophobicContact CE2-CZ3 3.79Å; F20-W23 CarbonylContact O-C 3.53Å; F20-W23 WeakPolarHBondContact O-CA 3.45Å; F20-W23 VanDerWaalsContact O-CB 3.28Å; F20-W23 WeakPolarHBondContact O-CB 3.4Å; F20-W23 PolarHBondContact O-N 3.4Å; F20-C24 VanDerWaalsContact CZ-SG 3.59Å; F20-C24 PolarHBondContact O-N 3.17Å; F20-C24 PolarHBondContact O-SG 3.05Å; F20-L37 HydrophobicContact CD1-CD1 4.13Å; F20-L37 HydrophobicContact CE1-CD1 3.81Å; F20-Y114 AromaticContact CE2-CD2 3.98Å; F20-Y114 HydrophobicContact CE2-CD2 3.98Å; F20-Y114 HydrophobicContact CE2-CG 4.35Å; F20-L117 HydrophobicContact CB-CD1 3.51Å; F20-L117 HydrophobicContact CB-CG 4.08Å; F20-L117 HydrophobicContact CD1-CD1 3.38Å; F20-L117 HydrophobicContact CD2-CD1 4.01Å; F20-L117 HydrophobicContact CE1-CD1 4.05Å; F20-L117 HydrophobicContact CG-CD1 3.34Å; F20-L117 HydrophobicContact CG-CG 4.29Å; F20-P221 HydrophobicContact CE2-CB 4.2Å; F20-P221 HydrophobicContact CZ-CB 4.39Å; F20-M222 HydrophobicContact CE1-CE 3.68Å; F20-M222 HydrophobicContact CE1-SD 4.48Å; F20-M222 HydrophobicContact CZ-CB 4.36Å; F20-M222 HydrophobicContact CZ-CE 4.24Å
21L96Very high90Very high61 Ų6166.6 Ų66.632%0.31935%0.352SS..Hα-helixtrans-62.2-39.5178-68.3173.7000111.9L17 Q18 W23 C24 D25 L31 L37 M222L17-L21 HydrophobicContact CD1-CG 4.49Å; L17-L21 HydrophobicContact CG-CD1 4.38Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.34Å; Q18-L21 PolarHBondContact O-N 3.01Å; L21-W23 VanDerWaalsContact C-N 3.27Å; L21-W23 PolarHBondContact O-N 3.46Å; L21-C24 WeakPolarHBondContact O-CB 3.45Å; L21-C24 PolarHBondContact O-N 3.43Å; L21-D25 PolarHBondContact O-N 2.67Å; L21-L31 HydrophobicContact CD2-CD2 4.31Å; L21-L37 HydrophobicContact CD2-CD1 4.48Å; L21-M222 HydrophobicContact CD2-CE 4.21Å
22Q96.9Very high92.3Very high83 Ų8362 Ų6239%0.38833%0.33SS..Hα-helixtrans-65.4-32.2172.2-69.4177.322.200112.5Q18 F20 R26Q18-Q22 WeakPolarHBondContact O-CG 3.4Å; Q18-Q22 PolarHBondContact O-N 3.45Å; F20-Q22 VanDerWaalsContact C-N 3.32Å; F20-Q22 PolarHBondContact O-N 3.48Å; Q22-R26 WeakPolarHBondContact O-CG 3.5Å; Q22-R26 PolarHBondContact O-N 3.44Å; Q22-R26 PolarHBondContact O-NH1 3.05Å
23W98Very high94.1Very high5 Ų566.5 Ų66.52%0.01935%0.345CS..Hα-helixtrans-68.1-42173.5176.587.4000111.5D19 F20 L21 D25 R26 V27 A67 H110 W111 P113 P221D19-W23 WeakPolarHBondContact O-CB 3.3Å; D19-W23 PolarHBondContact O-N 3.1Å; F20-W23 AromaticContact CD2-CE3 3.89Å; F20-W23 HydrophobicContact CD2-CE3 3.89Å; F20-W23 HydrophobicContact CD2-CZ3 4.37Å; F20-W23 AromaticContact CE2-CE3 3.76Å; F20-W23 HydrophobicContact CE2-CE3 3.76Å; F20-W23 AromaticContact CE2-CZ3 3.79Å; F20-W23 HydrophobicContact CE2-CZ3 3.79Å; F20-W23 CarbonylContact O-C 3.53Å; F20-W23 WeakPolarHBondContact O-CA 3.45Å; F20-W23 VanDerWaalsContact O-CB 3.28Å; F20-W23 WeakPolarHBondContact O-CB 3.4Å; F20-W23 PolarHBondContact O-N 3.4Å; L21-W23 VanDerWaalsContact C-N 3.27Å; L21-W23 PolarHBondContact O-N 3.46Å; W23-D25 VanDerWaalsContact C-N 3.29Å; W23-D25 PolarHBondContact O-N 3.34Å; W23-R26 WeakPolarHBondContact O-CB 3.44Å; W23-R26 PolarHBondContact O-N 2.99Å; W23-V27 HydrophobicContact CD2-CG1 4.08Å; W23-V27 HydrophobicContact CD2-CG2 4.3Å; W23-V27 HydrophobicContact CE3-CG2 4.17Å; W23-V27 HydrophobicContact CG-CG1 4.45Å; W23-V27 HydrophobicContact CH2-CG1 4.42Å; W23-V27 HydrophobicContact CH2-CG2 4.04Å; W23-V27 HydrophobicContact CZ2-CB 4.5Å; W23-V27 HydrophobicContact CZ2-CG1 3.74Å; W23-V27 HydrophobicContact CZ2-CG2 4.2Å; W23-V27 HydrophobicContact CZ3-CG2 4.03Å; W23-V27 WeakPolarHBondContact O-CG2 3.38Å; W23-V27 PolarHBondContact O-N 3.49Å; W23-A67 HydrophobicContact CH2-CB 4.44Å; W23-H110 AromaticContact CZ2-NE2 3.94Å; W23-H110 AromaticContact NE1-CE1 3.91Å; W23-H110 AromaticContact NE1-NE2 3.83Å; W23-H110 PolarHBondContact NE1-O 2.98Å; W23-W111 AromaticContact CH2-CD1 3.89Å; W23-W111 AromaticContact CZ2-CD1 3.65Å; W23-W111 HydrophobicContact CZ2-CG 4.37Å; W23-P113 HydrophobicContact CB-CB 3.63Å; W23-P113 HydrophobicContact CB-CG 3.78Å; W23-P113 HydrophobicContact CG-CB 3.9Å; W23-P113 HydrophobicContact CG-CG 3.83Å; W23-P221 HydrophobicContact CH2-CB 4Å; W23-P221 HydrophobicContact CH2-CG 3.88Å; W23-P221 HydrophobicContact CZ3-CB 3.79Å; W23-P221 HydrophobicContact CZ3-CG 4.21Å
24C97.9Very high95.4Very high4 Ų466.7 Ų66.73%0.02734%0.339CS..Hα-helixtrans-51.6-48.9173.1-65.20000111.3F20 L21 R26 V27 G28 L29F20-C24 VanDerWaalsContact CZ-SG 3.59Å; F20-C24 PolarHBondContact O-N 3.17Å; F20-C24 PolarHBondContact O-SG 3.05Å; L21-C24 WeakPolarHBondContact O-CB 3.45Å; L21-C24 PolarHBondContact O-N 3.43Å; C24-R26 VanDerWaalsContact C-N 3.31Å; C24-R26 PolarHBondContact O-N 3.17Å; C24-V27 WeakPolarHBondContact O-CG2 3.49Å; C24-V27 PolarHBondContact O-N 3.11Å; C24-G28 PolarHBondContact O-N 2.98Å; C24-G28 VanDerWaalsContact O-N 3.12Å; C24-L29 HydrophobicContact CB-CB 3.94Å; C24-L29 HydrophobicContact CB-CD1 4.48Å; C24-L29 HydrophobicContact CB-CD2 4.05Å; C24-L29 HydrophobicContact CB-CG 4.37Å; C24-L29 PolarHBondContact O-N 3.46Å
25D96.9Very high96.3Very high129 Ų12963.4 Ų63.469%0.6932%0.316SS*.Hα-helixtrans-58.8-40.6177-68.8-28.8000112.4L21 W23L21-D25 PolarHBondContact O-N 2.67Å; W23-D25 VanDerWaalsContact C-N 3.29Å; W23-D25 PolarHBondContact O-N 3.34Å
26R97.8Very high96.6Very high151 Ų15159.5 Ų59.557%0.5730%0.301SS*.Hα-helixtrans-69.5-34.7-179.6-71.5-172.9-58.9-93.67113.3Q22 W23 C24 G28Q22-R26 WeakPolarHBondContact O-CG 3.5Å; Q22-R26 PolarHBondContact O-N 3.44Å; Q22-R26 PolarHBondContact O-NH1 3.05Å; W23-R26 WeakPolarHBondContact O-CB 3.44Å; W23-R26 PolarHBondContact O-N 2.99Å; C24-R26 VanDerWaalsContact C-N 3.31Å; C24-R26 PolarHBondContact O-N 3.17Å; R26-G28 VanDerWaalsContact C-N 3.34Å
27V97.7Very high96.8Very high23 Ų2356.5 Ų56.514%0.13929%0.291CS..Hα-helixtrans-89.7-1.7-178.7-56.90000113.1W23 C24 L29 P64 A67 H110W23-V27 HydrophobicContact CD2-CG1 4.08Å; W23-V27 HydrophobicContact CD2-CG2 4.3Å; W23-V27 HydrophobicContact CE3-CG2 4.17Å; W23-V27 HydrophobicContact CG-CG1 4.45Å; W23-V27 HydrophobicContact CH2-CG1 4.42Å; W23-V27 HydrophobicContact CH2-CG2 4.04Å; W23-V27 HydrophobicContact CZ2-CB 4.5Å; W23-V27 HydrophobicContact CZ2-CG1 3.74Å; W23-V27 HydrophobicContact CZ2-CG2 4.2Å; W23-V27 HydrophobicContact CZ3-CG2 4.03Å; W23-V27 WeakPolarHBondContact O-CG2 3.38Å; W23-V27 PolarHBondContact O-N 3.49Å; C24-V27 WeakPolarHBondContact O-CG2 3.49Å; C24-V27 PolarHBondContact O-N 3.11Å; V27-L29 HydrophobicContact CG2-CB 4.12Å; V27-P64 WeakPolarHBondContact O-CG 3.38Å; V27-A67 HydrophobicContact CB-CB 4.16Å; V27-A67 HydrophobicContact CG2-CB 3.85Å; V27-H110 WeakPolarHBondContact CG1-NE2 3.25Å
28G97.7Very high96.7Very high41 Ų4156.4 Ų56.442%0.42329%0.293SS..THydrogen-bonded Turntrans81.419.1179.300000114.2C24 R26 V30 P64C24-G28 PolarHBondContact O-N 2.98Å; C24-G28 VanDerWaalsContact O-N 3.12Å; R26-G28 VanDerWaalsContact C-N 3.34Å; G28-V30 PolarHBondContact O-N 2.9Å; G28-P64 WeakPolarHBondContact O-CD 3.26Å
29L98.3Very high96.4Very high3 Ų354.8 Ų54.82%0.01629%0.29CS..PPolyproline II helixtrans-76.5118.9170.5-172162.9000108.6C24 V27 T62 I63 M222C24-L29 HydrophobicContact CB-CB 3.94Å; C24-L29 HydrophobicContact CB-CD1 4.48Å; C24-L29 HydrophobicContact CB-CD2 4.05Å; C24-L29 HydrophobicContact CB-CG 4.37Å; C24-L29 PolarHBondContact O-N 3.46Å; V27-L29 HydrophobicContact CG2-CB 4.12Å; L29-T62 CarbonylContact C-O 3.56Å; L29-T62 WeakPolarHBondContact CA-O 3.5Å; L29-I63 HydrophobicContact CD1-CB 4.5Å; L29-I63 HydrophobicContact CD1-CG1 3.86Å; L29-I63 HydrophobicContact CD1-CG2 4.26Å; L29-I63 HydrophobicContact CG-CG1 3.99Å; L29-M222 HydrophobicContact CD1-CB 3.85Å; L29-M222 HydrophobicContact CD2-CB 4.41Å; L29-M222 HydrophobicContact CD2-CE 4.18Å; L29-M222 HydrophobicContact CD2-CG 4.43Å
30V97.7Very high96.2Very high96 Ų9657.7 Ų57.758%0.58230%0.301SS*.EExtended strand (participates in β ladder)trans-103.9119.3-174.3-177.50000109.8G28 F61 T62G28-V30 PolarHBondContact O-N 2.9Å; V30-F61 CarbonylContact O-C 3.59Å; V30-F61 WeakPolarHBondContact O-CA 3.42Å; V30-F61 VanDerWaalsContact O-CB 3.28Å; V30-F61 WeakPolarHBondContact O-CB 3.37Å; V30-T62 PolarHBondContact N-O 3.03Å; V30-T62 PolarHBondContact O-N 3.25Å
31L97.4Very high95.7Very high51 Ų5161 Ų6127%0.26734%0.336SS..EExtended strand (participates in β ladder)trans-101.5135177.1-17064.7000110.8L21 V35 M48 F61 M222L21-L31 HydrophobicContact CD2-CD2 4.31Å; L31-V35 HydrophobicContact CD1-CG2 3.44Å; L31-V35 VanDerWaalsContact CD1-CG2 3.44Å; L31-V35 HydrophobicContact CD2-CG2 4.46Å; L31-V35 HydrophobicContact CG-CG2 3.79Å; L31-M48 HydrophobicContact CD1-CE 3.8Å; L31-F61 HydrophobicContact CD1-CB 3.75Å; L31-F61 HydrophobicContact CD1-CD1 3.99Å; L31-F61 HydrophobicContact CD1-CG 4.22Å; L31-M222 HydrophobicContact CD1-CE 4.28Å; L31-M222 HydrophobicContact CD1-SD 4.26Å; L31-M222 HydrophobicContact CD2-CE 4.32Å
32S97.9Very high95.4Very high32 Ų3259.3 Ų59.322%0.22433%0.328CS..PPolyproline II helixtrans-62.6143.4172.6176.90000110.9K34 V35 L60S32-K34 PolarHBondContact O-N 2.84Å; S32-K34 PolarHBondContact OG-N 3.07Å; S32-V35 WeakPolarHBondContact O-CG2 3.15Å; S32-V35 PolarHBondContact O-N 3.44Å; S32-L60 WeakPolarHBondContact CB-O 3.39Å; S32-L60 PolarHBondContact N-O 2.69Å
33K97.4Very high94.9Very high194 Ų19460.1 Ų60.184%0.84334%0.338SS*.THydrogen-bonded Turntrans-66.8-17.6174.9-65.3-179.1-177.4174.90112.5V35 K51K33-V35 VanDerWaalsContact C-N 3.27Å; K33-V35 PolarHBondContact O-N 3.08Å; K33-K51 WeakPolarHBondContact O-CD 3.19Å
34K98.3Very high94.2Very high40 Ų4062.3 Ų62.317%0.17436%0.358CS..THydrogen-bonded Turntrans-77.1-7.3179.2-58.8-157.9172.7179.40114S32 A50 K51 E52 D53 I54 E58S32-K34 PolarHBondContact O-N 2.84Å; S32-K34 PolarHBondContact OG-N 3.07Å; K34-A50 CarbonylContact O-C 3.44Å; K34-K51 WeakPolarHBondContact O-CB 3.35Å; K34-K51 PolarHBondContact O-N 3.39Å; K34-E52 HydrophobicContact CB-CG 4.09Å; K34-E52 HydrophobicContact CD-CG 3.89Å; K34-E52 VanDerWaalsContact CE-OE1 3.26Å; K34-E52 WeakPolarHBondContact CE-OE1 3.28Å; K34-E52 HydrophobicContact CG-CG 3.82Å; K34-E52 VanDerWaalsContact CG-OE1 3.26Å; K34-E52 WeakPolarHBondContact CG-OE1 3.4Å; K34-D53 PolarHBondContact NZ-O 3.32Å; K34-D53 VanDerWaalsContact NZ-O 3.15Å; K34-I54 HydrophobicContact CB-CD1 4.08Å; K34-I54 HydrophobicContact CB-CG1 4.05Å; K34-I54 HydrophobicContact CD-CG1 4.02Å; K34-E58 WeakPolarHBondContact CE-OE2 3.46Å; K34-E58 VanDerWaalsContact NZ-CD 3.29Å; K34-E58 IonicContact NZ-OE1 2.62Å; K34-E58 PolarHBondContact NZ-OE1 2.88Å; K34-E58 IonicContact NZ-OE2 2.85Å; K34-E58 PolarHBondContact NZ-OE2 3.41Å
35V97.6Very high93.6Very high1 Ų167.6 Ų67.61%0.00639%0.386CS..EExtended strand (participates in β ladder)trans-124.9162-178.1-63.10000112.3L31 S32 K33 M48 L49 K51 I54 L60 V257L31-V35 HydrophobicContact CD1-CG2 3.44Å; L31-V35 VanDerWaalsContact CD1-CG2 3.44Å; L31-V35 HydrophobicContact CD2-CG2 4.46Å; L31-V35 HydrophobicContact CG-CG2 3.79Å; S32-V35 WeakPolarHBondContact O-CG2 3.15Å; S32-V35 PolarHBondContact O-N 3.44Å; K33-V35 VanDerWaalsContact C-N 3.27Å; K33-V35 PolarHBondContact O-N 3.08Å; V35-M48 HydrophobicContact CB-CG 3.86Å; V35-M48 HydrophobicContact CB-SD 3.72Å; V35-M48 HydrophobicContact CG1-CG 4.3Å; V35-M48 HydrophobicContact CG1-SD 4Å; V35-M48 HydrophobicContact CG2-CE 4.41Å; V35-M48 HydrophobicContact CG2-CG 4.45Å; V35-M48 HydrophobicContact CG2-SD 3.76Å; V35-L49 CarbonylContact C-O 3.59Å; V35-L49 VanDerWaalsContact CA-O 3.28Å; V35-L49 WeakPolarHBondContact CA-O 3.5Å; V35-K51 WeakPolarHBondContact O-CE 3.42Å; V35-K51 PolarHBondContact O-NZ 3.21Å; V35-I54 HydrophobicContact CG1-CD1 3.65Å; V35-L60 HydrophobicContact CG1-CD2 4.25Å; V35-V257 HydrophobicContact CG1-CG2 4.44Å
36C95.7Very high93.3Very high35 Ų3563 Ų6324%0.23636%0.359CS..EExtended strand (participates in β ladder)trans-146.8147.6164.445.30000111.5M48 L49 K51C36-M48 CarbonylContact O-C 3.58Å; C36-M48 WeakPolarHBondContact O-CA 3.43Å; C36-L49 PolarHBondContact N-O 3.39Å; C36-L49 PolarHBondContact O-N 2.92Å; C36-K51 HydrophobicContact CB-CD 4.47Å; C36-K51 VanDerWaalsContact CB-CE 3.42Å; C36-K51 VanDerWaalsContact SG-CE 3.56Å
37L94.3Very high93.1Very high15 Ų1555.8 Ų55.88%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-72.1140.6160.3-69.7177.1000110.5L17 F20 L21 G47 M48 M222 M225L17-L37 HydrophobicContact CD1-CB 3.96Å; L17-L37 HydrophobicContact CD1-CD1 3.76Å; L17-L37 HydrophobicContact CD2-CB 4.39Å; F20-L37 HydrophobicContact CD1-CD1 4.13Å; F20-L37 HydrophobicContact CE1-CD1 3.81Å; L21-L37 HydrophobicContact CD2-CD1 4.48Å; L37-G47 CarbonylContact C-O 3.58Å; L37-G47 WeakPolarHBondContact CA-O 3.44Å; L37-M48 HydrophobicContact CD2-CB 4.2Å; L37-M48 HydrophobicContact CD2-CE 4Å; L37-M48 HydrophobicContact CG-CE 4.45Å; L37-M222 HydrophobicContact CD1-CE 3.76Å; L37-M222 HydrophobicContact CD1-SD 3.57Å; L37-M222 VanDerWaalsContact CD1-SD 3.57Å; L37-M222 HydrophobicContact CD2-SD 3.84Å; L37-M222 HydrophobicContact CG-CE 4.33Å; L37-M222 HydrophobicContact CG-SD 3.75Å; L37-M225 HydrophobicContact CD2-CB 3.91Å
38S90.5Very high93.1Very high25 Ų2554.7 Ų54.718%0.17533%0.325CS..EExtended strand (participates in β ladder)trans-145.3158.4179.7-170.60000110.5E40 Y46 G47S38-E40 PolarHBondContact OG-N 2.75Å; S38-E40 PolarHBondContact OG-O 3.42Å; S38-Y46 WeakPolarHBondContact O-CA 3.44Å; S38-G47 PolarHBondContact N-O 3.45Å; S38-G47 PolarHBondContact O-N 3.09Å
39T89.2Confident93.1Very high77 Ų7753.8 Ų53.847%0.47231%0.31SS..SBendtrans-111.51.4163.461.60000112.2D45 Y46T39-D45 WeakPolarHBondContact CA-O 3.41Å; T39-D45 WeakPolarHBondContact CB-O 3.45Å; T39-D45 WeakPolarHBondContact CG2-O 3.32Å; T39-Y46 HydrophobicContact CG2-CD1 3.37Å; T39-Y46 HydrophobicContact CG2-CE1 3.28Å; T39-Y46 HydrophobicContact CG2-CG 4.16Å
40E89.7Confident93Very high145 Ų14553.7 Ų53.768%0.67831%0.31SS*.SBendtrans-115.2134.2177.9-63-172.5174.800108.6S38 T42 L49S38-E40 PolarHBondContact OG-N 2.75Å; S38-E40 PolarHBondContact OG-O 3.42Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-L49 WeakPolarHBondContact O-CD1 3.47Å
41G86Confident93Very high70 Ų7054 Ų5472%0.72230%0.303SS*.SBendtrans8210.5-178.400000114.7
42T90.2Very high93.1Very high26 Ų2656.3 Ų56.316%0.1631%0.313CS..SBendtrans-105.6154.3-17953.20000111.5E40 A44 L49 E256E40-T42 VanDerWaalsContact C-N 3.34Å; T42-A44 VanDerWaalsContact C-N 3.28Å; T42-A44 PolarHBondContact O-N 2.69Å; T42-A44 PolarHBondContact OG1-O 3.28Å; T42-L49 HydrophobicContact CG2-CD2 4.2Å; T42-L49 HydrophobicContact CG2-CG 4.49Å; T42-E256 VanDerWaalsContact CA-OE2 3.31Å; T42-E256 WeakPolarHBondContact CA-OE2 3.49Å; T42-E256 WeakPolarHBondContact CB-OE1 3.24Å
43V86.1Confident93.1Very high100 Ų10058.9 Ų58.961%0.60632%0.324SS*.SBendtrans-68.8-25.6177.6-660000113.6N227 E256 F258V43-N227 HydrophobicContact CG2-CB 3.61Å; V43-E256 WeakPolarHBondContact CG1-OE2 3.31Å; V43-E256 PolarHBondContact N-OE2 3.19Å; V43-F258 HydrophobicContact CB-CE1 4.45Å; V43-F258 HydrophobicContact CG1-CE1 3.91Å; V43-F258 HydrophobicContact CG1-CZ 3.75Å; V43-F258 HydrophobicContact CG2-CE1 3.68Å; V43-F258 HydrophobicContact CG2-CZ 4.34Å
44A84.1Confident93.2Very high51 Ų5149.7 Ų49.742%0.42128%0.284SS..SBendtrans-134.5-163.2179.500000111.1T42 N227T42-A44 VanDerWaalsContact C-N 3.28Å; T42-A44 PolarHBondContact O-N 2.69Å; T42-A44 PolarHBondContact OG1-O 3.28Å; A44-N227 WeakPolarHBondContact CB-OD1 3.41Å
45D84.4Confident93.2Very high115 Ų11553.5 Ų53.562%0.61530%0.302SS*.SBendtrans-54.7-69.9-173.4-78.7-32.5000112.8T39T39-D45 WeakPolarHBondContact CA-O 3.41Å; T39-D45 WeakPolarHBondContact CB-O 3.45Å; T39-D45 WeakPolarHBondContact CG2-O 3.32Å
46Y91.1Very high93.2Very high32 Ų3260.3 Ų60.313%0.12533%0.334CS..SBendtrans-101.9156.2171.3-69.6-76.7000109.9S38 T39 L117 M225 N227S38-Y46 WeakPolarHBondContact O-CA 3.44Å; T39-Y46 HydrophobicContact CG2-CD1 3.37Å; T39-Y46 HydrophobicContact CG2-CE1 3.28Å; T39-Y46 HydrophobicContact CG2-CG 4.16Å; Y46-L117 HydrophobicContact CE2-CB 4.5Å; Y46-M225 HydrophobicContact CD2-SD 4.25Å; Y46-M225 HydrophobicContact CG-SD 4.3Å; Y46-N227 PolarHBondContact O-ND2 2.95Å
47G94.2Very high93.3Very high0 Ų061 Ų610%035%0.348CS..EExtended strand (participates in β ladder)trans-165172.7170.800000109.9L37 S38 M225L37-G47 CarbonylContact C-O 3.58Å; L37-G47 WeakPolarHBondContact CA-O 3.44Å; S38-G47 PolarHBondContact N-O 3.45Å; S38-G47 PolarHBondContact O-N 3.09Å; G47-M225 WeakPolarHBondContact CA-O 3.31Å
48M96.6Very high93.5Very high0 Ų062.8 Ų62.80%036%0.356CS..EExtended strand (participates in β ladder)trans-111.2134.7176.6-179.3172.4-66.100109.5L31 V35 C36 L37 F61 M222 L226 E256 V257L31-M48 HydrophobicContact CD1-CE 3.8Å; V35-M48 HydrophobicContact CB-CG 3.86Å; V35-M48 HydrophobicContact CB-SD 3.72Å; V35-M48 HydrophobicContact CG1-CG 4.3Å; V35-M48 HydrophobicContact CG1-SD 4Å; V35-M48 HydrophobicContact CG2-CE 4.41Å; V35-M48 HydrophobicContact CG2-CG 4.45Å; V35-M48 HydrophobicContact CG2-SD 3.76Å; C36-M48 CarbonylContact O-C 3.58Å; C36-M48 WeakPolarHBondContact O-CA 3.43Å; L37-M48 HydrophobicContact CD2-CB 4.2Å; L37-M48 HydrophobicContact CD2-CE 4Å; L37-M48 HydrophobicContact CG-CE 4.45Å; M48-F61 HydrophobicContact CE-CD1 3.6Å; M48-F61 HydrophobicContact CE-CE1 3.46Å; M48-F61 VanDerWaalsContact CE-CE1 3.46Å; M48-F61 HydrophobicContact CE-CZ 4.48Å; M48-F61 HydrophobicContact SD-CD1 3.9Å; M48-F61 HydrophobicContact SD-CE1 3.73Å; M48-M222 HydrophobicContact CE-CG 4.12Å; M48-M222 HydrophobicContact CE-SD 3.46Å; M48-M222 WeakPolarHBondContact CE-SD 3.36Å; M48-L226 HydrophobicContact CB-CD1 3.94Å; M48-L226 HydrophobicContact CB-CG 4.2Å; M48-L226 HydrophobicContact CE-CD1 3.91Å; M48-L226 HydrophobicContact SD-CD1 4.24Å; M48-E256 CarbonylContact O-C 3.49Å; M48-E256 WeakPolarHBondContact O-CA 3.19Å; M48-V257 HydrophobicContact CB-CB 4.06Å; M48-V257 HydrophobicContact CB-CG2 4.25Å; M48-V257 HydrophobicContact CG-CB 4.17Å; M48-V257 HydrophobicContact CG-CG2 3.86Å; M48-V257 PolarHBondContact O-N 2.94Å; M48-V257 HydrophobicContact SD-CG2 4.34Å
49L97.6Very high93.9Very high22 Ų2264.7 Ų64.712%0.11537%0.366CS..EExtended strand (participates in β ladder)trans-116.6144.7178.4-58.3-179.2000110.9V35 C36 E40 T42 E255 E256V35-L49 CarbonylContact C-O 3.59Å; V35-L49 VanDerWaalsContact CA-O 3.28Å; V35-L49 WeakPolarHBondContact CA-O 3.5Å; C36-L49 PolarHBondContact N-O 3.39Å; C36-L49 PolarHBondContact O-N 2.92Å; E40-L49 WeakPolarHBondContact O-CD1 3.47Å; T42-L49 HydrophobicContact CG2-CD2 4.2Å; T42-L49 HydrophobicContact CG2-CG 4.49Å; L49-E255 WeakPolarHBondContact CA-O 3.36Å; L49-E256 HydrophobicContact CD2-CB 3.71Å; L49-E256 HydrophobicContact CD2-CG 4.15Å
50A98.1Very high94.3Very high1 Ų161 Ų611%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-73.7129167.500000110.4K34 I54 L251 H252 D254 E255K34-A50 CarbonylContact O-C 3.44Å; A50-I54 HydrophobicContact CB-CD1 3.82Å; A50-I54 HydrophobicContact CB-CG1 4.27Å; A50-L251 HydrophobicContact CB-CB 4.47Å; A50-H252 WeakPolarHBondContact CB-O 3.44Å; A50-D254 VanDerWaalsContact O-CA 3.31Å; A50-D254 WeakPolarHBondContact O-CA 3.47Å; A50-D254 PolarHBondContact O-N 2.83Å; A50-E255 PolarHBondContact N-O 3.48Å
51K97.7Very high94.7Very high102 Ų10254.2 Ų54.244%0.44331%0.312SS..SBendtrans-87.5-23.1176.1-72177.2168.5147.80113.2K33 K34 V35 C36 K253K33-K51 WeakPolarHBondContact O-CD 3.19Å; K34-K51 WeakPolarHBondContact O-CB 3.35Å; K34-K51 PolarHBondContact O-N 3.39Å; V35-K51 WeakPolarHBondContact O-CE 3.42Å; V35-K51 PolarHBondContact O-NZ 3.21Å; C36-K51 HydrophobicContact CB-CD 4.47Å; C36-K51 VanDerWaalsContact CB-CE 3.42Å; C36-K51 VanDerWaalsContact SG-CE 3.56Å; K51-K253 VanDerWaalsContact O-CD 3.31Å; K51-K253 WeakPolarHBondContact O-CD 3.33Å; K51-K253 VanDerWaalsContact O-CE 3.31Å; K51-K253 WeakPolarHBondContact O-CE 3.35Å; K51-K253 WeakPolarHBondContact O-CG 3.33Å
52E97.9Very high95.4Very high100 Ų10052.6 Ų52.647%0.46729%0.288SS..SBendtrans-151173.5176.861.7-176.9-170.900108.4K34 I54K34-E52 HydrophobicContact CB-CG 4.09Å; K34-E52 HydrophobicContact CD-CG 3.89Å; K34-E52 VanDerWaalsContact CE-OE1 3.26Å; K34-E52 WeakPolarHBondContact CE-OE1 3.28Å; K34-E52 HydrophobicContact CG-CG 3.82Å; K34-E52 VanDerWaalsContact CG-OE1 3.26Å; K34-E52 WeakPolarHBondContact CG-OE1 3.4Å; E52-I54 WeakPolarHBondContact O-CG1 3.32Å; E52-I54 PolarHBondContact O-N 3.43Å
53D98.3Very high95.7Very high86 Ų8651.4 Ų51.446%0.4628%0.28SS..  trans-63.4136.9179.8-61.3-18000110.7K34 L251 H252 K253K34-D53 PolarHBondContact NZ-O 3.32Å; K34-D53 VanDerWaalsContact NZ-O 3.15Å; D53-L251 WeakPolarHBondContact CA-O 3.37Å; D53-H252 WeakPolarHBondContact OD1-CA 3.45Å; D53-K253 PolarHBondContact OD1-N 2.96Å
54I98.6Very high96.3Very high1 Ų147.8 Ų47.81%0.00526%0.259CS..BIsolated β-bridgetrans-120.9122.7-178.5-53.7179.9000107.5K34 V35 A50 E52 E58 L60 C250 L251K34-I54 HydrophobicContact CB-CD1 4.08Å; K34-I54 HydrophobicContact CB-CG1 4.05Å; K34-I54 HydrophobicContact CD-CG1 4.02Å; V35-I54 HydrophobicContact CG1-CD1 3.65Å; A50-I54 HydrophobicContact CB-CD1 3.82Å; A50-I54 HydrophobicContact CB-CG1 4.27Å; E52-I54 WeakPolarHBondContact O-CG1 3.32Å; E52-I54 PolarHBondContact O-N 3.43Å; I54-E58 HydrophobicContact CG2-CB 3.68Å; I54-E58 HydrophobicContact CG2-CG 4.27Å; I54-L60 HydrophobicContact CD1-CD2 3.89Å; I54-L60 HydrophobicContact CG2-CD2 3.82Å; I54-C250 CarbonylContact O-C 3.55Å; I54-C250 VanDerWaalsContact O-CA 3.3Å; I54-C250 WeakPolarHBondContact O-CA 3.42Å; I54-L251 HydrophobicContact CB-CB 4.23Å; I54-L251 HydrophobicContact CB-CD1 4.11Å; I54-L251 HydrophobicContact CG2-CD1 4.25Å; I54-L251 PolarHBondContact N-O 3.06Å; I54-L251 PolarHBondContact O-N 3.21Å
55E98.4Very high96.9Very high119 Ų11948.8 Ų48.856%0.55625%0.252SS*.  trans-74160.8177.2-59.5-65.3158.600111E58 S247E55-E58 HydrophobicContact CB-CG 4.13Å; E55-E58 WeakPolarHBondContact CB-OE1 3.43Å; E55-E58 PolarHBondContact N-OE1 2.92Å; E55-E58 PolarHBondContact O-N 3.45Å; E55-S247 PolarHBondContact O-OG 2.83Å
56E98.1Very high97.5Very high144 Ų14447.4 Ų47.467%0.67325%0.251SS*.THydrogen-bonded Turntrans-61.5138.1171.3-176.6179.2155.900111.2E58E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.17Å
57G98.2Very high97.8Very high51 Ų5145.9 Ų45.953%0.52625%0.245SC..THydrogen-bonded Turntrans80.34.3-178.900000115.1S247G57-S247 WeakPolarHBondContact CA-O 3.48Å; G57-S247 PolarHBondContact N-O 2.97Å; G57-S247 PolarHBondContact N-OG 3.4Å
58E98.5Very high98Very high52 Ų5246 Ų4624%0.24325%0.246CC..  trans-74.8134.5174-75.2-164.3-121.200111.6K34 I54 E55 E56 L60 S247K34-E58 WeakPolarHBondContact CE-OE2 3.46Å; K34-E58 VanDerWaalsContact NZ-CD 3.29Å; K34-E58 IonicContact NZ-OE1 2.62Å; K34-E58 PolarHBondContact NZ-OE1 2.88Å; K34-E58 IonicContact NZ-OE2 2.85Å; K34-E58 PolarHBondContact NZ-OE2 3.41Å; I54-E58 HydrophobicContact CG2-CB 3.68Å; I54-E58 HydrophobicContact CG2-CG 4.27Å; E55-E58 HydrophobicContact CB-CG 4.13Å; E55-E58 WeakPolarHBondContact CB-OE1 3.43Å; E55-E58 PolarHBondContact N-OE1 2.92Å; E55-E58 PolarHBondContact O-N 3.45Å; E56-E58 VanDerWaalsContact C-N 3.32Å; E56-E58 PolarHBondContact O-N 3.17Å; E58-L60 PolarHBondContact O-N 3.31Å; E58-S247 PolarHBondContact N-OG 2.87Å; E58-S247 PolarHBondContact O-N 3.49Å; E58-S247 PolarHBondContact O-OG 3.47Å
59V98.5Very high98.1Very high64 Ų6446 Ų4639%0.38825%0.246SC..EExtended strand (participates in β ladder)trans-75.8118.8174.8-179.80000109.8K244 V246V59-K244 HydrophobicContact CG1-CB 4.41Å; V59-K244 HydrophobicContact CG2-CD 4.46Å; V59-V246 HydrophobicContact CG2-CG2 4.32Å
60L98.5Very high98.1Very high1 Ų146.3 Ų46.31%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-80.9-41.9179.7-52.1-172.3000111.3S32 V35 I54 E58 A234 M245 V257S32-L60 WeakPolarHBondContact CB-O 3.39Å; S32-L60 PolarHBondContact N-O 2.69Å; V35-L60 HydrophobicContact CG1-CD2 4.25Å; I54-L60 HydrophobicContact CD1-CD2 3.89Å; I54-L60 HydrophobicContact CG2-CD2 3.82Å; E58-L60 PolarHBondContact O-N 3.31Å; L60-A234 HydrophobicContact CD1-CB 3.82Å; L60-M245 HydrophobicContact CB-CB 4.39Å; L60-M245 HydrophobicContact CB-CG 4.29Å; L60-M245 HydrophobicContact CD1-CG 4Å; L60-M245 HydrophobicContact CG-CG 4.44Å; L60-M245 PolarHBondContact N-O 3.18Å; L60-V257 HydrophobicContact CD1-CB 4.46Å; L60-V257 HydrophobicContact CD1-CG1 3.37Å; L60-V257 HydrophobicContact CD1-CG2 4.26Å
61F98.6Very high97.9Very high1 Ų147.7 Ų47.70%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-159.7161.7171.949.3-90.5000112.2V30 L31 M48 I63 M222 A223 L226 K244 M245V30-F61 CarbonylContact O-C 3.59Å; V30-F61 WeakPolarHBondContact O-CA 3.42Å; V30-F61 VanDerWaalsContact O-CB 3.28Å; V30-F61 WeakPolarHBondContact O-CB 3.37Å; L31-F61 HydrophobicContact CD1-CB 3.75Å; L31-F61 HydrophobicContact CD1-CD1 3.99Å; L31-F61 HydrophobicContact CD1-CG 4.22Å; M48-F61 HydrophobicContact CE-CD1 3.6Å; M48-F61 HydrophobicContact CE-CE1 3.46Å; M48-F61 VanDerWaalsContact CE-CE1 3.46Å; M48-F61 HydrophobicContact CE-CZ 4.48Å; M48-F61 HydrophobicContact SD-CD1 3.9Å; M48-F61 HydrophobicContact SD-CE1 3.73Å; F61-I63 HydrophobicContact CD2-CD1 3.95Å; F61-I63 HydrophobicContact CD2-CG1 3.93Å; F61-I63 HydrophobicContact CE2-CD1 3.77Å; F61-I63 HydrophobicContact CE2-CG1 4.28Å; F61-M222 HydrophobicContact CD1-CG 4Å; F61-M222 HydrophobicContact CD2-CB 4.39Å; F61-M222 HydrophobicContact CD2-CG 3.77Å; F61-M222 HydrophobicContact CE1-CG 3.99Å; F61-M222 HydrophobicContact CE2-CB 4.24Å; F61-M222 HydrophobicContact CE2-CG 3.75Å; F61-M222 HydrophobicContact CG-CG 3.89Å; F61-M222 HydrophobicContact CZ-CG 3.85Å; F61-A223 HydrophobicContact CE2-CB 4.13Å; F61-A223 HydrophobicContact CZ-CB 4.38Å; F61-L226 HydrophobicContact CE1-CD1 3.85Å; F61-L226 HydrophobicContact CE1-CD2 4.22Å; F61-L226 HydrophobicContact CZ-CD1 3.89Å; F61-L226 HydrophobicContact CZ-CD2 4.29Å; F61-K244 WeakPolarHBondContact O-CA 3.44Å; F61-M245 HydrophobicContact CD1-CB 3.88Å; F61-M245 HydrophobicContact CD1-CG 4.32Å; F61-M245 HydrophobicContact CD2-CB 3.83Å; F61-M245 HydrophobicContact CE1-CB 3.43Å; F61-M245 VanDerWaalsContact CE1-CB 3.43Å; F61-M245 HydrophobicContact CE1-CG 3.55Å; F61-M245 HydrophobicContact CE2-CB 3.38Å; F61-M245 HydrophobicContact CE2-CG 4.23Å; F61-M245 HydrophobicContact CG-CB 4.07Å; F61-M245 HydrophobicContact CZ-CB 3.18Å; F61-M245 HydrophobicContact CZ-CE 4.06Å; F61-M245 HydrophobicContact CZ-CG 3.51Å; F61-M245 PolarHBondContact O-N 2.86Å
62T98.7Very high97.8Very high37 Ų3749.4 Ų49.423%0.22726%0.262CS..EExtended strand (participates in β ladder)trans-127.6131.5176.9-56.10000110.1L29 V30 L243 K244L29-T62 CarbonylContact C-O 3.56Å; L29-T62 WeakPolarHBondContact CA-O 3.5Å; V30-T62 PolarHBondContact N-O 3.03Å; V30-T62 PolarHBondContact O-N 3.25Å; T62-L243 CarbonylContact C-O 3.53Å; T62-L243 WeakPolarHBondContact CA-O 3.34Å; T62-K244 HydrophobicContact CG2-CG 4.09Å
63I98.6Very high97.8Very high0 Ų046.6 Ų46.60%025%0.252CS..EExtended strand (participates in β ladder)trans-117116.6-176.5-53.6168.5000108.4L29 F61 A67 L68 V220 P221 M222 A223 S242 L243L29-I63 HydrophobicContact CD1-CB 4.5Å; L29-I63 HydrophobicContact CD1-CG1 3.86Å; L29-I63 HydrophobicContact CD1-CG2 4.26Å; L29-I63 HydrophobicContact CG-CG1 3.99Å; F61-I63 HydrophobicContact CD2-CD1 3.95Å; F61-I63 HydrophobicContact CD2-CG1 3.93Å; F61-I63 HydrophobicContact CE2-CD1 3.77Å; F61-I63 HydrophobicContact CE2-CG1 4.28Å; I63-A67 HydrophobicContact CG2-CB 4.23Å; I63-L68 HydrophobicContact CG2-CD2 3.92Å; I63-V220 HydrophobicContact CD1-CG1 3.49Å; I63-V220 VanDerWaalsContact CD1-CG1 3.49Å; I63-P221 WeakPolarHBondContact CD1-O 3.34Å; I63-M222 HydrophobicContact CD1-CB 4.44Å; I63-A223 HydrophobicContact CD1-CB 4.04Å; I63-S242 CarbonylContact O-C 3.5Å; I63-S242 WeakPolarHBondContact O-CA 3.41Å; I63-S242 VanDerWaalsContact O-CB 3.29Å; I63-S242 WeakPolarHBondContact O-CB 3.41Å; I63-L243 HydrophobicContact CB-CB 4.45Å; I63-L243 PolarHBondContact N-O 3.07Å; I63-L243 PolarHBondContact O-N 2.95Å
64P98.1Very high97.8Very high24 Ų2442.6 Ų42.616%0.15623%0.231CC..EExtended strand (participates in β ladder)trans-69.3143.7174.827.2-30.9000110.4V27 G28 S66 A67V27-P64 WeakPolarHBondContact O-CG 3.38Å; G28-P64 WeakPolarHBondContact O-CD 3.26Å; P64-S66 PolarHBondContact O-N 3.48Å; P64-S66 VanDerWaalsContact O-N 3.09Å; P64-A67 HydrophobicContact CG-CB 4.05Å; P64-A67 WeakPolarHBondContact O-CB 3.46Å; P64-A67 PolarHBondContact O-N 3.36Å
65R97.1Very high97.7Very high73 Ų7348.9 Ų48.928%0.27526%0.258SS..G310 helixtrans-56.8-30.1-179.2-73.4-169.3179.5-95.1-0.5113.8A67 L68 E198 S239 P240 D241 L243R65-A67 PolarHBondContact O-N 2.98Å; R65-L68 HydrophobicContact CB-CD1 4.23Å; R65-L68 HydrophobicContact CG-CD1 4.2Å; R65-L68 WeakPolarHBondContact O-CB 3.3Å; R65-L68 VanDerWaalsContact O-CG 3.31Å; R65-L68 WeakPolarHBondContact O-CG 3.35Å; R65-L68 PolarHBondContact O-N 2.97Å; R65-E198 IonicContact CZ-OE1 3.54Å; R65-E198 IonicContact CZ-OE2 3.56Å; R65-E198 IonicContact NH1-OE1 3.5Å; R65-E198 IonicContact NH1-OE2 2.74Å; R65-E198 PolarHBondContact NH1-OE2 2.9Å; R65-E198 IonicContact NH2-OE1 2.67Å; R65-E198 PolarHBondContact NH2-OE1 3.16Å; R65-E198 IonicContact NH2-OE2 3.46Å; R65-E198 PolarHBondContact NH2-OE2 3.4Å; R65-S239 PolarHBondContact NE-O 2.84Å; R65-S239 VanDerWaalsContact NE-O 3.12Å; R65-S239 PolarHBondContact NH2-O 3.06Å; R65-P240 VanDerWaalsContact CD-O 3.23Å; R65-P240 WeakPolarHBondContact CD-O 3.35Å; R65-P240 PolarHBondContact NE-O 3.46Å; R65-D241 PolarHBondContact N-O 3.5Å; R65-L243 HydrophobicContact CG-CD1 4.01Å
66S96.5Very high97.6Very high85 Ų8543.5 Ų43.559%0.59423%0.233SC*.G310 helixtrans-64.8-18175.757.80000114.5P64P64-S66 PolarHBondContact O-N 3.48Å; P64-S66 VanDerWaalsContact O-N 3.09Å
67A97.8Very high97.6Very high0 Ų038.3 Ų38.30%021%0.213CC..G310 helixtrans-87.3-14.1177.400000113.2W23 V27 I63 P64 R65 W111W23-A67 HydrophobicContact CH2-CB 4.44Å; V27-A67 HydrophobicContact CB-CB 4.16Å; V27-A67 HydrophobicContact CG2-CB 3.85Å; I63-A67 HydrophobicContact CG2-CB 4.23Å; P64-A67 HydrophobicContact CG-CB 4.05Å; P64-A67 WeakPolarHBondContact O-CB 3.46Å; P64-A67 PolarHBondContact O-N 3.36Å; R65-A67 PolarHBondContact O-N 2.98Å; A67-W111 PolarHBondContact O-NE1 3.43Å
68L98.3Very high97.6Very high2 Ų239.7 Ų39.71%0.0122%0.219CC..  trans-66.4145.2179.1-53.8176.4000110.2I63 R65 T73 W111 M218 V220 L243I63-L68 HydrophobicContact CG2-CD2 3.92Å; R65-L68 HydrophobicContact CB-CD1 4.23Å; R65-L68 HydrophobicContact CG-CD1 4.2Å; R65-L68 WeakPolarHBondContact O-CB 3.3Å; R65-L68 VanDerWaalsContact O-CG 3.31Å; R65-L68 WeakPolarHBondContact O-CG 3.35Å; R65-L68 PolarHBondContact O-N 2.97Å; L68-T73 VanDerWaalsContact O-CB 3.32Å; L68-T73 WeakPolarHBondContact O-CB 3.28Å; L68-T73 PolarHBondContact O-OG1 3.47Å; L68-W111 WeakPolarHBondContact O-CZ2 3.26Å; L68-M218 HydrophobicContact CD1-SD 3.73Å; L68-V220 HydrophobicContact CD2-CB 4.27Å; L68-V220 HydrophobicContact CD2-CG1 3.88Å; L68-V220 HydrophobicContact CD2-CG2 4.12Å; L68-L243 HydrophobicContact CD1-CD1 3.81Å; L68-L243 HydrophobicContact CD1-CD2 4.46Å; L68-L243 HydrophobicContact CD2-CD1 4.41Å; L68-L243 HydrophobicContact CD2-CD2 4.19Å
69L98.4Very high97.6Very high0 Ų038.6 Ų38.60%022%0.215CC..BIsolated β-bridgetrans-105.4108.6175.2167.760.1000109.6L100 E103 W111 Y114 L115 M219L69-L100 HydrophobicContact CD1-CD2 4.4Å; L69-L100 HydrophobicContact CD2-CD2 3.45Å; L69-L100 VanDerWaalsContact CD2-CD2 3.45Å; L69-L100 HydrophobicContact CG-CD2 3.72Å; L69-E103 HydrophobicContact CD1-CB 4.44Å; L69-E103 HydrophobicContact CD1-CG 3.9Å; L69-W111 HydrophobicContact CB-CD2 4.16Å; L69-W111 HydrophobicContact CB-CG 4.2Å; L69-W111 HydrophobicContact CD1-CD2 4.01Å; L69-W111 HydrophobicContact CD1-CE3 3.99Å; L69-W111 HydrophobicContact CD1-CH2 4.45Å; L69-W111 HydrophobicContact CD1-CZ2 4.43Å; L69-W111 HydrophobicContact CD1-CZ3 4.22Å; L69-W111 HydrophobicContact CD2-CB 4.45Å; L69-W111 HydrophobicContact CD2-CD2 4.5Å; L69-W111 HydrophobicContact CD2-CG 4.27Å; L69-W111 HydrophobicContact CG-CD2 4.46Å; L69-Y114 HydrophobicContact CD2-CE1 4.39Å; L69-L115 HydrophobicContact CD2-CD2 4.08Å; L69-M219 HydrophobicContact CB-CB 4.05Å; L69-M219 HydrophobicContact CB-CG 4.47Å; L69-M219 HydrophobicContact CD2-CG 4.4Å; L69-M219 HydrophobicContact CG-CB 4.43Å; L69-M219 HydrophobicContact CG-CG 4.31Å; L69-M219 PolarHBondContact N-O 3.27Å; L69-M219 PolarHBondContact O-N 3.16Å
70H96.7Very high97.5Very high29 Ų2935.8 Ų35.813%0.13420%0.198CC..SBendtrans-153-178.8175.863.1103.2000110.9E72 T73 T74 L96 M218H70-E72 VanDerWaalsContact CE1-CB 3.48Å; H70-E72 WeakPolarHBondContact CE1-CB 3.31Å; H70-E72 PolarHBondContact ND1-N 2.66Å; H70-E72 PolarHBondContact O-N 3.49Å; H70-T73 PolarHBondContact CD2-OG1 2.96Å; H70-T73 PolarHBondContact N-OG1 3.21Å; H70-T73 VanDerWaalsContact N-OG1 3.09Å; H70-T73 VanDerWaalsContact NE2-CG2 3.28Å; H70-T73 WeakPolarHBondContact NE2-CG2 3.09Å; H70-T73 PolarHBondContact O-N 3.47Å; H70-T73 PolarHBondContact O-OG1 3.25Å; H70-T74 PolarHBondContact O-N 2.75Å; H70-T74 VanDerWaalsContact O-N 3.15Å; H70-L96 HydrophobicContact CB-CD1 4.35Å; H70-M218 HydrophobicContact CB-CB 3.88Å
71Q95.3Very high97.4Very high30 Ų3044 Ų4414%0.1423%0.233CC..THydrogen-bonded Turntrans-60.8-18-174.568.1-79.95.500114.7S77 L80 P95Q71-S77 VanDerWaalsContact O-CA 3.29Å; Q71-S77 WeakPolarHBondContact O-CA 3.31Å; Q71-S77 WeakPolarHBondContact O-CB 3.39Å; Q71-L80 HydrophobicContact CB-CD1 3.96Å; Q71-P95 HydrophobicContact CB-CB 3.76Å; Q71-P95 HydrophobicContact CG-CB 4.06Å
72E95.8Very high97.3Very high138 Ų13851.4 Ų51.465%0.64527%0.266SS*.THydrogen-bonded Turntrans-96.8-27.8179.9-45.2-164.6152.100113.3H70 S77H70-E72 VanDerWaalsContact CE1-CB 3.48Å; H70-E72 WeakPolarHBondContact CE1-CB 3.31Å; H70-E72 PolarHBondContact ND1-N 2.66Å; H70-E72 PolarHBondContact O-N 3.49Å; E72-S77 WeakPolarHBondContact O-CB 3.42Å; E72-S77 PolarHBondContact O-OG 2.72Å
73T97.1Very high97.2Very high42 Ų4251.5 Ų51.526%0.25826%0.264SS..THydrogen-bonded Turntrans-88.7-28.8-179.752.10000112.9L68 H70 W111L68-T73 VanDerWaalsContact O-CB 3.32Å; L68-T73 WeakPolarHBondContact O-CB 3.28Å; L68-T73 PolarHBondContact O-OG1 3.47Å; H70-T73 PolarHBondContact CD2-OG1 2.96Å; H70-T73 PolarHBondContact N-OG1 3.21Å; H70-T73 VanDerWaalsContact N-OG1 3.09Å; H70-T73 VanDerWaalsContact NE2-CG2 3.28Å; H70-T73 WeakPolarHBondContact NE2-CG2 3.09Å; H70-T73 PolarHBondContact O-N 3.47Å; H70-T73 PolarHBondContact O-OG1 3.25Å; T73-W111 WeakPolarHBondContact O-CH2 3.29Å
74T97.4Very high97Very high1 Ų158.5 Ų58.51%0.00629%0.294CS..SBendtrans-56.8153.3179.3-179.70000113.3H70 V76 S77 L80 A99 E103H70-T74 PolarHBondContact O-N 2.75Å; H70-T74 VanDerWaalsContact O-N 3.15Å; T74-V76 HydrophobicContact CG2-CG2 3.65Å; T74-V76 PolarHBondContact O-N 2.99Å; T74-V76 VanDerWaalsContact O-N 3.09Å; T74-S77 WeakPolarHBondContact O-CB 3.21Å; T74-S77 PolarHBondContact O-N 3.19Å; T74-S77 PolarHBondContact O-OG 3.27Å; T74-S77 VanDerWaalsContact O-OG 3.13Å; T74-L80 HydrophobicContact CG2-CD1 4.04Å; T74-A99 HydrophobicContact CG2-CB 3.61Å; T74-E103 WeakPolarHBondContact OG1-CG 3.43Å; T74-E103 PolarHBondContact OG1-OE1 3.46Å
75K96.5Very high96.8Very high133 Ų13361.9 Ų61.958%0.57832%0.318SS*.THydrogen-bonded Turntrans-59.2-23.2177-174.3172.2174.7-176.20113.5Y102 E103 E108K75-Y102 HydrophobicContact CB-CE1 3.86Å; K75-Y102 HydrophobicContact CD-CE1 4.2Å; K75-Y102 WeakPolarHBondContact CD-OH 3.38Å; K75-Y102 HydrophobicContact CG-CE1 4.37Å; K75-E103 PolarHBondContact N-OE1 3.13Å; K75-E108 IonicContact NZ-OE2 3.67Å
76V97.3Very high96.7Very high6 Ų660.4 Ų60.44%0.03632%0.319CS..THydrogen-bonded Turntrans-92.67.4178.6-62.90000113.9T74 A78 L79 L80 Y102 L173 W174T74-V76 HydrophobicContact CG2-CG2 3.65Å; T74-V76 PolarHBondContact O-N 2.99Å; T74-V76 VanDerWaalsContact O-N 3.09Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.26Å; V76-L79 WeakPolarHBondContact O-CB 3.44Å; V76-L79 PolarHBondContact O-N 3.01Å; V76-L80 HydrophobicContact CG2-CD1 3.95Å; V76-L80 HydrophobicContact CG2-CG 4.19Å; V76-L80 PolarHBondContact O-N 2.84Å; V76-L80 VanDerWaalsContact O-N 3.12Å; V76-Y102 HydrophobicContact CG1-CD1 3.8Å; V76-Y102 HydrophobicContact CG1-CD2 3.62Å; V76-Y102 HydrophobicContact CG1-CE1 3.95Å; V76-Y102 HydrophobicContact CG1-CE2 3.76Å; V76-Y102 HydrophobicContact CG1-CG 3.63Å; V76-Y102 HydrophobicContact CG2-CD1 4.43Å; V76-Y102 HydrophobicContact CG2-CG 4.32Å; V76-L173 HydrophobicContact CG1-CD1 3.86Å; V76-L173 HydrophobicContact CG1-CD2 4.02Å; V76-L173 HydrophobicContact CG1-CG 4.39Å; V76-W174 HydrophobicContact CB-CH2 4.2Å; V76-W174 HydrophobicContact CB-CZ2 4.33Å; V76-W174 HydrophobicContact CG1-CH2 4.22Å; V76-W174 HydrophobicContact CG1-CZ2 4.25Å; V76-W174 HydrophobicContact CG2-CH2 4.34Å; V76-W174 HydrophobicContact CG2-CZ2 4.04Å
77S97.6Very high96.6Very high36 Ų3656.5 Ų56.525%0.25229%0.292SS..Hα-helixtrans-56.9-41.1-172.460.90000114Q71 E72 T74 L79 L80 K81Q71-S77 VanDerWaalsContact O-CA 3.29Å; Q71-S77 WeakPolarHBondContact O-CA 3.31Å; Q71-S77 WeakPolarHBondContact O-CB 3.39Å; E72-S77 WeakPolarHBondContact O-CB 3.42Å; E72-S77 PolarHBondContact O-OG 2.72Å; T74-S77 WeakPolarHBondContact O-CB 3.21Å; T74-S77 PolarHBondContact O-N 3.19Å; T74-S77 PolarHBondContact O-OG 3.27Å; T74-S77 VanDerWaalsContact O-OG 3.13Å; S77-L79 VanDerWaalsContact C-N 3.25Å; S77-L79 PolarHBondContact O-N 3.33Å; S77-L80 PolarHBondContact O-N 3.27Å; S77-K81 WeakPolarHBondContact O-CB 3.42Å; S77-K81 PolarHBondContact O-N 3.37Å
78A97.9Very high96.4Very high79 Ų7962.9 Ų62.965%0.65332%0.322SS*.Hα-helixtrans-59.5-36.5178.300000112.5V76 K82V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.26Å; A78-K82 WeakPolarHBondContact O-CB 3.1Å; A78-K82 PolarHBondContact O-N 2.9Å; A78-K82 VanDerWaalsContact O-N 3.17Å
79L98.1Very high96.1Very high29 Ų2964.2 Ų64.215%0.15233%0.331CS..Hα-helixtrans-74.1-46.4176.7177.563000111.2V76 S77 K81 K82 E83 F166 H170 L173 W174V76-L79 WeakPolarHBondContact O-CB 3.44Å; V76-L79 PolarHBondContact O-N 3.01Å; S77-L79 VanDerWaalsContact C-N 3.25Å; S77-L79 PolarHBondContact O-N 3.33Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 2.97Å; L79-K82 WeakPolarHBondContact O-CB 3.3Å; L79-K82 PolarHBondContact O-N 3.17Å; L79-K82 VanDerWaalsContact O-N 3.12Å; L79-E83 HydrophobicContact CD1-CG 3.94Å; L79-E83 PolarHBondContact O-N 3.19Å; L79-F166 HydrophobicContact CD2-CZ 4.12Å; L79-F166 HydrophobicContact CG-CZ 4.13Å; L79-H170 HydrophobicContact CD2-CB 4.5Å; L79-L173 HydrophobicContact CD2-CD1 3.46Å; L79-L173 VanDerWaalsContact CD2-CD1 3.46Å; L79-W174 HydrophobicContact CD2-CH2 4.06Å; L79-W174 HydrophobicContact CD2-CZ3 3.83Å
80L97.4Very high95.6Very high6 Ų668.6 Ų68.63%0.03136%0.362CS..Hα-helixtrans-58.7-42178.4-62.3179.6000111.3Q71 T74 V76 S77 E83 K84 L87 P95 L98 A99 F166Q71-L80 HydrophobicContact CB-CD1 3.96Å; T74-L80 HydrophobicContact CG2-CD1 4.04Å; V76-L80 HydrophobicContact CG2-CD1 3.95Å; V76-L80 HydrophobicContact CG2-CG 4.19Å; V76-L80 PolarHBondContact O-N 2.84Å; V76-L80 VanDerWaalsContact O-N 3.12Å; S77-L80 PolarHBondContact O-N 3.27Å; L80-E83 PolarHBondContact O-N 3.34Å; L80-K84 WeakPolarHBondContact O-CA 3.44Å; L80-K84 PolarHBondContact O-N 2.72Å; L80-K84 VanDerWaalsContact O-N 3.11Å; L80-L87 HydrophobicContact CB-CD1 4.43Å; L80-L87 HydrophobicContact CD2-CD1 3.8Å; L80-P95 WeakPolarHBondContact CD1-O 3.45Å; L80-L98 HydrophobicContact CD2-CB 3.91Å; L80-L98 HydrophobicContact CD2-CD1 3.92Å; L80-A99 HydrophobicContact CD1-CB 4.24Å; L80-F166 HydrophobicContact CD2-CE1 4.3Å; L80-F166 HydrophobicContact CD2-CZ 4.26Å
81K96.6Very high95.2Very high172 Ų17269.3 Ų69.375%0.74837%0.37SS*.Hα-helixtrans-64.4-41.2175.3-175.1170.2-175.9165.40112.4S77 L79S77-K81 WeakPolarHBondContact O-CB 3.42Å; S77-K81 PolarHBondContact O-N 3.37Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 2.97Å
82K97.2Very high95.1Very high157 Ų15769.8 Ų69.868%0.68338%0.383SS*.Hα-helixtrans-64.5-40178.9178.9-172168.7-163.60112A78 L79A78-K82 WeakPolarHBondContact O-CB 3.1Å; A78-K82 PolarHBondContact O-N 2.9Å; A78-K82 VanDerWaalsContact O-N 3.17Å; L79-K82 WeakPolarHBondContact O-CB 3.3Å; L79-K82 PolarHBondContact O-N 3.17Å; L79-K82 VanDerWaalsContact O-N 3.12Å
83E96.5Very high95.1Very high40 Ų4066 Ų6619%0.18736%0.363CS..THydrogen-bonded Turntrans-99.916.8-174.8-62.3-77.9142.100112.7L79 L80 S85 S86 L87 F166 R169L79-E83 HydrophobicContact CD1-CG 3.94Å; L79-E83 PolarHBondContact O-N 3.19Å; L80-E83 PolarHBondContact O-N 3.34Å; E83-S85 VanDerWaalsContact C-N 3.29Å; E83-S85 PolarHBondContact O-N 3.44Å; E83-S85 VanDerWaalsContact O-N 3.13Å; E83-S86 PolarHBondContact O-N 2.63Å; E83-S86 PolarHBondContact O-OG 3.32Å; E83-L87 PolarHBondContact O-N 3.45Å; E83-F166 HydrophobicContact CB-CE2 3.76Å; E83-F166 HydrophobicContact CB-CZ 4.49Å; E83-F166 HydrophobicContact CG-CE2 4Å; E83-R169 IonicContact OE2-CZ 3.9Å; E83-R169 IonicContact OE2-NH1 3.01Å; E83-R169 PolarHBondContact OE2-NH1 3.2Å; E83-R169 IonicContact OE2-NH2 3.9Å
84K94.1Very high95.1Very high146 Ų14664 Ų6464%0.63535%0.35SS*.G310 helixtrans-45.9-47.9-173.2-177.9179.9177.1-179.10113.4L80 S86 L87 E88L80-K84 WeakPolarHBondContact O-CA 3.44Å; L80-K84 PolarHBondContact O-N 2.72Å; L80-K84 VanDerWaalsContact O-N 3.11Å; K84-S86 PolarHBondContact O-N 2.75Å; K84-L87 PolarHBondContact O-N 2.86Å; K84-E88 PolarHBondContact O-N 2.94Å
85S93.4Very high95.1Very high95 Ų9565.1 Ų65.166%0.66436%0.358SS*.G310 helixtrans-63.5-25.1-178.562.10000113.7E83 L87E83-S85 VanDerWaalsContact C-N 3.29Å; E83-S85 PolarHBondContact O-N 3.44Å; E83-S85 VanDerWaalsContact O-N 3.13Å; S85-L87 VanDerWaalsContact C-N 3.32Å
86S94.7Very high95.2Very high42 Ų4258.9 Ų58.929%0.29433%0.331SS..G310 helixtrans-86-6.4176.575.30000113.4E83 K84 I162E83-S86 PolarHBondContact O-N 2.63Å; E83-S86 PolarHBondContact O-OG 3.32Å; K84-S86 PolarHBondContact O-N 2.75Å; S86-I162 WeakPolarHBondContact O-CG2 3.36Å
87L95.6Very high95.3Very high3 Ų358.7 Ų58.72%0.01633%0.329CS..SBendtrans-108.44.4-177.7-59.2-179.7000112.4L80 E83 K84 S85 V94 P95 L98 I162 F166L80-L87 HydrophobicContact CB-CD1 4.43Å; L80-L87 HydrophobicContact CD2-CD1 3.8Å; E83-L87 PolarHBondContact O-N 3.45Å; K84-L87 PolarHBondContact O-N 2.86Å; S85-L87 VanDerWaalsContact C-N 3.32Å; L87-V94 HydrophobicContact CB-CG1 4.19Å; L87-V94 HydrophobicContact CD2-CG1 4.06Å; L87-P95 HydrophobicContact CB-CG 4.2Å; L87-L98 HydrophobicContact CD1-CD1 4.04Å; L87-L98 HydrophobicContact CD2-CD1 3.54Å; L87-L98 HydrophobicContact CG-CD1 4.41Å; L87-I162 HydrophobicContact CD2-CG2 4.29Å; L87-F166 HydrophobicContact CD1-CE2 4.35Å; L87-F166 HydrophobicContact CD1-CZ 4.41Å; L87-F166 HydrophobicContact CD2-CB 4.44Å; L87-F166 HydrophobicContact CD2-CD1 4.43Å; L87-F166 HydrophobicContact CD2-CD2 3.56Å; L87-F166 HydrophobicContact CD2-CE2 3.82Å; L87-F166 HydrophobicContact CD2-CG 3.9Å; L87-F166 HydrophobicContact CD2-CZ 4.34Å; L87-F166 HydrophobicContact CG-CE2 4.36Å
88E93.1Very high95.3Very high135 Ų13557 Ų5763%0.63132%0.317SS*.  trans-64.7134176.3-71.3173-171.200110.4K84 I162K84-E88 PolarHBondContact O-N 2.94Å; E88-I162 VanDerWaalsContact O-CD1 3.32Å; E88-I162 WeakPolarHBondContact O-CD1 3.34Å
89S92.5Very high95.4Very high29 Ų2953.2 Ų53.220%0.20329%0.286CS..  trans-149.7162.2-177.154.80000109.2S91 G92 V94S89-S91 PolarHBondContact O-N 2.88Å; S89-S91 PolarHBondContact OG-OG 3.28Å; S89-G92 PolarHBondContact O-N 3.05Å; S89-G92 PolarHBondContact OG-N 2.94Å; S89-V94 WeakPolarHBondContact OG-CG2 3.42Å
90S85.8Confident95.4Very high93 Ų9351.9 Ų51.965%0.6528%0.279SS*.SBendtrans-62.8-31.2177.250.90000112.9
91S89.1Confident95.4Very high44 Ų4451.6 Ų51.631%0.30828%0.278SS..SBendtrans-77.7-29175.462.80000113S89 W93 E158S89-S91 PolarHBondContact O-N 2.88Å; S89-S91 PolarHBondContact OG-OG 3.28Å; S91-W93 PolarHBondContact O-N 3.04Å; S91-W93 PolarHBondContact O-NE1 3.25Å; S91-W93 PolarHBondContact OG-N 2.8Å; S91-W93 VanDerWaalsContact OG-N 3.15Å; S91-E158 VanDerWaalsContact CB-OE1 3.25Å; S91-E158 WeakPolarHBondContact CB-OE1 3.21Å; S91-E158 PolarHBondContact OG-OE1 3.08Å
92G92.6Very high95.5Very high40 Ų4044.5 Ų44.541%0.41225%0.247SC..SBendtrans71.12.7-16800000114.2S89S89-G92 PolarHBondContact O-N 3.05Å; S89-G92 PolarHBondContact OG-N 2.94Å
93W96.2Very high95.5Very high58 Ų5837.2 Ų37.222%0.2222%0.215CC..  trans-91.9-12.5-170.9-654.8000114.1S91 P95 L96 L97 V188 V191 M192 P217 M272S91-W93 PolarHBondContact O-N 3.04Å; S91-W93 PolarHBondContact O-NE1 3.25Å; S91-W93 PolarHBondContact OG-N 2.8Å; S91-W93 VanDerWaalsContact OG-N 3.15Å; W93-P95 VanDerWaalsContact C-N 3.34Å; W93-L96 PolarHBondContact O-N 3.03Å; W93-L97 HydrophobicContact CB-CD1 3.88Å; W93-L97 HydrophobicContact CB-CG 4.39Å; W93-L97 WeakPolarHBondContact O-CG 3.49Å; W93-L97 PolarHBondContact O-N 2.85Å; W93-V188 HydrophobicContact CZ3-CG1 4.42Å; W93-V191 HydrophobicContact CD2-CG1 4.01Å; W93-V191 HydrophobicContact CE3-CB 4.31Å; W93-V191 HydrophobicContact CE3-CG1 3.61Å; W93-V191 HydrophobicContact CH2-CG1 4.3Å; W93-V191 HydrophobicContact CZ3-CB 4.35Å; W93-V191 HydrophobicContact CZ3-CG1 3.77Å; W93-M192 HydrophobicContact CH2-CG 3.82Å; W93-M192 HydrophobicContact CZ3-CG 3.67Å; W93-P217 HydrophobicContact CD2-CG 4.28Å; W93-P217 HydrophobicContact CG-CG 4.01Å; W93-M272 HydrophobicContact CH2-CE 4.48Å
94V97.9Very high95.5Very high0 Ų037.4 Ų37.40%022%0.22CC..Hα-helixtrans-50.5-44.6-176.8169.40000113.4L87 S89 L96 L97 L98 E158 I162 V163L87-V94 HydrophobicContact CB-CG1 4.19Å; L87-V94 HydrophobicContact CD2-CG1 4.06Å; S89-V94 WeakPolarHBondContact OG-CG2 3.42Å; V94-L96 PolarHBondContact O-N 3.39Å; V94-L97 PolarHBondContact O-N 3.22Å; V94-L98 HydrophobicContact CG1-CD1 3.94Å; V94-L98 HydrophobicContact CG1-CG 4.42Å; V94-L98 WeakPolarHBondContact O-CB 3.38Å; V94-L98 WeakPolarHBondContact O-CG 3.21Å; V94-L98 PolarHBondContact O-N 3.16Å; V94-E158 HydrophobicContact CG2-CB 4.46Å; V94-E158 HydrophobicContact CG2-CG 4.45Å; V94-I162 HydrophobicContact CG1-CG2 3.95Å; V94-V163 HydrophobicContact CG1-CG2 4.21Å; V94-V163 HydrophobicContact CG2-CG2 4.48Å
95P97.9Very high95.5Very high25 Ų2533.1 Ų33.116%0.16221%0.207CC..Hα-helixtrans-60.9-43.1177-25.436000113.9Q71 L80 L87 W93 A99Q71-P95 HydrophobicContact CB-CB 3.76Å; Q71-P95 HydrophobicContact CG-CB 4.06Å; L80-P95 WeakPolarHBondContact CD1-O 3.45Å; L87-P95 HydrophobicContact CB-CG 4.2Å; W93-P95 VanDerWaalsContact C-N 3.34Å; P95-A99 PolarHBondContact O-N 2.96Å; P95-A99 VanDerWaalsContact O-N 3.11Å
96L98.2Very high95.6Very high2 Ų229.5 Ų29.51%0.0118%0.182CC..Hα-helixtrans-63.3-47.6175174.166000110.1H70 W93 V94 L98 A99 L100 V191 P217H70-L96 HydrophobicContact CB-CD1 4.35Å; W93-L96 PolarHBondContact O-N 3.03Å; V94-L96 PolarHBondContact O-N 3.39Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 2.95Å; L96-A99 CarbonylContact O-C 3.58Å; L96-A99 WeakPolarHBondContact O-CA 3.39Å; L96-A99 VanDerWaalsContact O-CB 3.25Å; L96-A99 WeakPolarHBondContact O-CB 3.36Å; L96-A99 PolarHBondContact O-N 2.77Å; L96-L100 HydrophobicContact CD1-CD1 4.43Å; L96-L100 HydrophobicContact CD1-CD2 4.23Å; L96-L100 HydrophobicContact CD1-CG 4.14Å; L96-L100 HydrophobicContact CG-CD1 4.21Å; L96-L100 HydrophobicContact CG-CG 4.25Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 2.93Å; L96-V191 HydrophobicContact CD2-CG1 3.91Å; L96-V191 HydrophobicContact CD2-CG2 3.8Å; L96-V191 HydrophobicContact CG-CG2 4.41Å; L96-P217 HydrophobicContact CD2-CB 4.01Å; L96-P217 HydrophobicContact CD2-CG 3.76Å
97L98.6Very high95.5Very high1 Ų132.1 Ų32.11%0.00520%0.197CC..Hα-helixtrans-62.5-36.5-177.8-69.1163.5000112.2W93 V94 L100 L101 Y184 L187 V188 V191W93-L97 HydrophobicContact CB-CD1 3.88Å; W93-L97 HydrophobicContact CB-CG 4.39Å; W93-L97 WeakPolarHBondContact O-CG 3.49Å; W93-L97 PolarHBondContact O-N 2.85Å; V94-L97 PolarHBondContact O-N 3.22Å; L97-L100 PolarHBondContact O-N 2.96Å; L97-L101 WeakPolarHBondContact O-CB 3.12Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 3.43Å; L97-Y184 HydrophobicContact CB-CD2 4.27Å; L97-Y184 HydrophobicContact CB-CE2 3.61Å; L97-Y184 HydrophobicContact CD1-CE1 4.48Å; L97-Y184 HydrophobicContact CD1-CE2 3.63Å; L97-Y184 VanDerWaalsContact CD1-OH 3.28Å; L97-Y184 WeakPolarHBondContact CD1-OH 3.41Å; L97-Y184 HydrophobicContact CG-CE2 4.14Å; L97-L187 HydrophobicContact CD2-CB 3.86Å; L97-V188 HydrophobicContact CD1-CG2 3.65Å; L97-V188 HydrophobicContact CD2-CG2 3.96Å; L97-V188 HydrophobicContact CG-CG2 4.49Å; L97-V191 HydrophobicContact CD2-CG2 3.81Å
98L98.6Very high95.5Very high0 Ų039.2 Ų39.20%023%0.23CC..Hα-helixtrans-65.3-38.9171.6-77.6169.4000112.6L80 L87 V94 L96 L101 Y102 V163 F166 I167 W174L80-L98 HydrophobicContact CD2-CB 3.91Å; L80-L98 HydrophobicContact CD2-CD1 3.92Å; L87-L98 HydrophobicContact CD1-CD1 4.04Å; L87-L98 HydrophobicContact CD2-CD1 3.54Å; L87-L98 HydrophobicContact CG-CD1 4.41Å; V94-L98 HydrophobicContact CG1-CD1 3.94Å; V94-L98 HydrophobicContact CG1-CG 4.42Å; V94-L98 WeakPolarHBondContact O-CB 3.38Å; V94-L98 WeakPolarHBondContact O-CG 3.21Å; V94-L98 PolarHBondContact O-N 3.16Å; L96-L98 VanDerWaalsContact C-N 3.3Å; L96-L98 PolarHBondContact O-N 2.95Å; L98-L101 HydrophobicContact CD2-CD1 4.34Å; L98-Y102 PolarHBondContact O-N 2.82Å; L98-Y102 VanDerWaalsContact O-N 3.08Å; L98-V163 HydrophobicContact CD2-CG1 3.97Å; L98-F166 HydrophobicContact CD1-CD1 3.63Å; L98-F166 HydrophobicContact CD1-CE1 3.74Å; L98-F166 HydrophobicContact CD1-CG 4.22Å; L98-F166 HydrophobicContact CD1-CZ 4.44Å; L98-F166 HydrophobicContact CD2-CD1 3.81Å; L98-F166 HydrophobicContact CD2-CE1 4.27Å; L98-F166 HydrophobicContact CG-CD1 4.39Å; L98-I167 HydrophobicContact CD2-CG2 3.96Å; L98-W174 HydrophobicContact CB-CZ2 4.32Å; L98-W174 HydrophobicContact CD2-CZ2 4.45Å; L98-W174 PolarHBondContact O-NE1 3.43Å
99A98.5Very high95.7Very high0 Ų033.2 Ų33.20%020%0.204CC..Hα-helixtrans-61.5-46.4172.500000111.1T74 L80 P95 L96 Y102 E103T74-A99 HydrophobicContact CG2-CB 3.61Å; L80-A99 HydrophobicContact CD1-CB 4.24Å; P95-A99 PolarHBondContact O-N 2.96Å; P95-A99 VanDerWaalsContact O-N 3.11Å; L96-A99 CarbonylContact O-C 3.58Å; L96-A99 WeakPolarHBondContact O-CA 3.39Å; L96-A99 VanDerWaalsContact O-CB 3.25Å; L96-A99 WeakPolarHBondContact O-CB 3.36Å; L96-A99 PolarHBondContact O-N 2.77Å; A99-Y102 PolarHBondContact O-N 3.29Å; A99-E103 WeakPolarHBondContact O-CB 3.24Å; A99-E103 WeakPolarHBondContact O-CG 3.39Å; A99-E103 PolarHBondContact O-N 3.29Å
100L98.3Very high95.9Very high1 Ų136.3 Ų36.31%0.00522%0.215CC..Hα-helixtrans-66.7-40.1178.7-61-173.9000112.5L69 L96 L97 Y102 E103 S104 W118 L187 V191 M219L69-L100 HydrophobicContact CD1-CD2 4.4Å; L69-L100 HydrophobicContact CD2-CD2 3.45Å; L69-L100 VanDerWaalsContact CD2-CD2 3.45Å; L69-L100 HydrophobicContact CG-CD2 3.72Å; L96-L100 HydrophobicContact CD1-CD1 4.43Å; L96-L100 HydrophobicContact CD1-CD2 4.23Å; L96-L100 HydrophobicContact CD1-CG 4.14Å; L96-L100 HydrophobicContact CG-CD1 4.21Å; L96-L100 HydrophobicContact CG-CG 4.25Å; L96-L100 WeakPolarHBondContact O-CG 3.46Å; L96-L100 PolarHBondContact O-N 2.93Å; L97-L100 PolarHBondContact O-N 2.96Å; L100-Y102 VanDerWaalsContact C-N 3.27Å; L100-Y102 PolarHBondContact O-N 3.49Å; L100-E103 PolarHBondContact O-N 2.89Å; L100-S104 WeakPolarHBondContact O-CB 3.48Å; L100-S104 PolarHBondContact O-N 2.99Å; L100-S104 PolarHBondContact O-OG 3.5Å; L100-W118 HydrophobicContact CD1-CH2 4.3Å; L100-W118 HydrophobicContact CD2-CH2 4.09Å; L100-L187 HydrophobicContact CB-CD1 4.11Å; L100-L187 HydrophobicContact CB-CD2 4.13Å; L100-V191 HydrophobicContact CD1-CG2 3.49Å; L100-V191 VanDerWaalsContact CD1-CG2 3.49Å; L100-M219 HydrophobicContact CD1-CG 4.29Å; L100-M219 HydrophobicContact CD1-SD 4.05Å; L100-M219 HydrophobicContact CD2-CG 3.73Å
101L98.1Very high96.4Very high0 Ų032.3 Ų32.30%019%0.185CC..Hα-helixtrans-56.1-44.7172.8-81.2172.3000111L97 L98 T105 V163 H179 L183 Y184 L187L97-L101 WeakPolarHBondContact O-CB 3.12Å; L97-L101 VanDerWaalsContact O-CG 3.27Å; L97-L101 WeakPolarHBondContact O-CG 3.35Å; L97-L101 PolarHBondContact O-N 3.43Å; L98-L101 HydrophobicContact CD2-CD1 4.34Å; L101-T105 WeakPolarHBondContact O-CG2 3.35Å; L101-T105 PolarHBondContact O-OG1 2.79Å; L101-V163 HydrophobicContact CD1-CG1 4.1Å; L101-H179 HydrophobicContact CD2-CB 4.1Å; L101-H179 PolarHBondContact O-CD2 3.44Å; L101-H179 PolarHBondContact O-NE2 3.4Å; L101-H179 VanDerWaalsContact O-NE2 3.13Å; L101-L183 HydrophobicContact CD2-CD2 3.77Å; L101-L183 HydrophobicContact CD2-CG 3.85Å; L101-Y184 HydrophobicContact CD1-CD2 4.14Å; L101-L187 HydrophobicContact CB-CD1 4.35Å; L101-L187 HydrophobicContact CD2-CD1 3.5Å; L101-L187 VanDerWaalsContact CD2-CD1 3.5Å; L101-L187 HydrophobicContact CG-CD1 3.63Å
102Y98.1Very high96.8Very high24 Ų2437.1 Ų37.19%0.09420%0.197CC..Hα-helixtrans-67.7-55.1178.2-178.8-96.2000112.2K75 V76 L98 A99 L100 T105 S106 L173K75-Y102 HydrophobicContact CB-CE1 3.86Å; K75-Y102 HydrophobicContact CD-CE1 4.2Å; K75-Y102 WeakPolarHBondContact CD-OH 3.38Å; K75-Y102 HydrophobicContact CG-CE1 4.37Å; V76-Y102 HydrophobicContact CG1-CD1 3.8Å; V76-Y102 HydrophobicContact CG1-CD2 3.62Å; V76-Y102 HydrophobicContact CG1-CE1 3.95Å; V76-Y102 HydrophobicContact CG1-CE2 3.76Å; V76-Y102 HydrophobicContact CG1-CG 3.63Å; V76-Y102 HydrophobicContact CG2-CD1 4.43Å; V76-Y102 HydrophobicContact CG2-CG 4.32Å; L98-Y102 PolarHBondContact O-N 2.82Å; L98-Y102 VanDerWaalsContact O-N 3.08Å; A99-Y102 PolarHBondContact O-N 3.29Å; L100-Y102 VanDerWaalsContact C-N 3.27Å; L100-Y102 PolarHBondContact O-N 3.49Å; Y102-T105 PolarHBondContact O-N 3.07Å; Y102-T105 PolarHBondContact O-OG1 2.98Å; Y102-S106 WeakPolarHBondContact O-CB 3.12Å; Y102-S106 PolarHBondContact O-N 3.14Å; Y102-L173 HydrophobicContact CD2-CB 4.2Å; Y102-L173 HydrophobicContact CD2-CD2 4.41Å; Y102-L173 HydrophobicContact CE2-CB 4.2Å; Y102-L173 HydrophobicContact CE2-CD2 3.69Å
103E98.1Very high97Very high4 Ų436.3 Ų36.32%0.01918%0.184CC..Hα-helixtrans-68.8-38.3-172.3-65-66.1167.800112L69 T74 K75 A99 L100 T105 S106 S109 W111 L115L69-E103 HydrophobicContact CD1-CB 4.44Å; L69-E103 HydrophobicContact CD1-CG 3.9Å; T74-E103 WeakPolarHBondContact OG1-CG 3.43Å; T74-E103 PolarHBondContact OG1-OE1 3.46Å; K75-E103 PolarHBondContact N-OE1 3.13Å; A99-E103 WeakPolarHBondContact O-CB 3.24Å; A99-E103 WeakPolarHBondContact O-CG 3.39Å; A99-E103 PolarHBondContact O-N 3.29Å; L100-E103 PolarHBondContact O-N 2.89Å; E103-T105 VanDerWaalsContact C-N 3.28Å; E103-T105 PolarHBondContact O-N 3.45Å; E103-S106 PolarHBondContact O-N 3.3Å; E103-S109 VanDerWaalsContact O-CB 3.28Å; E103-S109 WeakPolarHBondContact O-CB 3.36Å; E103-S109 VanDerWaalsContact OE2-CB 3.25Å; E103-S109 WeakPolarHBondContact OE2-CB 3.2Å; E103-S109 PolarHBondContact OE2-OG 3.48Å; E103-W111 HydrophobicContact CG-CE3 4.09Å; E103-W111 HydrophobicContact CG-CZ3 4.28Å; E103-L115 HydrophobicContact CB-CD1 4.18Å; E103-L115 WeakPolarHBondContact O-CD1 3.35Å
104S95.6Very high97.1Very high43 Ų4333.5 Ų33.530%0.30117%0.173SC..Hα-helixtrans-68.7-23.3179.566.40000114.2L100L100-S104 WeakPolarHBondContact O-CB 3.48Å; L100-S104 PolarHBondContact O-N 2.99Å; L100-S104 PolarHBondContact O-OG 3.5Å
105T94.6Very high97Very high56 Ų5634.7 Ų34.734%0.34418%0.179SC..Hα-helixtrans-103.5-9.1178.864.90000113L101 Y102 E103 P107 T178 H179 L183L101-T105 WeakPolarHBondContact O-CG2 3.35Å; L101-T105 PolarHBondContact O-OG1 2.79Å; Y102-T105 PolarHBondContact O-N 3.07Å; Y102-T105 PolarHBondContact O-OG1 2.98Å; E103-T105 VanDerWaalsContact C-N 3.28Å; E103-T105 PolarHBondContact O-N 3.45Å; T105-P107 WeakPolarHBondContact O-CD 3.43Å; T105-T178 HydrophobicContact CG2-CG2 3.99Å; T105-H179 PolarHBondContact OG1-NE2 3.13Å; T105-L183 HydrophobicContact CG2-CD2 4.27Å
106S95.5Very high96.8Very high20 Ų2035.3 Ų35.314%0.1419%0.185CC..  trans-82.8118.5179.3178.80000111.3Y102 E103 E108 S109Y102-S106 WeakPolarHBondContact O-CB 3.12Å; Y102-S106 PolarHBondContact O-N 3.14Å; E103-S106 PolarHBondContact O-N 3.3Å; S106-E108 PolarHBondContact O-N 3.34Å; S106-E108 PolarHBondContact OG-N 3.09Å; S106-S109 WeakPolarHBondContact O-CB 3.33Å; S106-S109 PolarHBondContact O-N 3.12Å
107P92.9Very high96.6Very high96 Ų9635.3 Ų35.362%0.62319%0.185SC*.THydrogen-bonded Turntrans-67.4-19.5177.328.1-34.4000113.1T105 R112T105-P107 WeakPolarHBondContact O-CD 3.43Å; P107-R112 PolarHBondContact O-NH1 3.49Å
108E94.5Very high96.3Very high152 Ų15236.3 Ų36.371%0.7119%0.188SC*.THydrogen-bonded Turntrans-97.310.2179.2-59.7-175.3165.100112.8K75 S106 H110K75-E108 IonicContact NZ-OE2 3.67Å; S106-E108 PolarHBondContact O-N 3.34Å; S106-E108 PolarHBondContact OG-N 3.09Å; E108-H110 PolarHBondContact O-N 3.41Å
109S97.3Very high95.6Very high10 Ų1037.6 Ų37.67%0.0720%0.197CC..  trans-56.4133.1-178.4-1790000111.5E103 S106 W111 R112E103-S109 VanDerWaalsContact O-CB 3.28Å; E103-S109 WeakPolarHBondContact O-CB 3.36Å; E103-S109 VanDerWaalsContact OE2-CB 3.25Å; E103-S109 WeakPolarHBondContact OE2-CB 3.2Å; E103-S109 PolarHBondContact OE2-OG 3.48Å; S106-S109 WeakPolarHBondContact O-CB 3.33Å; S106-S109 PolarHBondContact O-N 3.12Å; S109-W111 PolarHBondContact O-N 3.45Å; S109-W111 PolarHBondContact OG-N 2.89Å; S109-R112 VanDerWaalsContact O-CB 3.25Å; S109-R112 WeakPolarHBondContact O-CB 3.46Å; S109-R112 PolarHBondContact O-N 3.37Å; S109-R112 VanDerWaalsContact O-N 3.13Å
110H96.7Very high94.8Very high94 Ų9440.1 Ų40.144%0.43522%0.223SC..THydrogen-bonded Turntrans-58.6-33.3172.8174.169.7000111.7W23 V27 E108 R112W23-H110 AromaticContact CZ2-NE2 3.94Å; W23-H110 AromaticContact NE1-CE1 3.91Å; W23-H110 AromaticContact NE1-NE2 3.83Å; W23-H110 PolarHBondContact NE1-O 2.98Å; V27-H110 WeakPolarHBondContact CG1-NE2 3.25Å; E108-H110 PolarHBondContact O-N 3.41Å; H110-R112 VanDerWaalsContact C-N 3.34Å
111W98.2Very high94.1Very high9 Ų942 Ų423%0.03423%0.231CC..THydrogen-bonded Turntrans-89.36.6-179.4-66.8-87.9000113.5W23 A67 L68 L69 T73 E103 S109 P113 Y114 L115W23-W111 AromaticContact CH2-CD1 3.89Å; W23-W111 AromaticContact CZ2-CD1 3.65Å; W23-W111 HydrophobicContact CZ2-CG 4.37Å; A67-W111 PolarHBondContact O-NE1 3.43Å; L68-W111 WeakPolarHBondContact O-CZ2 3.26Å; L69-W111 HydrophobicContact CB-CD2 4.16Å; L69-W111 HydrophobicContact CB-CG 4.2Å; L69-W111 HydrophobicContact CD1-CD2 4.01Å; L69-W111 HydrophobicContact CD1-CE3 3.99Å; L69-W111 HydrophobicContact CD1-CH2 4.45Å; L69-W111 HydrophobicContact CD1-CZ2 4.43Å; L69-W111 HydrophobicContact CD1-CZ3 4.22Å; L69-W111 HydrophobicContact CD2-CB 4.45Å; L69-W111 HydrophobicContact CD2-CD2 4.5Å; L69-W111 HydrophobicContact CD2-CG 4.27Å; L69-W111 HydrophobicContact CG-CD2 4.46Å; T73-W111 WeakPolarHBondContact O-CH2 3.29Å; E103-W111 HydrophobicContact CG-CE3 4.09Å; E103-W111 HydrophobicContact CG-CZ3 4.28Å; S109-W111 PolarHBondContact O-N 3.45Å; S109-W111 PolarHBondContact OG-N 2.89Å; W111-P113 VanDerWaalsContact C-CD 3.46Å; W111-P113 VanDerWaalsContact C-N 3.31Å; W111-P113 VanDerWaalsContact O-N 3.13Å; W111-Y114 HydrophobicContact CB-CD1 4.2Å; W111-Y114 WeakPolarHBondContact O-CA 3.44Å; W111-Y114 WeakPolarHBondContact O-CB 3.45Å; W111-Y114 PolarHBondContact O-N 3.03Å; W111-L115 HydrophobicContact CB-CD1 3.97Å; W111-L115 HydrophobicContact CB-CG 4.01Å; W111-L115 WeakPolarHBondContact O-CG 3.39Å; W111-L115 PolarHBondContact O-N 3Å
112R96.8Very high93.2Very high145 Ų14551.5 Ų51.555%0.54727%0.273SS..Hα-helixtrans-48.5-43-177178.4179.4175.1131.36.4114.2P107 S109 H110 L115 S116P107-R112 PolarHBondContact O-NH1 3.49Å; S109-R112 VanDerWaalsContact O-CB 3.25Å; S109-R112 WeakPolarHBondContact O-CB 3.46Å; S109-R112 PolarHBondContact O-N 3.37Å; S109-R112 VanDerWaalsContact O-N 3.13Å; H110-R112 VanDerWaalsContact C-N 3.34Å; R112-L115 PolarHBondContact O-N 3.44Å; R112-S116 WeakPolarHBondContact O-CB 3.41Å; R112-S116 PolarHBondContact O-N 2.89Å
113P96.9Very high92.5Very high22 Ų2253.5 Ų53.514%0.14329%0.294CS..Hα-helixtrans-61.8-42.1176.1-25.838.3000113W23 W111 S116W23-P113 HydrophobicContact CB-CB 3.63Å; W23-P113 HydrophobicContact CB-CG 3.78Å; W23-P113 HydrophobicContact CG-CB 3.9Å; W23-P113 HydrophobicContact CG-CG 3.83Å; W111-P113 VanDerWaalsContact C-CD 3.46Å; W111-P113 VanDerWaalsContact C-N 3.31Å; W111-P113 VanDerWaalsContact O-N 3.13Å; P113-S116 PolarHBondContact O-N 3.42Å; P113-S116 PolarHBondContact O-OG 2.62Å
114Y97.1Very high91.9Very high0 Ų054 Ų540%030%0.297CS..Hα-helixtrans-64.2-50.6174.4163.1-115.8000111.9F20 L69 W111 S116 L117 W118 M219 P221 D224 M225F20-Y114 AromaticContact CE2-CD2 3.98Å; F20-Y114 HydrophobicContact CE2-CD2 3.98Å; F20-Y114 HydrophobicContact CE2-CG 4.35Å; L69-Y114 HydrophobicContact CD2-CE1 4.39Å; W111-Y114 HydrophobicContact CB-CD1 4.2Å; W111-Y114 WeakPolarHBondContact O-CA 3.44Å; W111-Y114 WeakPolarHBondContact O-CB 3.45Å; W111-Y114 PolarHBondContact O-N 3.03Å; Y114-S116 PolarHBondContact O-N 2.95Å; Y114-S116 VanDerWaalsContact O-N 3.16Å; Y114-L117 WeakPolarHBondContact O-CB 3.41Å; Y114-L117 PolarHBondContact O-N 3.01Å; Y114-W118 HydrophobicContact CE1-CZ2 4.14Å; Y114-W118 AromaticContact CE1-NE1 3.49Å; Y114-W118 AromaticContact CE2-NE1 3.76Å; Y114-W118 AromaticContact CZ-NE1 3.23Å; Y114-W118 PolarHBondContact OH-NE1 3.47Å; Y114-M219 HydrophobicContact CE1-CB 4.29Å; Y114-P221 HydrophobicContact CD1-CB 4.45Å; Y114-P221 HydrophobicContact CD1-CG 3.93Å; Y114-P221 HydrophobicContact CD2-CB 3.66Å; Y114-P221 HydrophobicContact CD2-CG 4.02Å; Y114-P221 HydrophobicContact CE1-CG 4.07Å; Y114-P221 HydrophobicContact CE2-CB 3.98Å; Y114-P221 HydrophobicContact CE2-CG 4.17Å; Y114-P221 HydrophobicContact CG-CB 3.92Å; Y114-P221 HydrophobicContact CG-CG 3.9Å; Y114-D224 WeakPolarHBondContact CE2-OD2 3.37Å; Y114-D224 VanDerWaalsContact CZ-OD2 3.23Å; Y114-D224 PolarHBondContact OH-OD2 3.21Å; Y114-M225 HydrophobicContact CD2-CE 4.34Å; Y114-M225 HydrophobicContact CE2-CE 4.16Å
115L96Very high91.7Very high24 Ų2453.2 Ų53.213%0.12629%0.289CS..Hα-helixtrans-61.3-26.3179-62.1169.8000112.5L69 E103 W111 R112 L117 W118L69-L115 HydrophobicContact CD2-CD2 4.08Å; E103-L115 HydrophobicContact CB-CD1 4.18Å; E103-L115 WeakPolarHBondContact O-CD1 3.35Å; W111-L115 HydrophobicContact CB-CD1 3.97Å; W111-L115 HydrophobicContact CB-CG 4.01Å; W111-L115 WeakPolarHBondContact O-CG 3.39Å; W111-L115 PolarHBondContact O-N 3Å; R112-L115 PolarHBondContact O-N 3.44Å; L115-L117 PolarHBondContact O-N 3.17Å; L115-W118 HydrophobicContact CD2-CD2 3.9Å; L115-W118 VanDerWaalsContact CD2-CE2 3.44Å; L115-W118 HydrophobicContact CD2-CE3 4.12Å; L115-W118 HydrophobicContact CD2-CH2 3.57Å; L115-W118 HydrophobicContact CD2-CZ2 3.29Å; L115-W118 HydrophobicContact CD2-CZ3 3.97Å; L115-W118 WeakPolarHBondContact O-CB 3.14Å; L115-W118 PolarHBondContact O-N 2.98Å
116S94.1Very high91.8Very high39 Ų3950.7 Ų50.727%0.27327%0.273SS..THydrogen-bonded Turntrans-69.7-19.1176.681.60000114.1R16 R112 P113 Y114R16-S116 WeakPolarHBondContact CD-O 3.46Å; R16-S116 PolarHBondContact NH1-O 3.32Å; R112-S116 WeakPolarHBondContact O-CB 3.41Å; R112-S116 PolarHBondContact O-N 2.89Å; P113-S116 PolarHBondContact O-N 3.42Å; P113-S116 PolarHBondContact O-OG 2.62Å; Y114-S116 PolarHBondContact O-N 2.95Å; Y114-S116 VanDerWaalsContact O-N 3.16Å
117L93.4Very high91.9Very high2 Ų249.7 Ų49.71%0.0127%0.267CS..THydrogen-bonded Turntrans-86.9-13.2175.4-63.2-173000113.3R16 L17 F20 Y46 Y114 L115 M225R16-L117 HydrophobicContact CB-CD2 3.86Å; L17-L117 HydrophobicContact CD1-CD1 4.26Å; F20-L117 HydrophobicContact CB-CD1 3.51Å; F20-L117 HydrophobicContact CB-CG 4.08Å; F20-L117 HydrophobicContact CD1-CD1 3.38Å; F20-L117 HydrophobicContact CD2-CD1 4.01Å; F20-L117 HydrophobicContact CE1-CD1 4.05Å; F20-L117 HydrophobicContact CG-CD1 3.34Å; F20-L117 HydrophobicContact CG-CG 4.29Å; Y46-L117 HydrophobicContact CE2-CB 4.5Å; Y114-L117 WeakPolarHBondContact O-CB 3.41Å; Y114-L117 PolarHBondContact O-N 3.01Å; L115-L117 PolarHBondContact O-N 3.17Å; L117-M225 HydrophobicContact CB-CE 3.71Å; L117-M225 HydrophobicContact CD1-CE 4.09Å
118W92.2Very high92Very high21 Ų2145.8 Ų45.88%0.0824%0.24CC..SBendtrans-54.8136.3177.6-745.3000110.4L100 Y114 L115 G120 F121 L187 F190 M219L100-W118 HydrophobicContact CD1-CH2 4.3Å; L100-W118 HydrophobicContact CD2-CH2 4.09Å; Y114-W118 HydrophobicContact CE1-CZ2 4.14Å; Y114-W118 AromaticContact CE1-NE1 3.49Å; Y114-W118 AromaticContact CE2-NE1 3.76Å; Y114-W118 AromaticContact CZ-NE1 3.23Å; Y114-W118 PolarHBondContact OH-NE1 3.47Å; L115-W118 HydrophobicContact CD2-CD2 3.9Å; L115-W118 VanDerWaalsContact CD2-CE2 3.44Å; L115-W118 HydrophobicContact CD2-CE3 4.12Å; L115-W118 HydrophobicContact CD2-CH2 3.57Å; L115-W118 HydrophobicContact CD2-CZ2 3.29Å; L115-W118 HydrophobicContact CD2-CZ3 3.97Å; L115-W118 WeakPolarHBondContact O-CB 3.14Å; L115-W118 PolarHBondContact O-N 2.98Å; W118-G120 PolarHBondContact O-N 3.48Å; W118-F121 AromaticContact CE3-CE1 3.83Å; W118-F121 HydrophobicContact CE3-CE1 3.83Å; W118-F121 AromaticContact CE3-CZ 3.79Å; W118-F121 HydrophobicContact CE3-CZ 3.79Å; W118-F121 HydrophobicContact CZ3-CE1 4.11Å; W118-F121 AromaticContact CZ3-CZ 3.87Å; W118-F121 HydrophobicContact CZ3-CZ 3.87Å; W118-L187 HydrophobicContact CH2-CD2 4.29Å; W118-L187 HydrophobicContact CZ3-CD2 3.78Å; W118-F190 HydrophobicContact CB-CE2 4Å; W118-F190 HydrophobicContact CB-CZ 3.99Å; W118-F190 AromaticContact CD1-CZ 3.45Å; W118-F190 VanDerWaalsContact CD1-CZ 3.45Å; W118-F190 HydrophobicContact CD2-CD1 4.31Å; W118-F190 AromaticContact CD2-CE1 3.58Å; W118-F190 HydrophobicContact CD2-CE1 3.58Å; W118-F190 AromaticContact CD2-CE2 3.86Å; W118-F190 HydrophobicContact CD2-CE2 3.86Å; W118-F190 AromaticContact CD2-CZ 3.33Å; W118-F190 HydrophobicContact CD2-CZ 3.33Å; W118-F190 AromaticContact CE2-CE1 3.21Å; W118-F190 AromaticContact CE2-CZ 3.39Å; W118-F190 HydrophobicContact CE3-CD1 4.34Å; W118-F190 HydrophobicContact CE3-CD2 4.44Å; W118-F190 HydrophobicContact CE3-CE1 4.06Å; W118-F190 HydrophobicContact CE3-CE2 4.15Å; W118-F190 AromaticContact CE3-CZ 3.97Å; W118-F190 HydrophobicContact CE3-CZ 3.97Å; W118-F190 HydrophobicContact CG-CE1 4.06Å; W118-F190 AromaticContact CG-CE2 3.84Å; W118-F190 HydrophobicContact CG-CE2 3.84Å; W118-F190 AromaticContact CG-CZ 3.35Å; W118-F190 HydrophobicContact CG-CZ 3.35Å; W118-F190 AromaticContact CH2-CD1 3.92Å; W118-F190 HydrophobicContact CH2-CD1 3.92Å; W118-F190 AromaticContact CH2-CE1 3.89Å; W118-F190 HydrophobicContact CH2-CE1 3.89Å; W118-F190 AromaticContact CZ2-CD1 3.87Å; W118-F190 HydrophobicContact CZ2-CD1 3.87Å; W118-F190 AromaticContact CZ2-CE1 3.38Å; W118-F190 HydrophobicContact CZ2-CE1 3.38Å; W118-F190 HydrophobicContact CZ2-CZ 4.06Å; W118-F190 HydrophobicContact CZ3-CD1 4.17Å; W118-F190 HydrophobicContact CZ3-CE1 4.21Å; W118-F190 HydrophobicContact CZ3-CG 4.5Å; W118-F190 AromaticContact NE1-CE1 3.53Å; W118-F190 AromaticContact NE1-CZ 3.45Å; W118-M219 HydrophobicContact CZ2-CE 4.39Å
119P84.3Confident92.1Very high27 Ų2741.8 Ų41.818%0.17522%0.221CC..PPolyproline II helixtrans-56140.7168.725.9-35.9000108.5F121 A123 L124 F190 Y194P119-F121 PolarHBondContact O-N 2.88Å; P119-A123 HydrophobicContact CB-CB 4.33Å; P119-L124 HydrophobicContact CG-CD2 4.48Å; P119-F190 HydrophobicContact CG-CE2 4.01Å; P119-Y194 HydrophobicContact CG-CE2 4.36Å
120G83.1Confident92Very high54 Ų5441.8 Ų41.856%0.55722%0.219SC*.PPolyproline II helixtrans-56.4131.3171.600000108.5W118 K122 A123W118-G120 PolarHBondContact O-N 3.48Å; G120-K122 PolarHBondContact O-N 3.43Å; G120-A123 VanDerWaalsContact O-CB 3.26Å; G120-A123 WeakPolarHBondContact O-CB 3.3Å; G120-A123 PolarHBondContact O-N 3.34Å
121F83.3Confident92Very high41 Ų4139.9 Ų39.918%0.1822%0.217CC..G310 helixtrans-55.6-18.8-170.6-61.5-47.9000115.1W118 P119 A123 L124 L183 Q186 L187 F190W118-F121 AromaticContact CE3-CE1 3.83Å; W118-F121 HydrophobicContact CE3-CE1 3.83Å; W118-F121 AromaticContact CE3-CZ 3.79Å; W118-F121 HydrophobicContact CE3-CZ 3.79Å; W118-F121 HydrophobicContact CZ3-CE1 4.11Å; W118-F121 AromaticContact CZ3-CZ 3.87Å; W118-F121 HydrophobicContact CZ3-CZ 3.87Å; P119-F121 PolarHBondContact O-N 2.88Å; F121-A123 PolarHBondContact O-N 3.33Å; F121-L124 HydrophobicContact CD1-CD1 4.18Å; F121-L124 WeakPolarHBondContact O-CB 3.29Å; F121-L124 PolarHBondContact O-N 3.02Å; F121-L183 HydrophobicContact CD2-CD1 4Å; F121-L183 HydrophobicContact CE2-CD1 3.59Å; F121-Q186 HydrophobicContact CB-CB 3.87Å; F121-Q186 HydrophobicContact CB-CG 3.81Å; F121-Q186 HydrophobicContact CD1-CB 4.33Å; F121-Q186 HydrophobicContact CD2-CB 4.04Å; F121-Q186 HydrophobicContact CG-CB 3.84Å; F121-Q186 HydrophobicContact CG-CG 4.31Å; F121-L187 HydrophobicContact CE1-CD2 4.13Å; F121-L187 HydrophobicContact CE2-CD2 4.39Å; F121-L187 HydrophobicContact CZ-CD2 3.61Å; F121-L187 HydrophobicContact CZ-CG 4.44Å; F121-F190 HydrophobicContact CD1-CD2 4.04Å; F121-F190 HydrophobicContact CE1-CB 4.29Å; F121-F190 AromaticContact CE1-CD2 3.69Å; F121-F190 HydrophobicContact CE1-CD2 3.69Å; F121-F190 HydrophobicContact CE1-CE2 4.34Å; F121-F190 HydrophobicContact CE1-CG 4.11Å
122K79.1Confident91.9Very high199 Ų19945.4 Ų45.487%0.86524%0.241SC*.G310 helixtrans-69.8-14172.2-63.4-174.7178.2-178.40114.5G120G120-K122 PolarHBondContact O-N 3.43Å
123A82.1Confident91.9Very high66 Ų6645 Ų4555%0.54525%0.245SC..G310 helixtrans-84.8-17.5175.800000112.3P119 G120 F121 D125P119-A123 HydrophobicContact CB-CB 4.33Å; G120-A123 VanDerWaalsContact O-CB 3.26Å; G120-A123 WeakPolarHBondContact O-CB 3.3Å; G120-A123 PolarHBondContact O-N 3.34Å; F121-A123 PolarHBondContact O-N 3.33Å; A123-D125 PolarHBondContact O-N 2.92Å
124L87.3Confident91.8Very high14 Ų1446.5 Ų46.57%0.07325%0.25CS..  trans-63.3122.9171.9-58.2-179.3000108.7P119 F121 F129 A189 F190 Y194P119-L124 HydrophobicContact CG-CD2 4.48Å; F121-L124 HydrophobicContact CD1-CD1 4.18Å; F121-L124 WeakPolarHBondContact O-CB 3.29Å; F121-L124 PolarHBondContact O-N 3.02Å; L124-F129 HydrophobicContact CB-CD2 4.24Å; L124-F129 HydrophobicContact CB-CE2 3.83Å; L124-F129 HydrophobicContact CD1-CE2 4.37Å; L124-A189 HydrophobicContact CD1-CB 3.98Å; L124-F190 HydrophobicContact CD1-CD2 4.44Å; L124-Y194 HydrophobicContact CD2-CE2 4.08Å
125D90.7Very high91.8Very high27 Ų2747.2 Ų47.214%0.14425%0.253CS..  trans-11529.1-176.9-158.734000112.6A123 W130 R430 R433A123-D125 PolarHBondContact O-N 2.92Å; D125-W130 PolarHBondContact O-NE1 3.44Å; D125-W130 PolarHBondContact OD1-NE1 3.37Å; D125-R430 IonicContact OD1-CZ 2.82Å; D125-R430 IonicContact OD1-NE 2.75Å; D125-R430 PolarHBondContact OD1-NE 2.93Å; D125-R430 IonicContact OD1-NH2 2.95Å; D125-R430 PolarHBondContact OD1-NH2 2.96Å; D125-R430 WeakPolarHBondContact OD2-CG 3.46Å; D125-R430 IonicContact OD2-NE 2.68Å; D125-R433 IonicContact OD2-CZ 3.7Å; D125-R433 VanDerWaalsContact OD2-CZ 3.24Å; D125-R433 IonicContact OD2-NE 2.66Å; D125-R433 IonicContact OD2-NH1 3.34Å; D125-R433 IonicContact OD2-NH2 3.16Å; D125-R433 PolarHBondContact OD2-NH2 3.46Å
126H96.3Very high91.7Very high2 Ų248.9 Ų48.91%0.00926%0.262CS..  trans-52.8140.4170.7-62.269.9000111M128 F129 W130 A189 H271 M272H126-M128 HydrophobicContact CB-CG 3.91Å; H126-M128 HydrophobicContact CB-SD 4.36Å; H126-M128 PolarHBondContact O-N 3.47Å; H126-F129 HydrophobicContact CB-CD2 3.92Å; H126-F129 HydrophobicContact CB-CE2 4.05Å; H126-F129 PolarHBondContact O-N 3.36Å; H126-W130 VanDerWaalsContact O-CD1 3.26Å; H126-W130 PolarHBondContact O-NE1 3.3Å; H126-A189 PolarHBondContact CE1-O 2.96Å; H126-A189 PolarHBondContact NE2-O 3.18Å; H126-H271 PolarHBondContact CD2-O 2.87Å; H126-H271 VanDerWaalsContact CD2-O 3.3Å; H126-M272 PolarHBondContact CD2-O 2.65Å; H126-M272 VanDerWaalsContact CD2-O 3.29Å; H126-M272 PolarHBondContact NE2-O 3.04Å
127P97.2Very high91.7Very high0 Ų055.2 Ų55.20%029%0.285CS..G310 helixtrans-55.1-21177.8-30.636.9000115.4F129 W130 R135 L139 V144 V148 L270P127-F129 PolarHBondContact O-N 2.92Å; P127-W130 HydrophobicContact CB-CD2 4.38Å; P127-W130 HydrophobicContact CG-CZ2 4.35Å; P127-W130 WeakPolarHBondContact O-CB 3.07Å; P127-W130 PolarHBondContact O-N 3.29Å; P127-W130 VanDerWaalsContact O-N 3.13Å; P127-R135 PolarHBondContact O-NH1 2.72Å; P127-L139 HydrophobicContact CB-CD1 4.19Å; P127-L139 HydrophobicContact CG-CD1 4.21Å; P127-V144 HydrophobicContact CB-CG1 3.77Å; P127-V144 HydrophobicContact CG-CG1 3.73Å; P127-V148 HydrophobicContact CB-CG2 3.9Å; P127-L270 WeakPolarHBondContact CD-O 3.3Å; P127-L270 HydrophobicContact CG-CD1 4.17Å; P127-L270 HydrophobicContact CG-CD2 4.31Å; P127-L270 HydrophobicContact CG-CG 3.72Å
128M96.4Very high91.8Very high14 Ų1456.3 Ų56.37%0.06929%0.29CS..G310 helixtrans-64.6-23.7172.874.1-171.3-52.600113.8H126 V148 L152 I155 T185 A189 M192H126-M128 HydrophobicContact CB-CG 3.91Å; H126-M128 HydrophobicContact CB-SD 4.36Å; H126-M128 PolarHBondContact O-N 3.47Å; M128-V148 HydrophobicContact CB-CG1 3.82Å; M128-L152 HydrophobicContact CB-CD2 4.22Å; M128-L152 HydrophobicContact CB-CG 4.42Å; M128-L152 HydrophobicContact CE-CD2 3.87Å; M128-I155 HydrophobicContact CE-CD1 3.33Å; M128-T185 HydrophobicContact CE-CG2 3.57Å; M128-A189 HydrophobicContact SD-CB 3.82Å; M128-M192 HydrophobicContact SD-CE 3.55Å; M128-M192 VanDerWaalsContact SD-CE 3.55Å
129F95.8Very high92Very high68 Ų6855.3 Ų55.330%0.29829%0.286SS..G310 helixtrans-91.9-0.9174.6-55.8-54.4000113.2L124 H126 P127 T185 Q186 A189L124-F129 HydrophobicContact CB-CD2 4.24Å; L124-F129 HydrophobicContact CB-CE2 3.83Å; L124-F129 HydrophobicContact CD1-CE2 4.37Å; H126-F129 HydrophobicContact CB-CD2 3.92Å; H126-F129 HydrophobicContact CB-CE2 4.05Å; H126-F129 PolarHBondContact O-N 3.36Å; P127-F129 PolarHBondContact O-N 2.92Å; F129-T185 HydrophobicContact CE1-CG2 4Å; F129-Q186 HydrophobicContact CZ-CG 4.5Å; F129-A189 HydrophobicContact CE2-CB 3.53Å; F129-A189 HydrophobicContact CZ-CB 3.51Å
130W95.7Very high92.6Very high9 Ų959.3 Ų59.33%0.03430%0.301CS..SBendtrans-81.4154.7175-5813.6000109.5D125 H126 P127 E134 R135 L138 L139 L270 R430D125-W130 PolarHBondContact O-NE1 3.44Å; D125-W130 PolarHBondContact OD1-NE1 3.37Å; H126-W130 VanDerWaalsContact O-CD1 3.26Å; H126-W130 PolarHBondContact O-NE1 3.3Å; P127-W130 HydrophobicContact CB-CD2 4.38Å; P127-W130 HydrophobicContact CG-CZ2 4.35Å; P127-W130 WeakPolarHBondContact O-CB 3.07Å; P127-W130 PolarHBondContact O-N 3.29Å; P127-W130 VanDerWaalsContact O-N 3.13Å; W130-E134 HydrophobicContact CE3-CG 4.32Å; W130-R135 HydrophobicContact CB-CB 4.42Å; W130-R135 PolarHBondContact O-NH1 2.72Å; W130-L138 HydrophobicContact CZ3-CD1 4.34Å; W130-L139 HydrophobicContact CE3-CD1 4.11Å; W130-L139 HydrophobicContact CH2-CD1 4.07Å; W130-L139 HydrophobicContact CZ3-CD1 3.54Å; W130-L139 HydrophobicContact CZ3-CG 4.16Å; W130-L270 HydrophobicContact CH2-CD1 4.35Å; W130-L270 HydrophobicContact CH2-CD2 4.22Å; W130-L270 HydrophobicContact CZ2-CD1 4.12Å; W130-R430 HydrophobicContact CD2-CG 4.23Å; W130-R430 HydrophobicContact CH2-CB 3.77Å; W130-R430 HydrophobicContact CH2-CG 4.1Å; W130-R430 HydrophobicContact CZ2-CB 3.79Å; W130-R430 HydrophobicContact CZ2-CG 3.57Å; W130-R430 HydrophobicContact CZ3-CB 4.16Å
131S95.9Very high93.1Very high55 Ų5557.5 Ų57.539%0.38528%0.283SS..  trans-61.5145.9170.6107.40000108.9E133 E134 R135S131-E133 WeakPolarHBondContact CB-OE2 3.45Å; S131-E133 PolarHBondContact O-N 3.04Å; S131-E133 PolarHBondContact OG-N 2.91Å; S131-E133 PolarHBondContact OG-OE2 2.66Å; S131-E134 PolarHBondContact O-N 3.44Å; S131-E134 VanDerWaalsContact O-N 3.13Å; S131-E134 PolarHBondContact OG-N 3.49Å; S131-E134 VanDerWaalsContact OG-N 3.1Å; S131-R135 PolarHBondContact O-N 3.42Å
132K96.3Very high93.8Very high125 Ų12555.7 Ų55.754%0.54328%0.275SS..Hα-helixtrans-56.4-42179-175.2179.9-176.1-61.70110.8E134 R135 D136K132-E134 PolarHBondContact O-N 3.23Å; K132-R135 PolarHBondContact O-N 3.16Å; K132-D136 IonicContact NZ-OD2 2.66Å; K132-D136 PolarHBondContact NZ-OD2 3.33Å; K132-D136 VanDerWaalsContact O-CB 3.3Å; K132-D136 WeakPolarHBondContact O-CB 3.26Å; K132-D136 PolarHBondContact O-N 3.3Å
133E96.7Very high94.6Very high136 Ų13647.6 Ų47.664%0.63625%0.247SC*.Hα-helixtrans-64.7-40.2178.8-54.972.8-158.200112.3S131 K137S131-E133 WeakPolarHBondContact CB-OE2 3.45Å; S131-E133 PolarHBondContact O-N 3.04Å; S131-E133 PolarHBondContact OG-N 2.91Å; S131-E133 PolarHBondContact OG-OE2 2.66Å; E133-K137 WeakPolarHBondContact O-CB 3.26Å; E133-K137 PolarHBondContact O-N 3.14Å; E133-K137 VanDerWaalsContact O-N 3.11Å
134E95.3Very high95.3Very high54 Ų5444.4 Ų44.425%0.25222%0.221SC..Hα-helixtrans-66-48.2176.3-179.7171.9-132.800110.9W130 S131 K132 K137 L138 R430W130-E134 HydrophobicContact CE3-CG 4.32Å; S131-E134 PolarHBondContact O-N 3.44Å; S131-E134 VanDerWaalsContact O-N 3.13Å; S131-E134 PolarHBondContact OG-N 3.49Å; S131-E134 VanDerWaalsContact OG-N 3.1Å; K132-E134 PolarHBondContact O-N 3.23Å; E134-K137 PolarHBondContact O-N 3.4Å; E134-L138 HydrophobicContact CG-CD1 3.66Å; E134-L138 HydrophobicContact CG-CG 4.33Å; E134-L138 WeakPolarHBondContact O-CB 3.47Å; E134-L138 VanDerWaalsContact O-CG 3.3Å; E134-L138 WeakPolarHBondContact O-CG 3.34Å; E134-L138 PolarHBondContact O-N 3.46Å; E134-R430 WeakPolarHBondContact OE2-CD 3.5Å; E134-R430 IonicContact OE2-CZ 3.16Å; E134-R430 IonicContact OE2-NH1 3.37Å; E134-R430 PolarHBondContact OE2-NH1 3.13Å
135R96.4Very high95.8Very high14 Ų1444.3 Ų44.35%0.05322%0.221CC..Hα-helixtrans-60.7-53178.5-178.8171.962.2-105.9-1.3111.5P127 W130 S131 K132 K137 L138 L139 P145P127-R135 PolarHBondContact O-NH1 2.72Å; W130-R135 HydrophobicContact CB-CB 4.42Å; W130-R135 PolarHBondContact O-NH1 2.72Å; S131-R135 PolarHBondContact O-N 3.42Å; K132-R135 PolarHBondContact O-N 3.16Å; R135-K137 PolarHBondContact O-N 3.18Å; R135-L138 PolarHBondContact O-N 3.26Å; R135-L139 HydrophobicContact CG-CD1 4.2Å; R135-L139 WeakPolarHBondContact O-CB 3.37Å; R135-L139 PolarHBondContact O-N 3.18Å; R135-P145 HydrophobicContact CG-CB 4.32Å; R135-P145 HydrophobicContact CG-CG 4.27Å
136D95.1Very high96Very high59 Ų5948.4 Ų48.432%0.31624%0.24SC..Hα-helixtrans-61.6-33.9-178.6-66.9-3.7000111.7K132 K140K132-D136 IonicContact NZ-OD2 2.66Å; K132-D136 PolarHBondContact NZ-OD2 3.33Å; K132-D136 VanDerWaalsContact O-CB 3.3Å; K132-D136 WeakPolarHBondContact O-CB 3.26Å; K132-D136 PolarHBondContact O-N 3.3Å; D136-K140 WeakPolarHBondContact O-CB 3.45Å
137K93.8Very high96Very high173 Ų17349.5 Ų49.575%0.75225%0.249SC*.Hα-helixtrans-75.1-42.2178.4-179.1176.4179.1175.80112.7E133 E134 R135E133-K137 WeakPolarHBondContact O-CB 3.26Å; E133-K137 PolarHBondContact O-N 3.14Å; E133-K137 VanDerWaalsContact O-N 3.11Å; E134-K137 PolarHBondContact O-N 3.4Å; R135-K137 PolarHBondContact O-N 3.18Å
138L94.7Very high96Very high24 Ų2449.5 Ų49.513%0.12625%0.249CC..Hα-helixtrans-88.8-27.4-171.9-65.9-178.5000112.9W130 E134 R135 R431 A434 R438W130-L138 HydrophobicContact CZ3-CD1 4.34Å; E134-L138 HydrophobicContact CG-CD1 3.66Å; E134-L138 HydrophobicContact CG-CG 4.33Å; E134-L138 WeakPolarHBondContact O-CB 3.47Å; E134-L138 VanDerWaalsContact O-CG 3.3Å; E134-L138 WeakPolarHBondContact O-CG 3.34Å; E134-L138 PolarHBondContact O-N 3.46Å; R135-L138 PolarHBondContact O-N 3.26Å; L138-R431 HydrophobicContact CD1-CG 3.97Å; L138-R431 HydrophobicContact CD2-CG 4.14Å; L138-A434 HydrophobicContact CB-CB 3.77Å; L138-R438 WeakPolarHBondContact O-CD 3.35Å; L138-R438 PolarHBondContact O-NH1 3.35Å
139L96.7Very high96.1Very high0 Ų051.4 Ų51.40%027%0.267CS..SBendtrans-11915-170.6-67.1169000112.8P127 W130 R135 G141 T142 V144 P145 L270 A434P127-L139 HydrophobicContact CB-CD1 4.19Å; P127-L139 HydrophobicContact CG-CD1 4.21Å; W130-L139 HydrophobicContact CE3-CD1 4.11Å; W130-L139 HydrophobicContact CH2-CD1 4.07Å; W130-L139 HydrophobicContact CZ3-CD1 3.54Å; W130-L139 HydrophobicContact CZ3-CG 4.16Å; R135-L139 HydrophobicContact CG-CD1 4.2Å; R135-L139 WeakPolarHBondContact O-CB 3.37Å; R135-L139 PolarHBondContact O-N 3.18Å; L139-G141 PolarHBondContact O-N 3.12Å; L139-T142 HydrophobicContact CD2-CG2 4.36Å; L139-T142 WeakPolarHBondContact O-CB 3.46Å; L139-T142 WeakPolarHBondContact O-CG2 3.31Å; L139-T142 PolarHBondContact O-N 3.15Å; L139-T142 VanDerWaalsContact O-N 3.13Å; L139-T142 PolarHBondContact O-OG1 2.75Å; L139-V144 HydrophobicContact CB-CB 4.44Å; L139-V144 HydrophobicContact CD1-CB 4.2Å; L139-V144 HydrophobicContact CD1-CG1 3.85Å; L139-P145 HydrophobicContact CB-CG 3.89Å; L139-P145 VanDerWaalsContact O-CD 3.26Å; L139-P145 WeakPolarHBondContact O-CD 3.09Å; L139-P145 VanDerWaalsContact O-CG 3.3Å; L139-P145 WeakPolarHBondContact O-CG 3.4Å; L139-L270 HydrophobicContact CD1-CD2 4.03Å; L139-L270 HydrophobicContact CD2-CD2 3.7Å; L139-A434 HydrophobicContact CD2-CB 3.61Å; L139-A434 HydrophobicContact CG-CB 4.08Å
140K95.9Very high96.1Very high112 Ų11252 Ų5249%0.48728%0.276SS..THydrogen-bonded Turntrans-53.5130.8175.9-161.4-173.2175.7-1680111.5D136 T142 S405D136-K140 WeakPolarHBondContact O-CB 3.45Å; K140-T142 PolarHBondContact O-N 2.95Å; K140-S405 WeakPolarHBondContact CD-O 3.27Å; K140-S405 VanDerWaalsContact CE-O 3.24Å; K140-S405 WeakPolarHBondContact CE-O 3.36Å; K140-S405 WeakPolarHBondContact CG-O 3.44Å
141G94.9Very high96.2Very high16 Ų1653.3 Ų53.317%0.16528%0.284CS..THydrogen-bonded Turntrans81.6-4.6177.500000114.7L139 S405 Y406L139-G141 PolarHBondContact O-N 3.12Å; G141-S405 WeakPolarHBondContact CA-OG 3.4Å; G141-Y406 PolarHBondContact O-OH 3.41Å
142T96.9Very high96.3Very high3 Ų353.6 Ų53.62%0.01828%0.281CS..SBendtrans-87.9-6.8-176.567.30000114.7L139 K140 V144 Y406 V437 R438 Q441L139-T142 HydrophobicContact CD2-CG2 4.36Å; L139-T142 WeakPolarHBondContact O-CB 3.46Å; L139-T142 WeakPolarHBondContact O-CG2 3.31Å; L139-T142 PolarHBondContact O-N 3.15Å; L139-T142 VanDerWaalsContact O-N 3.13Å; L139-T142 PolarHBondContact O-OG1 2.75Å; K140-T142 PolarHBondContact O-N 2.95Å; T142-V144 PolarHBondContact O-N 2.83Å; T142-V144 PolarHBondContact OG1-N 3.23Å; T142-Y406 HydrophobicContact CG2-CE1 4.05Å; T142-V437 HydrophobicContact CG2-CG1 3.8Å; T142-R438 HydrophobicContact CG2-CG 3.53Å; T142-Q441 VanDerWaalsContact CA-OE1 3.25Å; T142-Q441 VanDerWaalsContact CB-OE1 3.28Å; T142-Q441 PolarHBondContact O-NE2 3.24Å
143G95.7Very high96.3Very high28 Ų2851 Ų5129%0.28928%0.278SS..SBendtrans82.3-23.2-17200000114.7E146 A147G143-E146 WeakPolarHBondContact CA-OE2 3.37Å; G143-E146 PolarHBondContact O-N 3.24Å; G143-A147 PolarHBondContact O-N 3.49Å
144V97.8Very high96.3Very high0 Ų046.5 Ų46.50%026%0.259CS..Hα-helixtrans-60.7-43.1-178.6-177.90000113.6P127 L139 T142 E146 A147 V148 W267 H271P127-V144 HydrophobicContact CB-CG1 3.77Å; P127-V144 HydrophobicContact CG-CG1 3.73Å; L139-V144 HydrophobicContact CB-CB 4.44Å; L139-V144 HydrophobicContact CD1-CB 4.2Å; L139-V144 HydrophobicContact CD1-CG1 3.85Å; T142-V144 PolarHBondContact O-N 2.83Å; T142-V144 PolarHBondContact OG1-N 3.23Å; V144-E146 VanDerWaalsContact C-N 3.32Å; V144-E146 PolarHBondContact O-N 2.84Å; V144-A147 PolarHBondContact O-N 3.5Å; V144-V148 HydrophobicContact CG1-CG2 4.07Å; V144-V148 WeakPolarHBondContact O-CB 3.13Å; V144-V148 WeakPolarHBondContact O-CG2 3.31Å; V144-V148 PolarHBondContact O-N 2.91Å; V144-W267 HydrophobicContact CG2-CB 3.93Å; V144-W267 HydrophobicContact CG2-CE3 4.23Å; V144-H271 HydrophobicContact CG1-CB 4.33Å
145P97.4Very high96.5Very high11 Ų1144.3 Ų44.37%0.07125%0.249CC..Hα-helixtrans-59.7-41178.2-24.635.3000113.6R135 L139 A149R135-P145 HydrophobicContact CG-CB 4.32Å; R135-P145 HydrophobicContact CG-CG 4.27Å; L139-P145 HydrophobicContact CB-CG 3.89Å; L139-P145 VanDerWaalsContact O-CD 3.26Å; L139-P145 WeakPolarHBondContact O-CD 3.09Å; L139-P145 VanDerWaalsContact O-CG 3.3Å; L139-P145 WeakPolarHBondContact O-CG 3.4Å; P145-A149 WeakPolarHBondContact O-CB 3.37Å; P145-A149 PolarHBondContact O-N 3.39Å
146E95.4Very high96.6Very high113 Ų11347.9 Ų47.953%0.52827%0.266SS..Hα-helixtrans-67.5-49179.2-65.974.8-166.200110.8G143 V144 V148 A149 T150G143-E146 WeakPolarHBondContact CA-OE2 3.37Å; G143-E146 PolarHBondContact O-N 3.24Å; V144-E146 VanDerWaalsContact C-N 3.32Å; V144-E146 PolarHBondContact O-N 2.84Å; E146-V148 PolarHBondContact O-N 3.38Å; E146-A149 WeakPolarHBondContact O-CB 3.49Å; E146-A149 PolarHBondContact O-N 2.84Å; E146-A149 VanDerWaalsContact O-N 3.15Å; E146-T150 PolarHBondContact O-N 3.45Å; E146-T150 PolarHBondContact O-OG1 2.94Å
147A96.2Very high96.7Very high25 Ų2550.7 Ų50.721%0.20727%0.272CS..Hα-helixtrans-56.3-48.5176.100000111.8G143 V144 A149 T150 D151G143-A147 PolarHBondContact O-N 3.49Å; V144-A147 PolarHBondContact O-N 3.5Å; A147-A149 VanDerWaalsContact C-N 3.31Å; A147-A149 PolarHBondContact O-N 2.62Å; A147-T150 WeakPolarHBondContact O-CB 3.36Å; A147-T150 PolarHBondContact O-N 3.29Å; A147-D151 PolarHBondContact O-N 3.35Å
148V98Very high96.9Very high1 Ų142.9 Ų42.91%0.00624%0.239CC..Hα-helixtrans-62.6-36.6178169.10000112.6P127 M128 V144 E146 T150 D151 L152P127-V148 HydrophobicContact CB-CG2 3.9Å; M128-V148 HydrophobicContact CB-CG1 3.82Å; V144-V148 HydrophobicContact CG1-CG2 4.07Å; V144-V148 WeakPolarHBondContact O-CB 3.13Å; V144-V148 WeakPolarHBondContact O-CG2 3.31Å; V144-V148 PolarHBondContact O-N 2.91Å; E146-V148 PolarHBondContact O-N 3.38Å; V148-T150 VanDerWaalsContact C-N 3.34Å; V148-D151 PolarHBondContact O-N 2.72Å; V148-L152 HydrophobicContact CG1-CD1 3.85Å; V148-L152 HydrophobicContact CG1-CG 4.28Å; V148-L152 WeakPolarHBondContact O-CB 3.42Å; V148-L152 VanDerWaalsContact O-CG 3.29Å; V148-L152 WeakPolarHBondContact O-CG 3.47Å; V148-L152 PolarHBondContact O-N 2.87Å
149A97.3Very high97.1Very high54 Ų5442.6 Ų42.645%0.44624%0.236SC..Hα-helixtrans-65.6-41.6177.600000111.2P145 E146 A147 S153P145-A149 WeakPolarHBondContact O-CB 3.37Å; P145-A149 PolarHBondContact O-N 3.39Å; E146-A149 WeakPolarHBondContact O-CB 3.49Å; E146-A149 PolarHBondContact O-N 2.84Å; E146-A149 VanDerWaalsContact O-N 3.15Å; A147-A149 VanDerWaalsContact C-N 3.31Å; A147-A149 PolarHBondContact O-N 2.62Å; A149-S153 WeakPolarHBondContact O-CB 3.44Å; A149-S153 PolarHBondContact O-N 3.22Å; A149-S153 VanDerWaalsContact O-N 3.15Å
150T96Very high97.2Very high80 Ų8045.4 Ų45.449%0.49125%0.253SS..Hα-helixtrans-61.2-48.2173.6-62.40000111.1E146 A147 V148 L152 S153 N154E146-T150 PolarHBondContact O-N 3.45Å; E146-T150 PolarHBondContact O-OG1 2.94Å; A147-T150 WeakPolarHBondContact O-CB 3.36Å; A147-T150 PolarHBondContact O-N 3.29Å; V148-T150 VanDerWaalsContact C-N 3.34Å; T150-L152 PolarHBondContact O-N 2.89Å; T150-S153 WeakPolarHBondContact O-CB 3.41Å; T150-S153 PolarHBondContact O-N 3.06Å; T150-N154 WeakPolarHBondContact O-CB 3.27Å; T150-N154 VanDerWaalsContact O-CG 3.29Å; T150-N154 PolarHBondContact O-N 2.74Å; T150-N154 PolarHBondContact O-ND2 2.9Å
151D97.3Very high97.3Very high36 Ų3645.2 Ų45.219%0.19326%0.257CS..Hα-helixtrans-59.8-51178.8-66.7-23.5000112.2A147 V148 S153 N154 I155 H271A147-D151 PolarHBondContact O-N 3.35Å; V148-D151 PolarHBondContact O-N 2.72Å; D151-S153 PolarHBondContact O-N 2.78Å; D151-N154 PolarHBondContact O-N 3.21Å; D151-N154 VanDerWaalsContact O-N 3.1Å; D151-I155 HydrophobicContact CB-CD1 4.34Å; D151-I155 WeakPolarHBondContact O-CB 3.16Å; D151-I155 WeakPolarHBondContact O-CD1 3.17Å; D151-I155 WeakPolarHBondContact O-CG1 3.43Å; D151-I155 PolarHBondContact O-N 2.91Å; D151-H271 IonicContact OD2-CD2 2.72Å; D151-H271 IonicContact OD2-CE1 3.84Å; D151-H271 IonicContact OD2-NE2 4Å; D151-H271 PolarHBondContact OD2-NE2 3.28Å
152L97.9Very high97.4Very high61 Ų6146 Ų4632%0.31926%0.257SS..Hα-helixtrans-60.1-36.3-179-72.4172.8000111.9M128 V148 T150 Q156M128-L152 HydrophobicContact CB-CD2 4.22Å; M128-L152 HydrophobicContact CB-CG 4.42Å; M128-L152 HydrophobicContact CE-CD2 3.87Å; V148-L152 HydrophobicContact CG1-CD1 3.85Å; V148-L152 HydrophobicContact CG1-CG 4.28Å; V148-L152 WeakPolarHBondContact O-CB 3.42Å; V148-L152 VanDerWaalsContact O-CG 3.29Å; V148-L152 WeakPolarHBondContact O-CG 3.47Å; V148-L152 PolarHBondContact O-N 2.87Å; T150-L152 PolarHBondContact O-N 2.89Å; L152-Q156 VanDerWaalsContact O-CB 3.29Å; L152-Q156 WeakPolarHBondContact O-CB 3.45Å; L152-Q156 PolarHBondContact O-N 3.24Å; L152-Q156 VanDerWaalsContact O-N 3.1Å
153S97.6Very high97.5Very high70 Ų7045.8 Ų45.849%0.4926%0.256SS..Hα-helixtrans-65.5-47.9173.9-1740000111.6A149 T150 D151 Q156 R157A149-S153 WeakPolarHBondContact O-CB 3.44Å; A149-S153 PolarHBondContact O-N 3.22Å; A149-S153 VanDerWaalsContact O-N 3.15Å; T150-S153 WeakPolarHBondContact O-CB 3.41Å; T150-S153 PolarHBondContact O-N 3.06Å; D151-S153 PolarHBondContact O-N 2.78Å; S153-Q156 PolarHBondContact O-N 3.3Å; S153-R157 WeakPolarHBondContact O-CB 3.29Å; S153-R157 PolarHBondContact O-N 2.73Å
154N97.1Very high97.7Very high42 Ų4246.2 Ų46.223%0.22525%0.252CS..Hα-helixtrans-63.6-46.6179.6-71.5-19.4000111.7T150 D151 Q156 R157 E158T150-N154 WeakPolarHBondContact O-CB 3.27Å; T150-N154 VanDerWaalsContact O-CG 3.29Å; T150-N154 PolarHBondContact O-N 2.74Å; T150-N154 PolarHBondContact O-ND2 2.9Å; D151-N154 PolarHBondContact O-N 3.21Å; D151-N154 VanDerWaalsContact O-N 3.1Å; N154-Q156 PolarHBondContact O-N 2.66Å; N154-R157 PolarHBondContact O-N 3.13Å; N154-R157 PolarHBondContact OD1-NH2 3.1Å; N154-E158 WeakPolarHBondContact O-CB 3.32Å; N154-E158 WeakPolarHBondContact O-CG 3.48Å; N154-E158 PolarHBondContact O-N 3.21Å
155I98.3Very high97.7Very high8 Ų848.8 Ų48.84%0.04127%0.268CS..Hα-helixtrans-59.1-46.3177.8-67.7167.7000110.7M128 D151 R157 Y159 L181 Y184 T185 V188M128-I155 HydrophobicContact CE-CD1 3.33Å; D151-I155 HydrophobicContact CB-CD1 4.34Å; D151-I155 WeakPolarHBondContact O-CB 3.16Å; D151-I155 WeakPolarHBondContact O-CD1 3.17Å; D151-I155 WeakPolarHBondContact O-CG1 3.43Å; D151-I155 PolarHBondContact O-N 2.91Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 PolarHBondContact O-N 2.76Å; I155-Y159 VanDerWaalsContact O-CB 3.29Å; I155-Y159 WeakPolarHBondContact O-CB 3.21Å; I155-Y159 PolarHBondContact O-N 3.08Å; I155-L181 HydrophobicContact CG2-CD1 4.3Å; I155-Y184 HydrophobicContact CG2-CD1 3.76Å; I155-Y184 HydrophobicContact CG2-CE1 3.98Å; I155-T185 HydrophobicContact CD1-CG2 4.42Å; I155-T185 HydrophobicContact CG2-CG2 4.43Å; I155-V188 HydrophobicContact CD1-CB 4.05Å; I155-V188 HydrophobicContact CD1-CG1 3.61Å; I155-V188 HydrophobicContact CD1-CG2 4.36Å; I155-V188 HydrophobicContact CG1-CB 4.36Å; I155-V188 HydrophobicContact CG1-CG1 3.96Å; I155-V188 HydrophobicContact CG1-CG2 4.14Å
156Q98.3Very high97.7Very high90 Ų9048.3 Ų48.342%0.42127%0.265SS..Hα-helixtrans-60-45.4177.217868.555.100111.2L152 S153 N154 T160L152-Q156 VanDerWaalsContact O-CB 3.29Å; L152-Q156 WeakPolarHBondContact O-CB 3.45Å; L152-Q156 PolarHBondContact O-N 3.24Å; L152-Q156 VanDerWaalsContact O-N 3.1Å; S153-Q156 PolarHBondContact O-N 3.3Å; N154-Q156 PolarHBondContact O-N 2.66Å; Q156-T160 PolarHBondContact NE2-OG1 3.39Å; Q156-T160 VanDerWaalsContact O-CB 3.27Å; Q156-T160 WeakPolarHBondContact O-CB 3.31Å; Q156-T160 PolarHBondContact O-N 2.8Å; Q156-T160 PolarHBondContact O-OG1 2.73Å
157R98.1Very high97.8Very high118 Ų11842.9 Ų42.945%0.44524%0.24SC..Hα-helixtrans-64.6-53.1-179.9-173.5175.361.5-143.7-5.6111.2S153 N154 I155 Y159 T160 D161S153-R157 WeakPolarHBondContact O-CB 3.29Å; S153-R157 PolarHBondContact O-N 2.73Å; N154-R157 PolarHBondContact O-N 3.13Å; N154-R157 PolarHBondContact OD1-NH2 3.1Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 PolarHBondContact O-N 2.76Å; R157-Y159 VanDerWaalsContact C-N 3.32Å; R157-Y159 PolarHBondContact O-N 3.04Å; R157-T160 PolarHBondContact O-N 3.47Å; R157-D161 VanDerWaalsContact CG-OD2 3.28Å; R157-D161 WeakPolarHBondContact CG-OD2 3.34Å; R157-D161 VanDerWaalsContact O-CB 3.32Å; R157-D161 WeakPolarHBondContact O-CB 3.44Å; R157-D161 PolarHBondContact O-N 3.47Å
158E98.1Very high97.9Very high9 Ų947.9 Ų47.94%0.04226%0.257CS..Hα-helixtrans-55.7-46.9177.3-74.4-178.8175.100111.8S91 V94 N154 T160 I162 V163 Y184S91-E158 VanDerWaalsContact CB-OE1 3.25Å; S91-E158 WeakPolarHBondContact CB-OE1 3.21Å; S91-E158 PolarHBondContact OG-OE1 3.08Å; V94-E158 HydrophobicContact CG2-CB 4.46Å; V94-E158 HydrophobicContact CG2-CG 4.45Å; N154-E158 WeakPolarHBondContact O-CB 3.32Å; N154-E158 WeakPolarHBondContact O-CG 3.48Å; N154-E158 PolarHBondContact O-N 3.21Å; E158-T160 PolarHBondContact O-N 2.98Å; E158-I162 WeakPolarHBondContact O-CA 3.44Å; E158-I162 VanDerWaalsContact O-CB 3.31Å; E158-I162 WeakPolarHBondContact O-CB 3.31Å; E158-I162 PolarHBondContact O-N 3Å; E158-V163 PolarHBondContact O-N 3.36Å; E158-Y184 HydrophobicContact CB-CE1 4.4Å; E158-Y184 PolarHBondContact OE2-OH 3.43Å
159Y98.6Very high97.9Very high17 Ų1754 Ų547%0.06728%0.28CS..Iπ-helixtrans-63.7-43.5179.6-178.9-93.5000111.8I155 R157 V163 L164 H179 T180 L181 Y184I155-Y159 VanDerWaalsContact O-CB 3.29Å; I155-Y159 WeakPolarHBondContact O-CB 3.21Å; I155-Y159 PolarHBondContact O-N 3.08Å; R157-Y159 VanDerWaalsContact C-N 3.32Å; R157-Y159 PolarHBondContact O-N 3.04Å; Y159-V163 HydrophobicContact CD2-CB 4.03Å; Y159-V163 HydrophobicContact CD2-CG1 3.98Å; Y159-V163 HydrophobicContact CE2-CG1 4.23Å; Y159-L164 HydrophobicContact CD1-CB 4.31Å; Y159-L164 HydrophobicContact CE1-CB 3.95Å; Y159-L164 HydrophobicContact CE1-CD1 4.44Å; Y159-L164 HydrophobicContact CE1-CD2 4.18Å; Y159-L164 HydrophobicContact CE1-CG 4.41Å; Y159-L164 WeakPolarHBondContact O-CB 3.34Å; Y159-L164 PolarHBondContact O-N 2.91Å; Y159-H179 PolarHBondContact OH-O 3.07Å; Y159-T180 WeakPolarHBondContact OH-CA 3.41Å; Y159-L181 HydrophobicContact CD1-CB 3.74Å; Y159-L181 HydrophobicContact CD1-CD1 3.81Å; Y159-L181 HydrophobicContact CD1-CG 4.31Å; Y159-L181 HydrophobicContact CD2-CD1 4.47Å; Y159-L181 HydrophobicContact CE1-CB 3.74Å; Y159-L181 HydrophobicContact CG-CB 4.17Å; Y159-L181 HydrophobicContact CG-CD1 3.7Å; Y159-L181 PolarHBondContact OH-N 2.92Å; Y159-Y184 HydrophobicContact CD2-CD1 4.05Å; Y159-Y184 HydrophobicContact CD2-CD2 4.32Å; Y159-Y184 AromaticContact CD2-CG 3.76Å; Y159-Y184 HydrophobicContact CD2-CG 3.76Å; Y159-Y184 HydrophobicContact CG-CD1 4.37Å
160T98.2Very high97.9Very high60 Ų6052.6 Ų52.637%0.36826%0.264SS..Iπ-helixtrans-72.5-41.9-174.8-55.20000112.1Q156 R157 E158 P165Q156-T160 PolarHBondContact NE2-OG1 3.39Å; Q156-T160 VanDerWaalsContact O-CB 3.27Å; Q156-T160 WeakPolarHBondContact O-CB 3.31Å; Q156-T160 PolarHBondContact O-N 2.8Å; Q156-T160 PolarHBondContact O-OG1 2.73Å; R157-T160 PolarHBondContact O-N 3.47Å; E158-T160 PolarHBondContact O-N 2.98Å; T160-P165 VanDerWaalsContact O-CD 3.25Å; T160-P165 WeakPolarHBondContact O-CD 3.19Å
161D98Very high98Very high107 Ų10753.1 Ų53.157%0.57227%0.269SS*.Iπ-helixtrans-95.4-25.2-167.8-61.1-18.2000112.4R157R157-D161 VanDerWaalsContact CG-OD2 3.28Å; R157-D161 WeakPolarHBondContact CG-OD2 3.34Å; R157-D161 VanDerWaalsContact O-CB 3.32Å; R157-D161 WeakPolarHBondContact O-CB 3.44Å; R157-D161 PolarHBondContact O-N 3.47Å
162I98.4Very high97.9Very high32 Ų3257.7 Ų57.716%0.16429%0.289CS..Iπ-helixtrans-118.7-63-174.4-53.2170.3000110.9S86 L87 E88 V94 E158 P165 F166S86-I162 WeakPolarHBondContact O-CG2 3.36Å; L87-I162 HydrophobicContact CD2-CG2 4.29Å; E88-I162 VanDerWaalsContact O-CD1 3.32Å; E88-I162 WeakPolarHBondContact O-CD1 3.34Å; V94-I162 HydrophobicContact CG1-CG2 3.95Å; E158-I162 WeakPolarHBondContact O-CA 3.44Å; E158-I162 VanDerWaalsContact O-CB 3.31Å; E158-I162 WeakPolarHBondContact O-CB 3.31Å; E158-I162 PolarHBondContact O-N 3Å; I162-P165 WeakPolarHBondContact O-CD 3.24Å; I162-F166 VanDerWaalsContact O-CB 3.28Å; I162-F166 WeakPolarHBondContact O-CB 3.49Å; I162-F166 PolarHBondContact O-N 2.89Å
163V98.5Very high97.8Very high0 Ų057 Ų570%029%0.286CS..Iπ-helixtrans-67.7-50.6-168.7-177.50000111.6V94 L98 L101 E158 Y159 F166 I167 Y184V94-V163 HydrophobicContact CG1-CG2 4.21Å; V94-V163 HydrophobicContact CG2-CG2 4.48Å; L98-V163 HydrophobicContact CD2-CG1 3.97Å; L101-V163 HydrophobicContact CD1-CG1 4.1Å; E158-V163 PolarHBondContact O-N 3.36Å; Y159-V163 HydrophobicContact CD2-CB 4.03Å; Y159-V163 HydrophobicContact CD2-CG1 3.98Å; Y159-V163 HydrophobicContact CE2-CG1 4.23Å; V163-F166 WeakPolarHBondContact O-CB 3.47Å; V163-F166 PolarHBondContact O-N 2.93Å; V163-F166 VanDerWaalsContact O-N 3.12Å; V163-I167 HydrophobicContact CG1-CG2 4.26Å; V163-I167 WeakPolarHBondContact O-CG1 3.48Å; V163-I167 WeakPolarHBondContact O-CG2 3.46Å; V163-I167 PolarHBondContact O-N 2.83Å; V163-Y184 HydrophobicContact CB-CE2 4.49Å; V163-Y184 HydrophobicContact CG1-CD2 4.26Å; V163-Y184 HydrophobicContact CG1-CE2 4.31Å; V163-Y184 HydrophobicContact CG2-CD2 4.27Å; V163-Y184 HydrophobicContact CG2-CE2 3.59Å
164L98.5Very high97.9Very high36 Ų3653.8 Ų53.819%0.18826%0.263CS..Hα-helixtrans-62.3-44.8-177.6178.563.1000112.3Y159 F166 I167 K168 P176Y159-L164 HydrophobicContact CD1-CB 4.31Å; Y159-L164 HydrophobicContact CE1-CB 3.95Å; Y159-L164 HydrophobicContact CE1-CD1 4.44Å; Y159-L164 HydrophobicContact CE1-CD2 4.18Å; Y159-L164 HydrophobicContact CE1-CG 4.41Å; Y159-L164 WeakPolarHBondContact O-CB 3.34Å; Y159-L164 PolarHBondContact O-N 2.91Å; L164-F166 VanDerWaalsContact C-N 3.33Å; L164-I167 HydrophobicContact CD1-CD1 3.84Å; L164-I167 HydrophobicContact CD1-CG1 4.15Å; L164-I167 VanDerWaalsContact O-CG1 3.25Å; L164-I167 WeakPolarHBondContact O-CG1 3.31Å; L164-K168 HydrophobicContact CD1-CD 4.26Å; L164-K168 HydrophobicContact CD1-CG 4.35Å; L164-K168 HydrophobicContact CG-CD 4.28Å; L164-K168 WeakPolarHBondContact O-CB 3.49Å; L164-K168 VanDerWaalsContact O-CG 3.27Å; L164-K168 WeakPolarHBondContact O-CG 3.41Å; L164-K168 PolarHBondContact O-N 3.17Å; L164-K168 VanDerWaalsContact O-N 3.13Å; L164-P176 HydrophobicContact CD1-CB 4.35Å
165P98.4Very high97.8Very high54 Ų5455.2 Ų55.235%0.35127%0.271SS..Hα-helixtrans-60.4-40.2170.8-27.637.1000113T160 I162 K168 R169T160-P165 VanDerWaalsContact O-CD 3.25Å; T160-P165 WeakPolarHBondContact O-CD 3.19Å; I162-P165 WeakPolarHBondContact O-CD 3.24Å; P165-K168 PolarHBondContact O-N 3.48Å; P165-R169 WeakPolarHBondContact O-CG 3.24Å; P165-R169 PolarHBondContact O-N 3.43Å
166F98.4Very high97.7Very high1 Ų156.9 Ų56.90%0.00428%0.282CS..Hα-helixtrans-63.5-52.1178.4-172.6-93.7000112.1L79 L80 E83 L87 L98 I162 V163 L164 K168 R169 H170 W174L79-F166 HydrophobicContact CD2-CZ 4.12Å; L79-F166 HydrophobicContact CG-CZ 4.13Å; L80-F166 HydrophobicContact CD2-CE1 4.3Å; L80-F166 HydrophobicContact CD2-CZ 4.26Å; E83-F166 HydrophobicContact CB-CE2 3.76Å; E83-F166 HydrophobicContact CB-CZ 4.49Å; E83-F166 HydrophobicContact CG-CE2 4Å; L87-F166 HydrophobicContact CD1-CE2 4.35Å; L87-F166 HydrophobicContact CD1-CZ 4.41Å; L87-F166 HydrophobicContact CD2-CB 4.44Å; L87-F166 HydrophobicContact CD2-CD1 4.43Å; L87-F166 HydrophobicContact CD2-CD2 3.56Å; L87-F166 HydrophobicContact CD2-CE2 3.82Å; L87-F166 HydrophobicContact CD2-CG 3.9Å; L87-F166 HydrophobicContact CD2-CZ 4.34Å; L87-F166 HydrophobicContact CG-CE2 4.36Å; L98-F166 HydrophobicContact CD1-CD1 3.63Å; L98-F166 HydrophobicContact CD1-CE1 3.74Å; L98-F166 HydrophobicContact CD1-CG 4.22Å; L98-F166 HydrophobicContact CD1-CZ 4.44Å; L98-F166 HydrophobicContact CD2-CD1 3.81Å; L98-F166 HydrophobicContact CD2-CE1 4.27Å; L98-F166 HydrophobicContact CG-CD1 4.39Å; I162-F166 VanDerWaalsContact O-CB 3.28Å; I162-F166 WeakPolarHBondContact O-CB 3.49Å; I162-F166 PolarHBondContact O-N 2.89Å; V163-F166 WeakPolarHBondContact O-CB 3.47Å; V163-F166 PolarHBondContact O-N 2.93Å; V163-F166 VanDerWaalsContact O-N 3.12Å; L164-F166 VanDerWaalsContact C-N 3.33Å; F166-K168 VanDerWaalsContact C-N 3.26Å; F166-K168 PolarHBondContact O-N 3.48Å; F166-R169 WeakPolarHBondContact O-CB 3.26Å; F166-R169 PolarHBondContact O-N 3.38Å; F166-H170 AromaticContact CE1-CD2 3.94Å; F166-H170 AromaticContact CE2-CD2 3.89Å; F166-H170 AromaticContact CE2-NE2 3.94Å; F166-H170 AromaticContact CZ-CD2 3.79Å; F166-H170 PolarHBondContact O-CD2 3.08Å; F166-H170 VanDerWaalsContact O-CD2 3.3Å; F166-H170 PolarHBondContact O-N 2.94Å; F166-W174 HydrophobicContact CD1-CE3 4.49Å; F166-W174 HydrophobicContact CD1-CZ3 4.17Å; F166-W174 HydrophobicContact CE1-CE3 4.22Å; F166-W174 AromaticContact CE1-CH2 3.61Å; F166-W174 HydrophobicContact CE1-CH2 3.61Å; F166-W174 HydrophobicContact CE1-CZ2 4.41Å; F166-W174 AromaticContact CE1-CZ3 3.48Å; F166-W174 HydrophobicContact CE1-CZ3 3.48Å; F166-W174 VanDerWaalsContact CE1-CZ3 3.48Å; F166-W174 HydrophobicContact CZ-CH2 4.42Å; F166-W174 HydrophobicContact CZ-CZ3 4.34Å
167I97.8Very high97.7Very high0 Ų059.4 Ų59.40%030%0.298CS..Hα-helixtrans-62.2-33.2178.966.7179000112.2L98 V163 L164 R169 H170 W174 P176 H179L98-I167 HydrophobicContact CD2-CG2 3.96Å; V163-I167 HydrophobicContact CG1-CG2 4.26Å; V163-I167 WeakPolarHBondContact O-CG1 3.48Å; V163-I167 WeakPolarHBondContact O-CG2 3.46Å; V163-I167 PolarHBondContact O-N 2.83Å; L164-I167 HydrophobicContact CD1-CD1 3.84Å; L164-I167 HydrophobicContact CD1-CG1 4.15Å; L164-I167 VanDerWaalsContact O-CG1 3.25Å; L164-I167 WeakPolarHBondContact O-CG1 3.31Å; I167-R169 VanDerWaalsContact C-N 3.32Å; I167-R169 PolarHBondContact O-N 3.32Å; I167-H170 CarbonylContact O-C 3.32Å; I167-H170 VanDerWaalsContact O-C 3.32Å; I167-H170 PolarHBondContact O-N 3.42Å; I167-W174 HydrophobicContact CB-CB 3.65Å; I167-W174 HydrophobicContact CB-CG 4.27Å; I167-W174 HydrophobicContact CG2-CB 3.66Å; I167-W174 HydrophobicContact CG2-CD2 4.16Å; I167-W174 HydrophobicContact CG2-CG 3.76Å; I167-P176 HydrophobicContact CD1-CB 4.2Å; I167-P176 HydrophobicContact CD1-CG 4.29Å; I167-P176 HydrophobicContact CG1-CG 4.29Å; I167-H179 HydrophobicContact CD1-CB 4.15Å; I167-H179 WeakPolarHBondContact CD1-O 3.41Å
168K97.9Very high97.6Very high130 Ų13057 Ų5757%0.56530%0.297SS*.Hα-helixtrans-68-29.4175.4-79174.6176.8171.80113.1L164 P165 F166 H170 P176L164-K168 HydrophobicContact CD1-CD 4.26Å; L164-K168 HydrophobicContact CD1-CG 4.35Å; L164-K168 HydrophobicContact CG-CD 4.28Å; L164-K168 WeakPolarHBondContact O-CB 3.49Å; L164-K168 VanDerWaalsContact O-CG 3.27Å; L164-K168 WeakPolarHBondContact O-CG 3.41Å; L164-K168 PolarHBondContact O-N 3.17Å; L164-K168 VanDerWaalsContact O-N 3.13Å; P165-K168 PolarHBondContact O-N 3.48Å; F166-K168 VanDerWaalsContact C-N 3.26Å; F166-K168 PolarHBondContact O-N 3.48Å; K168-H170 VanDerWaalsContact C-N 3.31Å; K168-P176 HydrophobicContact CG-CG 4.06Å
169R97.7Very high97.6Very high128 Ų12856.9 Ų56.948%0.48330%0.296SS..Hα-helixtrans-76-20.3174.1-73.2-171.3-69.8147.4-5.6112.7E83 P165 F166 I167 P171E83-R169 IonicContact OE2-CZ 3.9Å; E83-R169 IonicContact OE2-NH1 3.01Å; E83-R169 PolarHBondContact OE2-NH1 3.2Å; E83-R169 IonicContact OE2-NH2 3.9Å; P165-R169 WeakPolarHBondContact O-CG 3.24Å; P165-R169 PolarHBondContact O-N 3.43Å; F166-R169 WeakPolarHBondContact O-CB 3.26Å; F166-R169 PolarHBondContact O-N 3.38Å; I167-R169 VanDerWaalsContact C-N 3.32Å; I167-R169 PolarHBondContact O-N 3.32Å; R169-P171 WeakPolarHBondContact O-CD 3.34Å
170H97.5Very high97.5Very high26 Ų2658.2 Ų58.212%0.1231%0.306CS..  trans-125.456-175.3-62.6-66.5000112.9L79 F166 I167 K168 E172 L173 W174L79-H170 HydrophobicContact CD2-CB 4.5Å; F166-H170 AromaticContact CE1-CD2 3.94Å; F166-H170 AromaticContact CE2-CD2 3.89Å; F166-H170 AromaticContact CE2-NE2 3.94Å; F166-H170 AromaticContact CZ-CD2 3.79Å; F166-H170 PolarHBondContact O-CD2 3.08Å; F166-H170 VanDerWaalsContact O-CD2 3.3Å; F166-H170 PolarHBondContact O-N 2.94Å; I167-H170 CarbonylContact O-C 3.32Å; I167-H170 VanDerWaalsContact O-C 3.32Å; I167-H170 PolarHBondContact O-N 3.42Å; K168-H170 VanDerWaalsContact C-N 3.31Å; H170-E172 WeakPolarHBondContact CA-OE2 3.25Å; H170-E172 IonicContact CG-OE1 3.97Å; H170-E172 IonicContact ND1-OE1 3.44Å; H170-E172 PolarHBondContact ND1-OE1 2.97Å; H170-E172 PolarHBondContact O-N 3.48Å; H170-E172 VanDerWaalsContact O-N 3.13Å; H170-L173 PolarHBondContact O-N 2.66Å; H170-W174 HydrophobicContact CB-CE3 3.67Å; H170-W174 HydrophobicContact CB-CZ3 3.7Å; H170-W174 PolarHBondContact O-N 2.78Å
171P96.9Very high97.5Very high91 Ų9157.7 Ų57.759%0.59130%0.301SS*.THydrogen-bonded Turntrans-64.8-16.8-175.129.5-37.3000114.2R169 L173 W174R169-P171 WeakPolarHBondContact O-CD 3.34Å; P171-L173 VanDerWaalsContact C-N 3.29Å; P171-W174 WeakPolarHBondContact CA-O 3.34Å
172E95.9Very high97.5Very high131 Ų13158.8 Ų58.861%0.61230%0.303SS*.THydrogen-bonded Turntrans-72.5-21.1174.872.4-67.8167.300113.6H170H170-E172 WeakPolarHBondContact CA-OE2 3.25Å; H170-E172 IonicContact CG-OE1 3.97Å; H170-E172 IonicContact ND1-OE1 3.44Å; H170-E172 PolarHBondContact ND1-OE1 2.97Å; H170-E172 PolarHBondContact O-N 3.48Å; H170-E172 VanDerWaalsContact O-N 3.13Å
173L96.8Very high97.4Very high48 Ų4858.4 Ų58.425%0.25130%0.301SS..THydrogen-bonded Turntrans-108.5-38.2178.6-63.6175.1000111.7V76 L79 Y102 H170 P171V76-L173 HydrophobicContact CG1-CD1 3.86Å; V76-L173 HydrophobicContact CG1-CD2 4.02Å; V76-L173 HydrophobicContact CG1-CG 4.39Å; L79-L173 HydrophobicContact CD2-CD1 3.46Å; L79-L173 VanDerWaalsContact CD2-CD1 3.46Å; Y102-L173 HydrophobicContact CD2-CB 4.2Å; Y102-L173 HydrophobicContact CD2-CD2 4.41Å; Y102-L173 HydrophobicContact CE2-CB 4.2Å; Y102-L173 HydrophobicContact CE2-CD2 3.69Å; H170-L173 PolarHBondContact O-N 2.66Å; P171-L173 VanDerWaalsContact C-N 3.29Å
174W97.8Very high97.4Very high1 Ų158.4 Ų58.40%0.00430%0.301CS..  trans-129.2133.8-177.1-61.5-84.1000112.8V76 L79 L98 F166 I167 H170 P171 H179V76-W174 HydrophobicContact CB-CH2 4.2Å; V76-W174 HydrophobicContact CB-CZ2 4.33Å; V76-W174 HydrophobicContact CG1-CH2 4.22Å; V76-W174 HydrophobicContact CG1-CZ2 4.25Å; V76-W174 HydrophobicContact CG2-CH2 4.34Å; V76-W174 HydrophobicContact CG2-CZ2 4.04Å; L79-W174 HydrophobicContact CD2-CH2 4.06Å; L79-W174 HydrophobicContact CD2-CZ3 3.83Å; L98-W174 HydrophobicContact CB-CZ2 4.32Å; L98-W174 HydrophobicContact CD2-CZ2 4.45Å; L98-W174 PolarHBondContact O-NE1 3.43Å; F166-W174 HydrophobicContact CD1-CE3 4.49Å; F166-W174 HydrophobicContact CD1-CZ3 4.17Å; F166-W174 HydrophobicContact CE1-CE3 4.22Å; F166-W174 AromaticContact CE1-CH2 3.61Å; F166-W174 HydrophobicContact CE1-CH2 3.61Å; F166-W174 HydrophobicContact CE1-CZ2 4.41Å; F166-W174 AromaticContact CE1-CZ3 3.48Å; F166-W174 HydrophobicContact CE1-CZ3 3.48Å; F166-W174 VanDerWaalsContact CE1-CZ3 3.48Å; F166-W174 HydrophobicContact CZ-CH2 4.42Å; F166-W174 HydrophobicContact CZ-CZ3 4.34Å; I167-W174 HydrophobicContact CB-CB 3.65Å; I167-W174 HydrophobicContact CB-CG 4.27Å; I167-W174 HydrophobicContact CG2-CB 3.66Å; I167-W174 HydrophobicContact CG2-CD2 4.16Å; I167-W174 HydrophobicContact CG2-CG 3.76Å; H170-W174 HydrophobicContact CB-CE3 3.67Å; H170-W174 HydrophobicContact CB-CZ3 3.7Å; H170-W174 PolarHBondContact O-N 2.78Å; P171-W174 WeakPolarHBondContact CA-O 3.34Å; W174-H179 AromaticContact CD1-CD2 3.78Å; W174-H179 AromaticContact CD1-CE1 3.85Å; W174-H179 AromaticContact CD1-CG 3.97Å; W174-H179 AromaticContact CD1-NE2 3.67Å
175N96.6Very high97.4Very high73 Ų7357.7 Ų57.739%0.3930%0.298SS..  trans-98.8119.2171.6-177.6-12.4000111.5N177 T178 H179N175-N177 PolarHBondContact O-N 2.79Å; N175-N177 VanDerWaalsContact O-N 3.13Å; N175-N177 WeakPolarHBondContact OD1-CB 3.48Å; N175-N177 PolarHBondContact OD1-N 3.04Å; N175-N177 PolarHBondContact OD1-ND2 3.17Å; N175-T178 PolarHBondContact O-N 2.68Å; N175-H179 PolarHBondContact N-CE1 3.49Å; N175-H179 VanDerWaalsContact N-CE1 3.35Å; N175-H179 PolarHBondContact N-ND1 3.4Å; N175-H179 PolarHBondContact O-N 2.87Å; N175-H179 PolarHBondContact O-ND1 3.44Å
176P96.3Very high97.3Very high43 Ų4356.6 Ų56.628%0.27929%0.288SS..THydrogen-bonded Turntrans-61.6-18.4178.4-24.734.2000115.7L164 I167 K168 T178L164-P176 HydrophobicContact CD1-CB 4.35Å; I167-P176 HydrophobicContact CD1-CB 4.2Å; I167-P176 HydrophobicContact CD1-CG 4.29Å; I167-P176 HydrophobicContact CG1-CG 4.29Å; K168-P176 HydrophobicContact CG-CG 4.06Å; P176-T178 VanDerWaalsContact C-N 3.34Å
177N96.8Very high97.3Very high142 Ų14256.5 Ų56.576%0.75929%0.288SS*.THydrogen-bonded Turntrans-81.1-17.7175-61.1-52.3000112.7N175N175-N177 PolarHBondContact O-N 2.79Å; N175-N177 VanDerWaalsContact O-N 3.13Å; N175-N177 WeakPolarHBondContact OD1-CB 3.48Å; N175-N177 PolarHBondContact OD1-N 3.04Å; N175-N177 PolarHBondContact OD1-ND2 3.17Å
178T96.3Very high97.3Very high69 Ų6957 Ų5742%0.42329%0.29SS..THydrogen-bonded Turntrans-103.2-45.7177.9-54.60000110.5T105 N175 P176 T180 L183T105-T178 HydrophobicContact CG2-CG2 3.99Å; N175-T178 PolarHBondContact O-N 2.68Å; P176-T178 VanDerWaalsContact C-N 3.34Å; T178-T180 VanDerWaalsContact C-N 3.29Å; T178-T180 PolarHBondContact O-N 2.72Å; T178-T180 VanDerWaalsContact O-N 3.08Å; T178-L183 WeakPolarHBondContact O-CD2 3.24Å
179H97.8Very high97.3Very high5 Ų550.8 Ų50.82%0.02326%0.263CS..SBendtrans-87.370.9179.3-52.995.7000109.5L101 T105 Y159 I167 W174 N175L101-H179 HydrophobicContact CD2-CB 4.1Å; L101-H179 PolarHBondContact O-CD2 3.44Å; L101-H179 PolarHBondContact O-NE2 3.4Å; L101-H179 VanDerWaalsContact O-NE2 3.13Å; T105-H179 PolarHBondContact OG1-NE2 3.13Å; Y159-H179 PolarHBondContact OH-O 3.07Å; I167-H179 HydrophobicContact CD1-CB 4.15Å; I167-H179 WeakPolarHBondContact CD1-O 3.41Å; W174-H179 AromaticContact CD1-CD2 3.78Å; W174-H179 AromaticContact CD1-CE1 3.85Å; W174-H179 AromaticContact CD1-CG 3.97Å; W174-H179 AromaticContact CD1-NE2 3.67Å; N175-H179 PolarHBondContact N-CE1 3.49Å; N175-H179 VanDerWaalsContact N-CE1 3.35Å; N175-H179 PolarHBondContact N-ND1 3.4Å; N175-H179 PolarHBondContact O-N 2.87Å; N175-H179 PolarHBondContact O-ND1 3.44Å
180T98.1Very high97.3Very high46 Ų4644.7 Ų44.728%0.28224%0.241SC..  trans-88.9168.7-176.7660000111.6Y159 T178 E182 L183 Y184Y159-T180 WeakPolarHBondContact OH-CA 3.41Å; T178-T180 VanDerWaalsContact C-N 3.29Å; T178-T180 PolarHBondContact O-N 2.72Å; T178-T180 VanDerWaalsContact O-N 3.08Å; T180-E182 PolarHBondContact O-N 2.81Å; T180-E182 PolarHBondContact OG1-N 3.21Å; T180-L183 PolarHBondContact O-N 3.44Å; T180-L183 PolarHBondContact OG1-N 2.88Å; T180-Y184 PolarHBondContact O-N 3.19Å
181L98.2Very high97.3Very high49 Ų4943.5 Ų43.526%0.25724%0.235SC..Hα-helixtrans-56.7-36.6171174.565.8000112I155 Y159 Y184 T185I155-L181 HydrophobicContact CG2-CD1 4.3Å; Y159-L181 HydrophobicContact CD1-CB 3.74Å; Y159-L181 HydrophobicContact CD1-CD1 3.81Å; Y159-L181 HydrophobicContact CD1-CG 4.31Å; Y159-L181 HydrophobicContact CD2-CD1 4.47Å; Y159-L181 HydrophobicContact CE1-CB 3.74Å; Y159-L181 HydrophobicContact CG-CB 4.17Å; Y159-L181 HydrophobicContact CG-CD1 3.7Å; Y159-L181 PolarHBondContact OH-N 2.92Å; L181-Y184 PolarHBondContact O-N 2.91Å; L181-T185 WeakPolarHBondContact O-CB 3.46Å; L181-T185 PolarHBondContact O-N 3.47Å; L181-T185 PolarHBondContact O-OG1 3.26Å
182E97Very high97.2Very high130 Ų13039.6 Ų39.661%0.60721%0.209SC*.Hα-helixtrans-62.5-49178.3-176.5-177172.900110.9T180 Y184 T185 Q186T180-E182 PolarHBondContact O-N 2.81Å; T180-E182 PolarHBondContact OG1-N 3.21Å; E182-Y184 VanDerWaalsContact C-N 3.34Å; E182-Y184 PolarHBondContact O-N 3.19Å; E182-T185 PolarHBondContact O-N 3.1Å; E182-Q186 WeakPolarHBondContact O-CG 3.32Å; E182-Q186 PolarHBondContact O-N 3.5Å
183L97.2Very high97.2Very high24 Ų2433.8 Ų33.813%0.12618%0.183CC..Hα-helixtrans-64.6-39.9176.6-179.859.3000111.5L101 T105 F121 T178 T180 T185 Q186 L187L101-L183 HydrophobicContact CD2-CD2 3.77Å; L101-L183 HydrophobicContact CD2-CG 3.85Å; T105-L183 HydrophobicContact CG2-CD2 4.27Å; F121-L183 HydrophobicContact CD2-CD1 4Å; F121-L183 HydrophobicContact CE2-CD1 3.59Å; T178-L183 WeakPolarHBondContact O-CD2 3.24Å; T180-L183 PolarHBondContact O-N 3.44Å; T180-L183 PolarHBondContact OG1-N 2.88Å; L183-T185 PolarHBondContact O-N 2.91Å; L183-Q186 WeakPolarHBondContact O-CB 3.35Å; L183-Q186 PolarHBondContact O-N 2.96Å; L183-L187 HydrophobicContact CD1-CG 4.39Å; L183-L187 HydrophobicContact CG-CD1 4.33Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 3.41Å
184Y98.1Very high97.2Very high0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-60.1-45.5175.5-174.8-104.1000111.5L97 L101 I155 E158 Y159 V163 T180 L181 E182 Q186 L187 V188L97-Y184 HydrophobicContact CB-CD2 4.27Å; L97-Y184 HydrophobicContact CB-CE2 3.61Å; L97-Y184 HydrophobicContact CD1-CE1 4.48Å; L97-Y184 HydrophobicContact CD1-CE2 3.63Å; L97-Y184 VanDerWaalsContact CD1-OH 3.28Å; L97-Y184 WeakPolarHBondContact CD1-OH 3.41Å; L97-Y184 HydrophobicContact CG-CE2 4.14Å; L101-Y184 HydrophobicContact CD1-CD2 4.14Å; I155-Y184 HydrophobicContact CG2-CD1 3.76Å; I155-Y184 HydrophobicContact CG2-CE1 3.98Å; E158-Y184 HydrophobicContact CB-CE1 4.4Å; E158-Y184 PolarHBondContact OE2-OH 3.43Å; Y159-Y184 HydrophobicContact CD2-CD1 4.05Å; Y159-Y184 HydrophobicContact CD2-CD2 4.32Å; Y159-Y184 AromaticContact CD2-CG 3.76Å; Y159-Y184 HydrophobicContact CD2-CG 3.76Å; Y159-Y184 HydrophobicContact CG-CD1 4.37Å; V163-Y184 HydrophobicContact CB-CE2 4.49Å; V163-Y184 HydrophobicContact CG1-CD2 4.26Å; V163-Y184 HydrophobicContact CG1-CE2 4.31Å; V163-Y184 HydrophobicContact CG2-CD2 4.27Å; V163-Y184 HydrophobicContact CG2-CE2 3.59Å; T180-Y184 PolarHBondContact O-N 3.19Å; L181-Y184 PolarHBondContact O-N 2.91Å; E182-Y184 VanDerWaalsContact C-N 3.34Å; E182-Y184 PolarHBondContact O-N 3.19Å; Y184-Q186 VanDerWaalsContact C-N 3.32Å; Y184-Q186 PolarHBondContact O-N 3.23Å; Y184-L187 PolarHBondContact O-N 3.25Å; Y184-V188 HydrophobicContact CD1-CG2 4.21Å; Y184-V188 HydrophobicContact CE1-CG2 3.94Å; Y184-V188 WeakPolarHBondContact O-CG2 3.35Å; Y184-V188 PolarHBondContact O-N 2.89Å
185T97.8Very high97.1Very high21 Ų2135.6 Ų35.613%0.12919%0.191CC..Hα-helixtrans-62-40.1177-52.50000111.5M128 F129 I155 L181 E182 L183 V188 A189M128-T185 HydrophobicContact CE-CG2 3.57Å; F129-T185 HydrophobicContact CE1-CG2 4Å; I155-T185 HydrophobicContact CD1-CG2 4.42Å; I155-T185 HydrophobicContact CG2-CG2 4.43Å; L181-T185 WeakPolarHBondContact O-CB 3.46Å; L181-T185 PolarHBondContact O-N 3.47Å; L181-T185 PolarHBondContact O-OG1 3.26Å; E182-T185 PolarHBondContact O-N 3.1Å; L183-T185 PolarHBondContact O-N 2.91Å; T185-V188 PolarHBondContact O-N 3.36Å; T185-A189 PolarHBondContact O-N 3.39Å
186Q97.5Very high97.1Very high30 Ų3033.5 Ų33.514%0.1418%0.178CC..Hα-helixtrans-63.2-41.7174.8-73.8168.9-6.600112.2F121 F129 E182 L183 Y184 A189 F190F121-Q186 HydrophobicContact CB-CB 3.87Å; F121-Q186 HydrophobicContact CB-CG 3.81Å; F121-Q186 HydrophobicContact CD1-CB 4.33Å; F121-Q186 HydrophobicContact CD2-CB 4.04Å; F121-Q186 HydrophobicContact CG-CB 3.84Å; F121-Q186 HydrophobicContact CG-CG 4.31Å; F129-Q186 HydrophobicContact CZ-CG 4.5Å; E182-Q186 WeakPolarHBondContact O-CG 3.32Å; E182-Q186 PolarHBondContact O-N 3.5Å; L183-Q186 WeakPolarHBondContact O-CB 3.35Å; L183-Q186 PolarHBondContact O-N 2.96Å; Y184-Q186 VanDerWaalsContact C-N 3.32Å; Y184-Q186 PolarHBondContact O-N 3.23Å; Q186-A189 PolarHBondContact O-N 3.23Å; Q186-F190 WeakPolarHBondContact O-CB 3.4Å; Q186-F190 PolarHBondContact O-N 2.93Å
187L97.8Very high97Very high0 Ų036.2 Ų36.20%019%0.187CC..Hα-helixtrans-70.2-33.6176.5-72.1175.1000112.6L97 L100 L101 W118 F121 L183 Y184 F190 V191L97-L187 HydrophobicContact CD2-CB 3.86Å; L100-L187 HydrophobicContact CB-CD1 4.11Å; L100-L187 HydrophobicContact CB-CD2 4.13Å; L101-L187 HydrophobicContact CB-CD1 4.35Å; L101-L187 HydrophobicContact CD2-CD1 3.5Å; L101-L187 VanDerWaalsContact CD2-CD1 3.5Å; L101-L187 HydrophobicContact CG-CD1 3.63Å; W118-L187 HydrophobicContact CH2-CD2 4.29Å; W118-L187 HydrophobicContact CZ3-CD2 3.78Å; F121-L187 HydrophobicContact CE1-CD2 4.13Å; F121-L187 HydrophobicContact CE2-CD2 4.39Å; F121-L187 HydrophobicContact CZ-CD2 3.61Å; F121-L187 HydrophobicContact CZ-CG 4.44Å; L183-L187 HydrophobicContact CD1-CG 4.39Å; L183-L187 HydrophobicContact CG-CD1 4.33Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 3.41Å; Y184-L187 PolarHBondContact O-N 3.25Å; L187-F190 WeakPolarHBondContact O-CB 3.37Å; L187-F190 PolarHBondContact O-N 3.34Å; L187-V191 WeakPolarHBondContact O-CG2 3.48Å; L187-V191 PolarHBondContact O-N 3.19Å
188V97.9Very high96.8Very high9 Ų931.2 Ų31.26%0.05516%0.159CC..Hα-helixtrans-60.9-49.5171.3172.50000110W93 L97 I155 Y184 T185 F190 V191 M192W93-V188 HydrophobicContact CZ3-CG1 4.42Å; L97-V188 HydrophobicContact CD1-CG2 3.65Å; L97-V188 HydrophobicContact CD2-CG2 3.96Å; L97-V188 HydrophobicContact CG-CG2 4.49Å; I155-V188 HydrophobicContact CD1-CB 4.05Å; I155-V188 HydrophobicContact CD1-CG1 3.61Å; I155-V188 HydrophobicContact CD1-CG2 4.36Å; I155-V188 HydrophobicContact CG1-CB 4.36Å; I155-V188 HydrophobicContact CG1-CG1 3.96Å; I155-V188 HydrophobicContact CG1-CG2 4.14Å; Y184-V188 HydrophobicContact CD1-CG2 4.21Å; Y184-V188 HydrophobicContact CE1-CG2 3.94Å; Y184-V188 WeakPolarHBondContact O-CG2 3.35Å; Y184-V188 PolarHBondContact O-N 2.89Å; T185-V188 PolarHBondContact O-N 3.36Å; V188-F190 PolarHBondContact O-N 3.5Å; V188-V191 PolarHBondContact O-N 3.34Å; V188-M192 WeakPolarHBondContact O-CG 3.5Å; V188-M192 PolarHBondContact O-N 3.14Å
189A97.3Very high96.4Very high0 Ų032.2 Ų32.20%017%0.167CC..Hα-helixtrans-60.4-34.4174.900000113.1L124 H126 M128 F129 T185 Q186 M192 A193L124-A189 HydrophobicContact CD1-CB 3.98Å; H126-A189 PolarHBondContact CE1-O 2.96Å; H126-A189 PolarHBondContact NE2-O 3.18Å; M128-A189 HydrophobicContact SD-CB 3.82Å; F129-A189 HydrophobicContact CE2-CB 3.53Å; F129-A189 HydrophobicContact CZ-CB 3.51Å; T185-A189 PolarHBondContact O-N 3.39Å; Q186-A189 PolarHBondContact O-N 3.23Å; A189-M192 HydrophobicContact CB-CE 4.12Å; A189-A193 WeakPolarHBondContact O-CB 3.3Å; A189-A193 PolarHBondContact O-N 3.18Å
190F97.1Very high95.6Very high1 Ų135.7 Ų35.70%0.00418%0.183CC..Hα-helixtrans-66.9-45.5174.8-159.7-87.6000112W118 P119 F121 L124 Q186 L187 V188 A193 Y194 M219W118-F190 HydrophobicContact CB-CE2 4Å; W118-F190 HydrophobicContact CB-CZ 3.99Å; W118-F190 AromaticContact CD1-CZ 3.45Å; W118-F190 VanDerWaalsContact CD1-CZ 3.45Å; W118-F190 HydrophobicContact CD2-CD1 4.31Å; W118-F190 AromaticContact CD2-CE1 3.58Å; W118-F190 HydrophobicContact CD2-CE1 3.58Å; W118-F190 AromaticContact CD2-CE2 3.86Å; W118-F190 HydrophobicContact CD2-CE2 3.86Å; W118-F190 AromaticContact CD2-CZ 3.33Å; W118-F190 HydrophobicContact CD2-CZ 3.33Å; W118-F190 AromaticContact CE2-CE1 3.21Å; W118-F190 AromaticContact CE2-CZ 3.39Å; W118-F190 HydrophobicContact CE3-CD1 4.34Å; W118-F190 HydrophobicContact CE3-CD2 4.44Å; W118-F190 HydrophobicContact CE3-CE1 4.06Å; W118-F190 HydrophobicContact CE3-CE2 4.15Å; W118-F190 AromaticContact CE3-CZ 3.97Å; W118-F190 HydrophobicContact CE3-CZ 3.97Å; W118-F190 HydrophobicContact CG-CE1 4.06Å; W118-F190 AromaticContact CG-CE2 3.84Å; W118-F190 HydrophobicContact CG-CE2 3.84Å; W118-F190 AromaticContact CG-CZ 3.35Å; W118-F190 HydrophobicContact CG-CZ 3.35Å; W118-F190 AromaticContact CH2-CD1 3.92Å; W118-F190 HydrophobicContact CH2-CD1 3.92Å; W118-F190 AromaticContact CH2-CE1 3.89Å; W118-F190 HydrophobicContact CH2-CE1 3.89Å; W118-F190 AromaticContact CZ2-CD1 3.87Å; W118-F190 HydrophobicContact CZ2-CD1 3.87Å; W118-F190 AromaticContact CZ2-CE1 3.38Å; W118-F190 HydrophobicContact CZ2-CE1 3.38Å; W118-F190 HydrophobicContact CZ2-CZ 4.06Å; W118-F190 HydrophobicContact CZ3-CD1 4.17Å; W118-F190 HydrophobicContact CZ3-CE1 4.21Å; W118-F190 HydrophobicContact CZ3-CG 4.5Å; W118-F190 AromaticContact NE1-CE1 3.53Å; W118-F190 AromaticContact NE1-CZ 3.45Å; P119-F190 HydrophobicContact CG-CE2 4.01Å; F121-F190 HydrophobicContact CD1-CD2 4.04Å; F121-F190 HydrophobicContact CE1-CB 4.29Å; F121-F190 AromaticContact CE1-CD2 3.69Å; F121-F190 HydrophobicContact CE1-CD2 3.69Å; F121-F190 HydrophobicContact CE1-CE2 4.34Å; F121-F190 HydrophobicContact CE1-CG 4.11Å; L124-F190 HydrophobicContact CD1-CD2 4.44Å; Q186-F190 WeakPolarHBondContact O-CB 3.4Å; Q186-F190 PolarHBondContact O-N 2.93Å; L187-F190 WeakPolarHBondContact O-CB 3.37Å; L187-F190 PolarHBondContact O-N 3.34Å; V188-F190 PolarHBondContact O-N 3.5Å; F190-A193 PolarHBondContact O-N 3.42Å; F190-Y194 HydrophobicContact CD1-CD2 4.13Å; F190-Y194 HydrophobicContact CD1-CG 4.35Å; F190-Y194 AromaticContact CD2-CD2 3.86Å; F190-Y194 HydrophobicContact CD2-CD2 3.86Å; F190-Y194 HydrophobicContact CD2-CE2 4.13Å; F190-Y194 AromaticContact CE1-CD2 3.95Å; F190-Y194 HydrophobicContact CE1-CD2 3.95Å; F190-Y194 AromaticContact CE1-CG 3.84Å; F190-Y194 HydrophobicContact CE1-CG 3.84Å; F190-Y194 AromaticContact CE2-CD2 3.71Å; F190-Y194 HydrophobicContact CE2-CD2 3.71Å; F190-Y194 AromaticContact CE2-CE2 3.87Å; F190-Y194 HydrophobicContact CE2-CE2 3.87Å; F190-Y194 HydrophobicContact CE2-CG 4.21Å; F190-Y194 HydrophobicContact CG-CD2 4.07Å; F190-Y194 HydrophobicContact CZ-CD1 4.22Å; F190-Y194 AromaticContact CZ-CD2 3.73Å; F190-Y194 HydrophobicContact CZ-CD2 3.73Å; F190-Y194 HydrophobicContact CZ-CE2 4.23Å; F190-Y194 AromaticContact CZ-CG 3.76Å; F190-Y194 HydrophobicContact CZ-CG 3.76Å; F190-Y194 WeakPolarHBondContact O-CB 3.48Å; F190-Y194 WeakPolarHBondContact O-CD2 3.32Å; F190-Y194 PolarHBondContact O-N 3.13Å; F190-M219 HydrophobicContact CD1-CE 3.73Å; F190-M219 HydrophobicContact CE1-CE 3.54Å
191V97.3Very high94.2Very high0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-61.7-44.1175.8169.40000110.5W93 L96 L97 L100 L187 V188 A193 S195 P217 M219W93-V191 HydrophobicContact CD2-CG1 4.01Å; W93-V191 HydrophobicContact CE3-CB 4.31Å; W93-V191 HydrophobicContact CE3-CG1 3.61Å; W93-V191 HydrophobicContact CH2-CG1 4.3Å; W93-V191 HydrophobicContact CZ3-CB 4.35Å; W93-V191 HydrophobicContact CZ3-CG1 3.77Å; L96-V191 HydrophobicContact CD2-CG1 3.91Å; L96-V191 HydrophobicContact CD2-CG2 3.8Å; L96-V191 HydrophobicContact CG-CG2 4.41Å; L97-V191 HydrophobicContact CD2-CG2 3.81Å; L100-V191 HydrophobicContact CD1-CG2 3.49Å; L100-V191 VanDerWaalsContact CD1-CG2 3.49Å; L187-V191 WeakPolarHBondContact O-CG2 3.48Å; L187-V191 PolarHBondContact O-N 3.19Å; V188-V191 PolarHBondContact O-N 3.34Å; V191-A193 PolarHBondContact O-N 3.04Å; V191-S195 WeakPolarHBondContact CG1-OG 3.48Å; V191-S195 WeakPolarHBondContact O-CB 3.24Å; V191-S195 PolarHBondContact O-N 2.64Å; V191-S195 PolarHBondContact O-OG 2.98Å; V191-P217 HydrophobicContact CG1-CB 4.4Å; V191-P217 HydrophobicContact CG1-CG 4.2Å; V191-M219 HydrophobicContact CG2-SD 4.32Å
192M96.3Very high92.3Very high9 Ų947.4 Ų47.44%0.04423%0.233CC..Hα-helixtrans-54.6-39.7174.9-70-167.1-65.300112.4W93 M128 V188 A189 M272W93-M192 HydrophobicContact CH2-CG 3.82Å; W93-M192 HydrophobicContact CZ3-CG 3.67Å; M128-M192 HydrophobicContact SD-CE 3.55Å; M128-M192 VanDerWaalsContact SD-CE 3.55Å; V188-M192 WeakPolarHBondContact O-CG 3.5Å; V188-M192 PolarHBondContact O-N 3.14Å; A189-M192 HydrophobicContact CB-CE 4.12Å; M192-M272 CarbonylContact C-O 3.53Å; M192-M272 HydrophobicContact CB-CE 3.81Å; M192-M272 WeakPolarHBondContact CB-O 3.11Å; M192-M272 HydrophobicContact CB-SD 4.36Å; M192-M272 HydrophobicContact CG-CE 3.72Å; M192-M272 HydrophobicContact CG-SD 4.19Å; M192-M272 HydrophobicContact SD-CE 4.02Å; M192-M272 HydrophobicContact SD-SD 3.69Å; M192-M272 VanDerWaalsContact SD-SD 3.69Å
193A95.6Very high90.2Very high9 Ų944.3 Ų44.37%0.07422%0.221CC..Hα-helixtrans-93.2-23.9-172.500000115.4A189 F190 V191 M272 Y273A189-A193 WeakPolarHBondContact O-CB 3.3Å; A189-A193 PolarHBondContact O-N 3.18Å; F190-A193 PolarHBondContact O-N 3.42Å; V191-A193 PolarHBondContact O-N 3.04Å; A193-M272 WeakPolarHBondContact CA-O 3.13Å; A193-M272 PolarHBondContact N-O 3.17Å; A193-Y273 VanDerWaalsContact CA-CD1 3.5Å; A193-Y273 HydrophobicContact CB-CD1 4.06Å; A193-Y273 VanDerWaalsContact O-CD1 3.24Å; A193-Y273 WeakPolarHBondContact O-CD1 3.32Å; A193-Y273 VanDerWaalsContact O-CE1 3.24Å; A193-Y273 WeakPolarHBondContact O-CE1 3.37Å
194Y96.3Very high88.1Confident64 Ų6451.2 Ų51.225%0.25126%0.258SS..Hα-helixtrans-129.8-9.1-167.9-66.9-90.6000114.3P119 L124 F190 D224P119-Y194 HydrophobicContact CG-CE2 4.36Å; L124-Y194 HydrophobicContact CD2-CE2 4.08Å; F190-Y194 HydrophobicContact CD1-CD2 4.13Å; F190-Y194 HydrophobicContact CD1-CG 4.35Å; F190-Y194 AromaticContact CD2-CD2 3.86Å; F190-Y194 HydrophobicContact CD2-CD2 3.86Å; F190-Y194 HydrophobicContact CD2-CE2 4.13Å; F190-Y194 AromaticContact CE1-CD2 3.95Å; F190-Y194 HydrophobicContact CE1-CD2 3.95Å; F190-Y194 AromaticContact CE1-CG 3.84Å; F190-Y194 HydrophobicContact CE1-CG 3.84Å; F190-Y194 AromaticContact CE2-CD2 3.71Å; F190-Y194 HydrophobicContact CE2-CD2 3.71Å; F190-Y194 AromaticContact CE2-CE2 3.87Å; F190-Y194 HydrophobicContact CE2-CE2 3.87Å; F190-Y194 HydrophobicContact CE2-CG 4.21Å; F190-Y194 HydrophobicContact CG-CD2 4.07Å; F190-Y194 HydrophobicContact CZ-CD1 4.22Å; F190-Y194 AromaticContact CZ-CD2 3.73Å; F190-Y194 HydrophobicContact CZ-CD2 3.73Å; F190-Y194 HydrophobicContact CZ-CE2 4.23Å; F190-Y194 AromaticContact CZ-CG 3.76Å; F190-Y194 HydrophobicContact CZ-CG 3.76Å; F190-Y194 WeakPolarHBondContact O-CB 3.48Å; F190-Y194 WeakPolarHBondContact O-CD2 3.32Å; F190-Y194 PolarHBondContact O-N 3.13Å; Y194-D224 HydrophobicContact CD1-CB 4.19Å
195S96.9Very high85.9Confident23 Ų2357.4 Ų57.416%0.16129%0.291CS..EExtended strand (participates in β ladder)trans-81.9157.3176.577.10000111.8V191 P217 M218V191-S195 WeakPolarHBondContact CG1-OG 3.48Å; V191-S195 WeakPolarHBondContact O-CB 3.24Å; V191-S195 PolarHBondContact O-N 2.64Å; V191-S195 PolarHBondContact O-OG 2.98Å; S195-P217 WeakPolarHBondContact OG-CB 3.27Å; S195-M218 CarbonylContact C-O 3.5Å; S195-M218 WeakPolarHBondContact CA-O 3.45Å
196F96.4Very high83.7Confident29 Ų2964.8 Ų64.813%0.12732%0.324CS..EExtended strand (participates in β ladder)trans-117.2147173.2-69.7-104.4000108.9P217 M218 V220 A223 D224 L236F196-P217 CarbonylContact O-C 3.58Å; F196-P217 VanDerWaalsContact O-CA 3.31Å; F196-P217 WeakPolarHBondContact O-CA 3.36Å; F196-M218 PolarHBondContact N-O 3.24Å; F196-M218 PolarHBondContact O-N 3.15Å; F196-V220 HydrophobicContact CB-CG2 3.66Å; F196-V220 HydrophobicContact CD2-CB 3.65Å; F196-V220 HydrophobicContact CD2-CG2 3.49Å; F196-V220 VanDerWaalsContact CD2-CG2 3.49Å; F196-V220 HydrophobicContact CE2-CB 4.03Å; F196-V220 HydrophobicContact CE2-CG2 4.35Å; F196-V220 HydrophobicContact CG-CB 4.26Å; F196-V220 HydrophobicContact CG-CG2 3.7Å; F196-A223 HydrophobicContact CE1-CB 4.48Å; F196-A223 HydrophobicContact CE2-CB 4.09Å; F196-A223 HydrophobicContact CZ-CB 3.85Å; F196-D224 HydrophobicContact CE2-CB 3.94Å; F196-L236 HydrophobicContact CD1-CD2 3.45Å; F196-L236 VanDerWaalsContact CD1-CD2 3.45Å; F196-L236 HydrophobicContact CE1-CD2 3.65Å; F196-L236 HydrophobicContact CG-CD2 4.1Å; F196-L236 HydrophobicContact CZ-CD2 4.45Å
197Q93.9Very high81.4Confident100 Ų10071 Ų7147%0.46736%0.358SS..  trans-116.7123.3172.8-166.8168.720.300107.8N215Q197-N215 WeakPolarHBondContact CG-O 3.36Å; Q197-N215 PolarHBondContact NE2-O 3.34Å
198E92Very high79.1Confident38 Ų3875.5 Ų75.518%0.17838%0.382CS..PPolyproline II helixtrans-74.7127.4176.3179.4160.6-158.300108.9R65 N215 M218 F238R65-E198 IonicContact CZ-OE1 3.54Å; R65-E198 IonicContact CZ-OE2 3.56Å; R65-E198 IonicContact NH1-OE1 3.5Å; R65-E198 IonicContact NH1-OE2 2.74Å; R65-E198 PolarHBondContact NH1-OE2 2.9Å; R65-E198 IonicContact NH2-OE1 2.67Å; R65-E198 PolarHBondContact NH2-OE1 3.16Å; R65-E198 IonicContact NH2-OE2 3.46Å; R65-E198 PolarHBondContact NH2-OE2 3.4Å; E198-N215 WeakPolarHBondContact O-CB 3.11Å; E198-N215 PolarHBondContact O-ND2 3.32Å; E198-M218 HydrophobicContact CB-CE 3.52Å; E198-F238 HydrophobicContact CB-CD1 3.79Å; E198-F238 HydrophobicContact CB-CE1 3.61Å; E198-F238 HydrophobicContact CB-CG 4.42Å; E198-F238 HydrophobicContact CB-CZ 4.12Å; E198-F238 HydrophobicContact CG-CB 4.25Å; E198-F238 HydrophobicContact CG-CD1 3.51Å; E198-F238 HydrophobicContact CG-CD2 4.42Å; E198-F238 HydrophobicContact CG-CE1 3.91Å; E198-F238 HydrophobicContact CG-CG 3.81Å; E198-F238 WeakPolarHBondContact OE1-CB 3.48Å; E198-F238 WeakPolarHBondContact OE1-CD1 3.3Å
199P87.9Confident76.8Confident90 Ų9079.4 Ų79.458%0.58440%0.4SS*.PPolyproline II helixtrans-53.8148173.5-24.134000110.9N215P199-N215 PolarHBondContact O-ND2 2.94Å
200Q80.4Confident74.4Confident78 Ų7889 Ų8936%0.36445%0.445SS..PPolyproline II helixtrans-70.2146.5168.6-72.2177.9-25.300108.7E202 R212 A213Q200-E202 PolarHBondContact O-N 2.96Å; Q200-R212 PolarHBondContact NE2-O 3.42Å; Q200-A213 PolarHBondContact NE2-O 2.96Å
201E69.5Low72.2Confident161 Ų16196.7 Ų96.775%0.75248%0.481SS*.PPolyproline II helixtrans-67.8124.5168-65.8-177.917300107D203E201-D203 PolarHBondContact O-N 3.1Å; E201-D203 VanDerWaalsContact O-N 3.08Å
202E58Low70.6Confident179 Ų179102.7 Ų102.784%0.83650%0.504SS*.  trans-61.3104.6166.8-67172.2-170.600106.1Q200Q200-E202 PolarHBondContact O-N 2.96Å
203D53.8Low69.3Low65 Ų65106.4 Ų106.435%0.34854%0.536SS..  trans-83.8131.8172.3-87.5-26.7000106.1E201 D205 R212E201-D203 PolarHBondContact O-N 3.1Å; E201-D203 VanDerWaalsContact O-N 3.08Å; D203-D205 PolarHBondContact O-N 3.47Å; D203-R212 IonicContact OD2-CZ 3.28Å; D203-R212 VanDerWaalsContact OD2-CZ 3.28Å; D203-R212 IonicContact OD2-NH1 3.83Å; D203-R212 PolarHBondContact OD2-NH1 3.18Å; D203-R212 IonicContact OD2-NH2 3.02Å; D203-R212 PolarHBondContact OD2-NH2 3.42Å
204D51.3Low68.6Low170 Ų170110.3 Ų110.391%0.90956%0.56SS**SBendtrans-58.61179.4-67.7-38.1000114.8
205D53.1Low68.2Low130 Ų130110 Ų11070%0.69556%0.563SS**  trans-98.384.7177.4-69.9-35.5000109.5D203 D207 D208D203-D205 PolarHBondContact O-N 3.47Å; D205-D207 PolarHBondContact O-N 3.24Å; D205-D208 PolarHBondContact O-N 3.27Å
206E50.9Low67.8Low175 Ų175111.5 Ų111.582%0.81857%0.572SS**THydrogen-bonded Turntrans-53.1-16.8-178.2-67.2173.1-179.500114.9D208E206-D208 PolarHBondContact O-N 3.44Å
207D50.3Low67.8Low160 Ų160110.3 Ų110.386%0.85657%0.567SS**THydrogen-bonded Turntrans-78.1-12.1-173.9-75.8-31000114.8D205D205-D207 PolarHBondContact O-N 3.24Å
208D49.1Very low68Low95 Ų95106.1 Ų106.151%0.50855%0.548SS..SBendtrans-124.20.1-173.1-96.2-18.1000114.8D205 E206D205-D208 PolarHBondContact O-N 3.27Å; E206-D208 PolarHBondContact O-N 3.44Å
209E48.9Very low68.3Low91 Ų91104.3 Ų104.343%0.42554%0.54SS..G310 helixtrans-66.2-42.7-176.2-68.5-159.3149.300113Q211 R212E209-Q211 PolarHBondContact O-N 2.89Å; E209-R212 PolarHBondContact O-N 3.33Å
210E47.9Very low68.7Low202 Ų202100 Ų10094%0.94451%0.512SS*.G310 helixtrans-66.6-12.9-175.9-70.1-175.416000114.5
211Q50.9Low69.6Low163 Ų16396.3 Ų96.376%0.76249%0.494SS*.G310 helixtrans-104.3-5.4-175.9-68.9179.150.700114.4E209 A213E209-Q211 PolarHBondContact O-N 2.89Å; Q211-A213 PolarHBondContact O-N 2.68Å
212R62.4Low70.8Confident126 Ų12688.7 Ų88.748%0.47546%0.459SS..SBendtrans-88.2112.2-177.2-74.1-176.9175.1177.45.2111.5Q200 D203 E209Q200-R212 PolarHBondContact NE2-O 3.42Å; D203-R212 IonicContact OD2-CZ 3.28Å; D203-R212 VanDerWaalsContact OD2-CZ 3.28Å; D203-R212 IonicContact OD2-NH1 3.83Å; D203-R212 PolarHBondContact OD2-NH1 3.18Å; D203-R212 IonicContact OD2-NH2 3.02Å; D203-R212 PolarHBondContact OD2-NH2 3.42Å; E209-R212 PolarHBondContact O-N 3.33Å
213A69.1Low72.7Confident86 Ų8680.1 Ų80.171%0.71142%0.419SS*.PPolyproline II helixtrans-52.5133.317300000111Q200 Q211Q200-A213 PolarHBondContact NE2-O 2.96Å; Q211-A213 PolarHBondContact O-N 2.68Å
214P81Confident74.7Confident91 Ų9177.5 Ų77.559%0.59140%0.404SS*.PPolyproline II helixtrans-62.3152.6-173.929.1-37.5000110.7
215N88.2Confident76.7Confident57 Ų5770.1 Ų70.131%0.30537%0.365SS..PPolyproline II helixtrans-56.6137.7179.3-75.6-38.3000110.1Q197 E198 P199Q197-N215 WeakPolarHBondContact CG-O 3.36Å; Q197-N215 PolarHBondContact NE2-O 3.34Å; E198-N215 WeakPolarHBondContact O-CB 3.11Å; E198-N215 PolarHBondContact O-ND2 3.32Å; P199-N215 PolarHBondContact O-ND2 2.94Å
216P89.7Confident78.7Confident55 Ų5563.9 Ų63.936%0.35733%0.332SS..PPolyproline II helixtrans-66.4147.3178.925.6-32.2000110.9
217P95.5Very high80.8Confident4 Ų456.7 Ų56.73%0.02630%0.299CS..PPolyproline II helixtrans-64.6158.3177.725.3-32.9000112.2W93 L96 V191 S195 F196W93-P217 HydrophobicContact CD2-CG 4.28Å; W93-P217 HydrophobicContact CG-CG 4.01Å; L96-P217 HydrophobicContact CD2-CB 4.01Å; L96-P217 HydrophobicContact CD2-CG 3.76Å; V191-P217 HydrophobicContact CG1-CB 4.4Å; V191-P217 HydrophobicContact CG1-CG 4.2Å; S195-P217 WeakPolarHBondContact OG-CB 3.27Å; F196-P217 CarbonylContact O-C 3.58Å; F196-P217 VanDerWaalsContact O-CA 3.31Å; F196-P217 WeakPolarHBondContact O-CA 3.36Å
218M97.1Very high82.9Confident13 Ų1349.4 Ų49.46%0.06426%0.259CS..EExtended strand (participates in β ladder)trans-141.8150.3177.965.9-165.8106.200111.2L68 H70 S195 F196 E198 V220 F238L68-M218 HydrophobicContact CD1-SD 3.73Å; H70-M218 HydrophobicContact CB-CB 3.88Å; S195-M218 CarbonylContact C-O 3.5Å; S195-M218 WeakPolarHBondContact CA-O 3.45Å; F196-M218 PolarHBondContact N-O 3.24Å; F196-M218 PolarHBondContact O-N 3.15Å; E198-M218 HydrophobicContact CB-CE 3.52Å; M218-V220 HydrophobicContact CG-CG2 3.83Å; M218-F238 HydrophobicContact CE-CE1 4.17Å
219M98.4Very high85.1Confident0 Ų046.4 Ų46.40%025%0.245CC..EExtended strand (participates in β ladder)trans-86.3130.9170.7-45.8-53.4-54.900109L69 L100 Y114 W118 F190 V191 P221L69-M219 HydrophobicContact CB-CB 4.05Å; L69-M219 HydrophobicContact CB-CG 4.47Å; L69-M219 HydrophobicContact CD2-CG 4.4Å; L69-M219 HydrophobicContact CG-CB 4.43Å; L69-M219 HydrophobicContact CG-CG 4.31Å; L69-M219 PolarHBondContact N-O 3.27Å; L69-M219 PolarHBondContact O-N 3.16Å; L100-M219 HydrophobicContact CD1-CG 4.29Å; L100-M219 HydrophobicContact CD1-SD 4.05Å; L100-M219 HydrophobicContact CD2-CG 3.73Å; Y114-M219 HydrophobicContact CE1-CB 4.29Å; W118-M219 HydrophobicContact CZ2-CE 4.39Å; F190-M219 HydrophobicContact CD1-CE 3.73Å; F190-M219 HydrophobicContact CE1-CE 3.54Å; V191-M219 HydrophobicContact CG2-SD 4.32Å; M219-P221 WeakPolarHBondContact O-CD 3.44Å
220V98.1Very high87.1Confident0 Ų042.5 Ų42.50%023%0.227CC..  trans-11890-173.6-172.90000109.1I63 L68 F196 M218 M222 A223 D224 L236 L243I63-V220 HydrophobicContact CD1-CG1 3.49Å; I63-V220 VanDerWaalsContact CD1-CG1 3.49Å; L68-V220 HydrophobicContact CD2-CB 4.27Å; L68-V220 HydrophobicContact CD2-CG1 3.88Å; L68-V220 HydrophobicContact CD2-CG2 4.12Å; F196-V220 HydrophobicContact CB-CG2 3.66Å; F196-V220 HydrophobicContact CD2-CB 3.65Å; F196-V220 HydrophobicContact CD2-CG2 3.49Å; F196-V220 VanDerWaalsContact CD2-CG2 3.49Å; F196-V220 HydrophobicContact CE2-CB 4.03Å; F196-V220 HydrophobicContact CE2-CG2 4.35Å; F196-V220 HydrophobicContact CG-CB 4.26Å; F196-V220 HydrophobicContact CG-CG2 3.7Å; M218-V220 HydrophobicContact CG-CG2 3.83Å; V220-M222 PolarHBondContact O-N 3Å; V220-A223 HydrophobicContact CB-CB 4Å; V220-A223 HydrophobicContact CG1-CB 3.49Å; V220-A223 VanDerWaalsContact CG1-CB 3.49Å; V220-A223 PolarHBondContact O-N 3.03Å; V220-A223 VanDerWaalsContact O-N 3.15Å; V220-D224 PolarHBondContact O-N 3.21Å; V220-L236 HydrophobicContact CG1-CD2 4.4Å; V220-L243 HydrophobicContact CG1-CD2 3.95Å; V220-L243 HydrophobicContact CG2-CD2 4.16Å
221P97.6Very high89.2Confident0 Ų038.6 Ų38.60%021%0.207CC..THydrogen-bonded Turntrans-54.1138.9-178.4-26.535.3000111.7F20 W23 I63 Y114 M219 A223F20-P221 HydrophobicContact CE2-CB 4.2Å; F20-P221 HydrophobicContact CZ-CB 4.39Å; W23-P221 HydrophobicContact CH2-CB 4Å; W23-P221 HydrophobicContact CH2-CG 3.88Å; W23-P221 HydrophobicContact CZ3-CB 3.79Å; W23-P221 HydrophobicContact CZ3-CG 4.21Å; I63-P221 WeakPolarHBondContact CD1-O 3.34Å; Y114-P221 HydrophobicContact CD1-CB 4.45Å; Y114-P221 HydrophobicContact CD1-CG 3.93Å; Y114-P221 HydrophobicContact CD2-CB 3.66Å; Y114-P221 HydrophobicContact CD2-CG 4.02Å; Y114-P221 HydrophobicContact CE1-CG 4.07Å; Y114-P221 HydrophobicContact CE2-CB 3.98Å; Y114-P221 HydrophobicContact CE2-CG 4.17Å; Y114-P221 HydrophobicContact CG-CB 3.92Å; Y114-P221 HydrophobicContact CG-CG 3.9Å; M219-P221 WeakPolarHBondContact O-CD 3.44Å; P221-A223 PolarHBondContact O-N 2.92Å
222M96.1Very high91.4Very high0 Ų033.6 Ų33.60%018%0.184CC..THydrogen-bonded Turntrans79.7-48-172.3-172.868.267.100113.5F20 L21 L29 L31 L37 M48 F61 I63 V220 D224 M225 L226F20-M222 HydrophobicContact CE1-CE 3.68Å; F20-M222 HydrophobicContact CE1-SD 4.48Å; F20-M222 HydrophobicContact CZ-CB 4.36Å; F20-M222 HydrophobicContact CZ-CE 4.24Å; L21-M222 HydrophobicContact CD2-CE 4.21Å; L29-M222 HydrophobicContact CD1-CB 3.85Å; L29-M222 HydrophobicContact CD2-CB 4.41Å; L29-M222 HydrophobicContact CD2-CE 4.18Å; L29-M222 HydrophobicContact CD2-CG 4.43Å; L31-M222 HydrophobicContact CD1-CE 4.28Å; L31-M222 HydrophobicContact CD1-SD 4.26Å; L31-M222 HydrophobicContact CD2-CE 4.32Å; L37-M222 HydrophobicContact CD1-CE 3.76Å; L37-M222 HydrophobicContact CD1-SD 3.57Å; L37-M222 VanDerWaalsContact CD1-SD 3.57Å; L37-M222 HydrophobicContact CD2-SD 3.84Å; L37-M222 HydrophobicContact CG-CE 4.33Å; L37-M222 HydrophobicContact CG-SD 3.75Å; M48-M222 HydrophobicContact CE-CG 4.12Å; M48-M222 HydrophobicContact CE-SD 3.46Å; M48-M222 WeakPolarHBondContact CE-SD 3.36Å; F61-M222 HydrophobicContact CD1-CG 4Å; F61-M222 HydrophobicContact CD2-CB 4.39Å; F61-M222 HydrophobicContact CD2-CG 3.77Å; F61-M222 HydrophobicContact CE1-CG 3.99Å; F61-M222 HydrophobicContact CE2-CB 4.24Å; F61-M222 HydrophobicContact CE2-CG 3.75Å; F61-M222 HydrophobicContact CG-CG 3.89Å; F61-M222 HydrophobicContact CZ-CG 3.85Å; I63-M222 HydrophobicContact CD1-CB 4.44Å; V220-M222 PolarHBondContact O-N 3Å; M222-D224 VanDerWaalsContact C-N 3.32Å; M222-D224 PolarHBondContact O-N 3.43Å; M222-M225 WeakPolarHBondContact O-CB 3.28Å; M222-M225 PolarHBondContact O-N 2.8Å; M222-L226 WeakPolarHBondContact O-CD1 3.37Å
223A97.2Very high93Very high0 Ų027.6 Ų27.60%016%0.161CC..G310 helixtrans-66.6-37.4-178.500000112.1F61 I63 F196 V220 P221 M225 L226 L236 M245F61-A223 HydrophobicContact CE2-CB 4.13Å; F61-A223 HydrophobicContact CZ-CB 4.38Å; I63-A223 HydrophobicContact CD1-CB 4.04Å; F196-A223 HydrophobicContact CE1-CB 4.48Å; F196-A223 HydrophobicContact CE2-CB 4.09Å; F196-A223 HydrophobicContact CZ-CB 3.85Å; V220-A223 HydrophobicContact CB-CB 4Å; V220-A223 HydrophobicContact CG1-CB 3.49Å; V220-A223 VanDerWaalsContact CG1-CB 3.49Å; V220-A223 PolarHBondContact O-N 3.03Å; V220-A223 VanDerWaalsContact O-N 3.15Å; P221-A223 PolarHBondContact O-N 2.92Å; A223-M225 PolarHBondContact O-N 3.38Å; A223-L226 PolarHBondContact O-N 3.03Å; A223-L236 HydrophobicContact CB-CD1 4.09Å; A223-L236 HydrophobicContact CB-CD2 4.35Å; A223-M245 HydrophobicContact CB-CE 4.3Å
224D95.1Very high94.4Very high9 Ų923.5 Ų23.55%0.04813%0.127CC..G310 helixtrans-72.60.2177.172.3-18.2000114.7Y114 Y194 F196 V220 M222Y114-D224 WeakPolarHBondContact CE2-OD2 3.37Å; Y114-D224 VanDerWaalsContact CZ-OD2 3.23Å; Y114-D224 PolarHBondContact OH-OD2 3.21Å; Y194-D224 HydrophobicContact CD1-CB 4.19Å; F196-D224 HydrophobicContact CE2-CB 3.94Å; V220-D224 PolarHBondContact O-N 3.21Å; M222-D224 VanDerWaalsContact C-N 3.32Å; M222-D224 PolarHBondContact O-N 3.43Å
225M93.8Very high95.2Very high15 Ų1521.4 Ų21.47%0.07411%0.111CC..G310 helixtrans-95.6-8.8174.8-60.2-74.2162.500112.6L37 Y46 G47 Y114 L117 M222 A223L37-M225 HydrophobicContact CD2-CB 3.91Å; Y46-M225 HydrophobicContact CD2-SD 4.25Å; Y46-M225 HydrophobicContact CG-SD 4.3Å; G47-M225 WeakPolarHBondContact CA-O 3.31Å; Y114-M225 HydrophobicContact CD2-CE 4.34Å; Y114-M225 HydrophobicContact CE2-CE 4.16Å; L117-M225 HydrophobicContact CB-CE 3.71Å; L117-M225 HydrophobicContact CD1-CE 4.09Å; M222-M225 WeakPolarHBondContact O-CB 3.28Å; M222-M225 PolarHBondContact O-N 2.8Å; A223-M225 PolarHBondContact O-N 3.38Å
226L96.1Very high95.6Very high0 Ų019.8 Ų19.80%010%0.102CC..SBendtrans-84.2131.1175.9-83.963.3000109.1M48 F61 M222 A223 M245 V257 N259 Y261M48-L226 HydrophobicContact CB-CD1 3.94Å; M48-L226 HydrophobicContact CB-CG 4.2Å; M48-L226 HydrophobicContact CE-CD1 3.91Å; M48-L226 HydrophobicContact SD-CD1 4.24Å; F61-L226 HydrophobicContact CE1-CD1 3.85Å; F61-L226 HydrophobicContact CE1-CD2 4.22Å; F61-L226 HydrophobicContact CZ-CD1 3.89Å; F61-L226 HydrophobicContact CZ-CD2 4.29Å; M222-L226 WeakPolarHBondContact O-CD1 3.37Å; A223-L226 PolarHBondContact O-N 3.03Å; L226-M245 HydrophobicContact CD2-CE 3.98Å; L226-M245 HydrophobicContact CD2-CG 3.8Å; L226-M245 HydrophobicContact CD2-SD 3.75Å; L226-V257 HydrophobicContact CD2-CB 4.37Å; L226-V257 HydrophobicContact CD2-CG1 3.62Å; L226-V257 HydrophobicContact CG-CG1 4.32Å; L226-N259 HydrophobicContact CB-CB 3.8Å; L226-N259 HydrophobicContact CD2-CB 4.2Å; L226-Y261 PolarHBondContact O-OH 3.09Å
227N95.1Very high96Very high24 Ų2421.3 Ų21.313%0.12811%0.105CC..EExtended strand (participates in β ladder)trans-73165.9175.3-69.5-55.7000111.5V43 A44 Y46 E256 F258 N259V43-N227 HydrophobicContact CG2-CB 3.61Å; A44-N227 WeakPolarHBondContact CB-OD1 3.41Å; Y46-N227 PolarHBondContact O-ND2 2.95Å; N227-E256 PolarHBondContact ND2-OE1 2.96Å; N227-F258 HydrophobicContact CB-CD1 3.91Å; N227-F258 HydrophobicContact CB-CE1 3.97Å; N227-F258 CarbonylContact O-C 3.57Å; N227-F258 VanDerWaalsContact O-CA 3.26Å; N227-F258 WeakPolarHBondContact O-CA 3.32Å; N227-N259 PolarHBondContact O-N 3.31Å
228H94.3Very high95.9Very high6 Ų623.8 Ų23.83%0.02812%0.115CC..EExtended strand (participates in β ladder)trans-109.2142.2176.6175.169.5000112.8N259 T260 Y261 F275 E277H228-N259 WeakPolarHBondContact CA-O 3.46Å; H228-N259 PolarHBondContact ND1-O 2.96Å; H228-N259 VanDerWaalsContact ND1-O 3.16Å; H228-T260 WeakPolarHBondContact ND1-CA 3.44Å; H228-Y261 HydrophobicContact CB-CD1 3.76Å; H228-Y261 HydrophobicContact CB-CD2 3.39Å; H228-Y261 HydrophobicContact CB-CE1 3.63Å; H228-Y261 HydrophobicContact CB-CE2 3.29Å; H228-Y261 HydrophobicContact CB-CG 3.62Å; H228-Y261 PolarHBondContact CE1-N 2.99Å; H228-Y261 AromaticContact CG-CD2 3.76Å; H228-Y261 AromaticContact CG-CG 3.76Å; H228-Y261 PolarHBondContact N-OH 3.46Å; H228-Y261 AromaticContact ND1-CG 3.97Å; H228-Y261 PolarHBondContact ND1-N 3.06Å; H228-Y261 VanDerWaalsContact ND1-N 3.1Å; H228-F275 HydrophobicContact CB-CZ 4.05Å; H228-F275 AromaticContact CD2-CZ 3.98Å; H228-E277 IonicContact NE2-OE1 2.7Å
229V94Very high95.7Very high33 Ų3324.7 Ų24.720%0.212%0.123CC..  trans-139.9151.3155.4-64.30000108.3K231 H232 F258V229-K231 PolarHBondContact O-N 2.96Å; V229-H232 WeakPolarHBondContact O-CB 3.34Å; V229-H232 PolarHBondContact O-N 2.94Å; V229-F258 HydrophobicContact CB-CD1 4.47Å; V229-F258 HydrophobicContact CG1-CD1 3.83Å; V229-F258 HydrophobicContact CG1-CE1 3.92Å; V229-F258 HydrophobicContact CG1-CG 4.27Å; V229-F258 HydrophobicContact CG1-CZ 4.43Å; V229-F258 HydrophobicContact CG2-CB 3.68Å; V229-F258 HydrophobicContact CG2-CD1 4.05Å; V229-F258 HydrophobicContact CG2-CD2 4.05Å; V229-F258 HydrophobicContact CG2-CG 3.66Å
230S91.4Very high95.4Very high9 Ų929.9 Ų29.96%0.06316%0.157CC..THydrogen-bonded Turntrans-51.6-44.2173.853.40000112.2H232 E277 E281 S283S230-H232 VanDerWaalsContact C-N 3.25Å; S230-H232 PolarHBondContact O-N 3.44Å; S230-H232 VanDerWaalsContact O-N 3.1Å; S230-H232 PolarHBondContact O-ND1 3.22Å; S230-E277 WeakPolarHBondContact CB-OE1 3.42Å; S230-E277 VanDerWaalsContact N-CD 3.3Å; S230-E277 PolarHBondContact N-OE1 3Å; S230-E277 PolarHBondContact N-OE2 2.91Å; S230-E277 PolarHBondContact OG-OE2 3.47Å; S230-E281 PolarHBondContact OG-O 3.31Å; S230-S283 PolarHBondContact OG-N 3.48Å
231K92.9Very high95.2Very high120 Ų12036.5 Ų36.552%0.52219%0.192SC..THydrogen-bonded Turntrans-85.952.7175.2-58.5171.7-166.2159.90112.5V229 E281V229-K231 PolarHBondContact O-N 2.96Å; K231-E281 IonicContact NZ-OE2 2.9Å; K231-E281 PolarHBondContact NZ-OE2 2.91Å
232H96.1Very high95.2Very high57 Ų5737.3 Ų37.326%0.26420%0.198SC..  trans-60.1164.6-176.564.3-76.9000113.4V229 S230 A234V229-H232 WeakPolarHBondContact O-CB 3.34Å; V229-H232 PolarHBondContact O-N 2.94Å; S230-H232 VanDerWaalsContact C-N 3.25Å; S230-H232 PolarHBondContact O-N 3.44Å; S230-H232 VanDerWaalsContact O-N 3.1Å; S230-H232 PolarHBondContact O-ND1 3.22Å; H232-A234 PolarHBondContact CD2-O 3.13Å; H232-A234 VanDerWaalsContact CD2-O 3.3Å
233N97.3Very high95.3Very high0 Ų037.3 Ų37.30%020%0.198CC..SBendtrans-130.91.9179.861.320.9000113.7S247 V248 R249 L251 E255 E256 V257 F258N233-S247 CarbonylContact O-C 3.01Å; N233-S247 WeakPolarHBondContact O-CA 3.32Å; N233-V248 PolarHBondContact O-N 2.9Å; N233-R249 HydrophobicContact CB-CG 3.76Å; N233-R249 VanDerWaalsContact CB-CZ 3.5Å; N233-R249 PolarHBondContact ND2-NH2 2.96Å; N233-L251 HydrophobicContact CB-CD2 4.22Å; N233-L251 HydrophobicContact CB-CG 4.23Å; N233-L251 VanDerWaalsContact CG-CD2 3.48Å; N233-L251 WeakPolarHBondContact ND2-CD2 3.21Å; N233-E255 PolarHBondContact ND2-OE1 3.39Å; N233-E256 PolarHBondContact ND2-O 3.07Å; N233-V257 WeakPolarHBondContact OD1-CA 3.26Å; N233-F258 PolarHBondContact N-O 2.98Å; N233-F258 VanDerWaalsContact N-O 3.08Å; N233-F258 PolarHBondContact OD1-N 3.31Å; N233-F258 PolarHBondContact OD1-O 2.98Å
234A97.9Very high95.4Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-143.1155.5167.600000111.9L60 H232 M245 V246 V257 F258 N259L60-A234 HydrophobicContact CD1-CB 3.82Å; H232-A234 PolarHBondContact CD2-O 3.13Å; H232-A234 VanDerWaalsContact CD2-O 3.3Å; A234-M245 HydrophobicContact CB-CG 4.03Å; A234-M245 HydrophobicContact CB-SD 3.59Å; A234-M245 VanDerWaalsContact CB-SD 3.59Å; A234-V246 CarbonylContact C-O 3.6Å; A234-V246 WeakPolarHBondContact CA-O 3.47Å; A234-V246 WeakPolarHBondContact CB-O 3.49Å; A234-V257 HydrophobicContact CB-CG1 3.61Å; A234-F258 PolarHBondContact N-O 2.82Å; A234-N259 WeakPolarHBondContact O-CA 3.42Å; A234-N259 PolarHBondContact O-OD1 2.89Å
235N97.1Very high95.6Very high48 Ų4840.1 Ų40.126%0.25721%0.21SC..EExtended strand (participates in β ladder)trans-137.9159173.168.7-14.4000111.3M245 V246 V248 T260N235-M245 WeakPolarHBondContact O-CA 3.45Å; N235-V246 PolarHBondContact N-O 2.76Å; N235-V246 PolarHBondContact O-N 2.99Å; N235-V246 PolarHBondContact OD1-O 2.9Å; N235-V248 HydrophobicContact CB-CG1 4Å; N235-V248 VanDerWaalsContact CG-CG1 3.46Å; N235-V248 WeakPolarHBondContact OD1-CG1 3.47Å; N235-T260 HydrophobicContact CB-CG2 4.24Å
236L97.5Very high95.8Very high23 Ų2339.8 Ų39.812%0.1221%0.208CC..EExtended strand (participates in β ladder)trans-93.9121.2177.8-167.570.4000110.1F196 V220 A223 F238 L243 K244 M245F196-L236 HydrophobicContact CD1-CD2 3.45Å; F196-L236 VanDerWaalsContact CD1-CD2 3.45Å; F196-L236 HydrophobicContact CE1-CD2 3.65Å; F196-L236 HydrophobicContact CG-CD2 4.1Å; F196-L236 HydrophobicContact CZ-CD2 4.45Å; V220-L236 HydrophobicContact CG1-CD2 4.4Å; A223-L236 HydrophobicContact CB-CD1 4.09Å; A223-L236 HydrophobicContact CB-CD2 4.35Å; L236-F238 HydrophobicContact CD2-CE2 4.42Å; L236-F238 HydrophobicContact CD2-CZ 4.02Å; L236-L243 HydrophobicContact CD1-CB 4.11Å; L236-L243 HydrophobicContact CD2-CD2 3.96Å; L236-L243 HydrophobicContact CG-CB 4.49Å; L236-L243 HydrophobicContact CG-CD2 4.49Å; L236-K244 CarbonylContact C-O 3.54Å; L236-K244 WeakPolarHBondContact CA-O 3.44Å; L236-M245 HydrophobicContact CB-CE 3.8Å; L236-M245 HydrophobicContact CD1-CE 3.79Å; L236-M245 HydrophobicContact CG-CE 4.37Å
237E96.7Very high95.9Very high86 Ų8639.9 Ų39.940%0.40221%0.209SC..EExtended strand (participates in β ladder)trans-100.5135.2173.3-63.9-179.8177.700110.4L243 K244 V246E237-L243 CarbonylContact O-C 3.41Å; E237-L243 WeakPolarHBondContact O-CA 3.44Å; E237-K244 PolarHBondContact N-O 2.97Å; E237-K244 PolarHBondContact O-N 3.09Å; E237-V246 HydrophobicContact CG-CG2 4.15Å
238F94.8Very high96Very high56 Ų5641 Ų4125%0.24622%0.217CC..EExtended strand (participates in β ladder)trans-95.4138.4175.5-63.3-96.3000110E198 M218 L236 L243E198-F238 HydrophobicContact CB-CD1 3.79Å; E198-F238 HydrophobicContact CB-CE1 3.61Å; E198-F238 HydrophobicContact CB-CG 4.42Å; E198-F238 HydrophobicContact CB-CZ 4.12Å; E198-F238 HydrophobicContact CG-CB 4.25Å; E198-F238 HydrophobicContact CG-CD1 3.51Å; E198-F238 HydrophobicContact CG-CD2 4.42Å; E198-F238 HydrophobicContact CG-CE1 3.91Å; E198-F238 HydrophobicContact CG-CG 3.81Å; E198-F238 WeakPolarHBondContact OE1-CB 3.48Å; E198-F238 WeakPolarHBondContact OE1-CD1 3.3Å; M218-F238 HydrophobicContact CE-CE1 4.17Å; L236-F238 HydrophobicContact CD2-CE2 4.42Å; L236-F238 HydrophobicContact CD2-CZ 4.02Å; F238-L243 HydrophobicContact CD1-CD1 4.34Å; F238-L243 HydrophobicContact CD1-CD2 3.78Å; F238-L243 HydrophobicContact CD1-CG 3.73Å; F238-L243 HydrophobicContact CE1-CD2 3.51Å; F238-L243 HydrophobicContact CE1-CG 4.02Å; F238-L243 HydrophobicContact CG-CG 4.49Å; F238-L243 HydrophobicContact CZ-CD2 4.35Å
239S93.2Very high96.1Very high33 Ų3345.1 Ų45.123%0.23123%0.232CC..  trans-138.2161.5172.7-570000109.5R65 D241 S242R65-S239 PolarHBondContact NE-O 2.84Å; R65-S239 VanDerWaalsContact NE-O 3.12Å; R65-S239 PolarHBondContact NH2-O 3.06Å; S239-D241 PolarHBondContact O-N 3.1Å; S239-D241 VanDerWaalsContact O-N 3.12Å; S239-S242 WeakPolarHBondContact CA-O 3.37Å; S239-S242 VanDerWaalsContact CB-O 3.28Å; S239-S242 WeakPolarHBondContact CB-O 3.25Å; S239-S242 PolarHBondContact N-O 3.16Å; S239-S242 PolarHBondContact O-N 3.12Å
240P92.1Very high96.3Very high109 Ų10945.9 Ų45.971%0.70824%0.238SC*.SBendtrans-53.1-38.7-177.1-30.536.6000114.1R65R65-P240 VanDerWaalsContact CD-O 3.23Å; R65-P240 WeakPolarHBondContact CD-O 3.35Å; R65-P240 PolarHBondContact NE-O 3.46Å
241D93.9Very high96.6Very high139 Ų13945.5 Ų45.574%0.74324%0.235SC*.SBendtrans-98.1-22.6-174.7-60-45.8000114.4R65 S239R65-D241 PolarHBondContact N-O 3.5Å; S239-D241 PolarHBondContact O-N 3.1Å; S239-D241 VanDerWaalsContact O-N 3.12Å
242S97.1Very high96.8Very high17 Ų1745.3 Ų45.312%0.11924%0.236CC..EExtended strand (participates in β ladder)trans-161.7161.5-167.964.50000112.6I63 S239I63-S242 CarbonylContact O-C 3.5Å; I63-S242 WeakPolarHBondContact O-CA 3.41Å; I63-S242 VanDerWaalsContact O-CB 3.29Å; I63-S242 WeakPolarHBondContact O-CB 3.41Å; S239-S242 WeakPolarHBondContact CA-O 3.37Å; S239-S242 VanDerWaalsContact CB-O 3.28Å; S239-S242 WeakPolarHBondContact CB-O 3.25Å; S239-S242 PolarHBondContact N-O 3.16Å; S239-S242 PolarHBondContact O-N 3.12Å
243L98.4Very high96.9Very high0 Ų048.3 Ų48.30%025%0.248CC..EExtended strand (participates in β ladder)trans-103.9144.3168.1-6964.9000109T62 I63 R65 L68 V220 L236 E237 F238T62-L243 CarbonylContact C-O 3.53Å; T62-L243 WeakPolarHBondContact CA-O 3.34Å; I63-L243 HydrophobicContact CB-CB 4.45Å; I63-L243 PolarHBondContact N-O 3.07Å; I63-L243 PolarHBondContact O-N 2.95Å; R65-L243 HydrophobicContact CG-CD1 4.01Å; L68-L243 HydrophobicContact CD1-CD1 3.81Å; L68-L243 HydrophobicContact CD1-CD2 4.46Å; L68-L243 HydrophobicContact CD2-CD1 4.41Å; L68-L243 HydrophobicContact CD2-CD2 4.19Å; V220-L243 HydrophobicContact CG1-CD2 3.95Å; V220-L243 HydrophobicContact CG2-CD2 4.16Å; L236-L243 HydrophobicContact CD1-CB 4.11Å; L236-L243 HydrophobicContact CD2-CD2 3.96Å; L236-L243 HydrophobicContact CG-CB 4.49Å; L236-L243 HydrophobicContact CG-CD2 4.49Å; E237-L243 CarbonylContact O-C 3.41Å; E237-L243 WeakPolarHBondContact O-CA 3.44Å; F238-L243 HydrophobicContact CD1-CD1 4.34Å; F238-L243 HydrophobicContact CD1-CD2 3.78Å; F238-L243 HydrophobicContact CD1-CG 3.73Å; F238-L243 HydrophobicContact CE1-CD2 3.51Å; F238-L243 HydrophobicContact CE1-CG 4.02Å; F238-L243 HydrophobicContact CG-CG 4.49Å; F238-L243 HydrophobicContact CZ-CD2 4.35Å
244K98.4Very high96.8Very high68 Ų6853.9 Ų53.930%0.29628%0.278SS..EExtended strand (participates in β ladder)trans-129131.6-178.9-65.1176.1-173.6164.50110.2V59 F61 T62 L236 E237 V246V59-K244 HydrophobicContact CG1-CB 4.41Å; V59-K244 HydrophobicContact CG2-CD 4.46Å; F61-K244 WeakPolarHBondContact O-CA 3.44Å; T62-K244 HydrophobicContact CG2-CG 4.09Å; L236-K244 CarbonylContact C-O 3.54Å; L236-K244 WeakPolarHBondContact CA-O 3.44Å; E237-K244 PolarHBondContact N-O 2.97Å; E237-K244 PolarHBondContact O-N 3.09Å; K244-V246 HydrophobicContact CB-CG2 4.14Å
245M98.5Very high96.8Very high0 Ų056 Ų560%029%0.288CS..EExtended strand (participates in β ladder)trans-91.5124.5167.1-176.865.153.500108.5L60 F61 A223 L226 A234 N235 L236 N259L60-M245 HydrophobicContact CB-CB 4.39Å; L60-M245 HydrophobicContact CB-CG 4.29Å; L60-M245 HydrophobicContact CD1-CG 4Å; L60-M245 HydrophobicContact CG-CG 4.44Å; L60-M245 PolarHBondContact N-O 3.18Å; F61-M245 HydrophobicContact CD1-CB 3.88Å; F61-M245 HydrophobicContact CD1-CG 4.32Å; F61-M245 HydrophobicContact CD2-CB 3.83Å; F61-M245 HydrophobicContact CE1-CB 3.43Å; F61-M245 VanDerWaalsContact CE1-CB 3.43Å; F61-M245 HydrophobicContact CE1-CG 3.55Å; F61-M245 HydrophobicContact CE2-CB 3.38Å; F61-M245 HydrophobicContact CE2-CG 4.23Å; F61-M245 HydrophobicContact CG-CB 4.07Å; F61-M245 HydrophobicContact CZ-CB 3.18Å; F61-M245 HydrophobicContact CZ-CE 4.06Å; F61-M245 HydrophobicContact CZ-CG 3.51Å; F61-M245 PolarHBondContact O-N 2.86Å; A223-M245 HydrophobicContact CB-CE 4.3Å; L226-M245 HydrophobicContact CD2-CE 3.98Å; L226-M245 HydrophobicContact CD2-CG 3.8Å; L226-M245 HydrophobicContact CD2-SD 3.75Å; A234-M245 HydrophobicContact CB-CG 4.03Å; A234-M245 HydrophobicContact CB-SD 3.59Å; A234-M245 VanDerWaalsContact CB-SD 3.59Å; N235-M245 WeakPolarHBondContact O-CA 3.45Å; L236-M245 HydrophobicContact CB-CE 3.8Å; L236-M245 HydrophobicContact CD1-CE 3.79Å; L236-M245 HydrophobicContact CG-CE 4.37Å; M245-N259 HydrophobicContact CE-CB 4.41Å
246V98.4Very high96.8Very high8 Ų854.2 Ų54.25%0.04828%0.278CS..EExtended strand (participates in β ladder)trans-123.9140.3-173.1-1750000109.6V59 A234 N235 E237 K244V59-V246 HydrophobicContact CG2-CG2 4.32Å; A234-V246 CarbonylContact C-O 3.6Å; A234-V246 WeakPolarHBondContact CA-O 3.47Å; A234-V246 WeakPolarHBondContact CB-O 3.49Å; N235-V246 PolarHBondContact N-O 2.76Å; N235-V246 PolarHBondContact O-N 2.99Å; N235-V246 PolarHBondContact OD1-O 2.9Å; E237-V246 HydrophobicContact CG-CG2 4.15Å; K244-V246 HydrophobicContact CB-CG2 4.14Å
247S98.3Very high96.9Very high2 Ų253.1 Ų53.11%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-69.6130.2172.153.40000111.1E55 G57 E58 N233E55-S247 PolarHBondContact O-OG 2.83Å; G57-S247 WeakPolarHBondContact CA-O 3.48Å; G57-S247 PolarHBondContact N-O 2.97Å; G57-S247 PolarHBondContact N-OG 3.4Å; E58-S247 PolarHBondContact N-OG 2.87Å; E58-S247 PolarHBondContact O-N 3.49Å; E58-S247 PolarHBondContact O-OG 3.47Å; N233-S247 CarbonylContact O-C 3.01Å; N233-S247 WeakPolarHBondContact O-CA 3.32Å
248V97.3Very high96.9Very high48 Ų4850.3 Ų50.329%0.29126%0.259SS..SBendtrans-96.7-4.2176.5-58.40000113.1N233 N235N233-V248 PolarHBondContact O-N 2.9Å; N235-V248 HydrophobicContact CB-CG1 4Å; N235-V248 VanDerWaalsContact CG-CG1 3.46Å; N235-V248 WeakPolarHBondContact OD1-CG1 3.47Å
249R97Very high97Very high92 Ų9247.7 Ų47.735%0.34725%0.248SC..SBendtrans-156170.1171.261.6172.2179.382.1-4.4110N233 L251 E255N233-R249 HydrophobicContact CB-CG 3.76Å; N233-R249 VanDerWaalsContact CB-CZ 3.5Å; N233-R249 PolarHBondContact ND2-NH2 2.96Å; R249-L251 WeakPolarHBondContact O-CD1 3.28Å; R249-L251 PolarHBondContact O-N 3.42Å; R249-E255 IonicContact CZ-OE1 3.17Å; R249-E255 VanDerWaalsContact CZ-OE1 3.27Å; R249-E255 IonicContact NH1-OE1 3.15Å; R249-E255 PolarHBondContact NH1-OE1 3.41Å; R249-E255 IonicContact NH1-OE2 3.97Å; R249-E255 IonicContact NH2-OE1 3.54Å; R249-E255 PolarHBondContact NH2-OE1 3.04Å
250C97.4Very high96.9Very high49 Ų4948 Ų4833%0.33125%0.248SC..  trans-58.2134.9170.1-172.50000110.9I54I54-C250 CarbonylContact O-C 3.55Å; I54-C250 VanDerWaalsContact O-CA 3.3Å; I54-C250 WeakPolarHBondContact O-CA 3.42Å
251L97.9Very high96.9Very high0 Ų045.1 Ų45.10%022%0.223CC..BIsolated β-bridgetrans-112.9138.1168.6-60.294.8000110A50 D53 I54 N233 R249 E255 V257A50-L251 HydrophobicContact CB-CB 4.47Å; D53-L251 WeakPolarHBondContact CA-O 3.37Å; I54-L251 HydrophobicContact CB-CB 4.23Å; I54-L251 HydrophobicContact CB-CD1 4.11Å; I54-L251 HydrophobicContact CG2-CD1 4.25Å; I54-L251 PolarHBondContact N-O 3.06Å; I54-L251 PolarHBondContact O-N 3.21Å; N233-L251 HydrophobicContact CB-CD2 4.22Å; N233-L251 HydrophobicContact CB-CG 4.23Å; N233-L251 VanDerWaalsContact CG-CD2 3.48Å; N233-L251 WeakPolarHBondContact ND2-CD2 3.21Å; R249-L251 WeakPolarHBondContact O-CD1 3.28Å; R249-L251 PolarHBondContact O-N 3.42Å; L251-E255 WeakPolarHBondContact CA-OE2 3.34Å; L251-V257 HydrophobicContact CD2-CB 4.36Å; L251-V257 HydrophobicContact CD2-CG2 3.88Å
252H98.1Very high96.8Very high117 Ų11739.9 Ų39.954%0.54220%0.203SC..  trans-84.7154.6173.2-66.3-57.2000111.5A50 D53 D254 E255A50-H252 WeakPolarHBondContact CB-O 3.44Å; D53-H252 WeakPolarHBondContact OD1-CA 3.45Å; H252-D254 PolarHBondContact O-N 3.38Å; H252-E255 PolarHBondContact N-OE2 3.3Å; H252-E255 WeakPolarHBondContact O-CB 3.19Å; H252-E255 PolarHBondContact O-N 2.75Å
253K97.8Very high96.6Very high119 Ų11946.9 Ų46.952%0.51723%0.233SC..THydrogen-bonded Turntrans-47.7137.5167.1177.2171.3177.6179.50111.7K51 D53 E255K51-K253 VanDerWaalsContact O-CD 3.31Å; K51-K253 WeakPolarHBondContact O-CD 3.33Å; K51-K253 VanDerWaalsContact O-CE 3.31Å; K51-K253 WeakPolarHBondContact O-CE 3.35Å; K51-K253 WeakPolarHBondContact O-CG 3.33Å; D53-K253 PolarHBondContact OD1-N 2.96Å; K253-E255 PolarHBondContact O-N 2.96Å
254D96.1Very high96.5Very high117 Ų11748.7 Ų48.763%0.62624%0.242SC*.THydrogen-bonded Turntrans68.13.3-178.5-50.1-42.9000114.4A50 H252A50-D254 VanDerWaalsContact O-CA 3.31Å; A50-D254 WeakPolarHBondContact O-CA 3.47Å; A50-D254 PolarHBondContact O-N 2.83Å; H252-D254 PolarHBondContact O-N 3.38Å
255E97.1Very high96.5Very high44 Ų4445.5 Ų45.521%0.20623%0.228CC..  trans-72.5141.7170.7-167.1179.1164.600110.9L49 A50 N233 R249 L251 H252 K253L49-E255 WeakPolarHBondContact CA-O 3.36Å; A50-E255 PolarHBondContact N-O 3.48Å; N233-E255 PolarHBondContact ND2-OE1 3.39Å; R249-E255 IonicContact CZ-OE1 3.17Å; R249-E255 VanDerWaalsContact CZ-OE1 3.27Å; R249-E255 IonicContact NH1-OE1 3.15Å; R249-E255 PolarHBondContact NH1-OE1 3.41Å; R249-E255 IonicContact NH1-OE2 3.97Å; R249-E255 IonicContact NH2-OE1 3.54Å; R249-E255 PolarHBondContact NH2-OE1 3.04Å; L251-E255 WeakPolarHBondContact CA-OE2 3.34Å; H252-E255 PolarHBondContact N-OE2 3.3Å; H252-E255 WeakPolarHBondContact O-CB 3.19Å; H252-E255 PolarHBondContact O-N 2.75Å; K253-E255 PolarHBondContact O-N 2.96Å
256E97.6Very high96.5Very high12 Ų1245.6 Ų45.66%0.05623%0.229CC..EExtended strand (participates in β ladder)trans-75.7137.7172.3-176.7170.1-163.200111.1T42 V43 M48 L49 N227 N233 F258T42-E256 VanDerWaalsContact CA-OE2 3.31Å; T42-E256 WeakPolarHBondContact CA-OE2 3.49Å; T42-E256 WeakPolarHBondContact CB-OE1 3.24Å; V43-E256 WeakPolarHBondContact CG1-OE2 3.31Å; V43-E256 PolarHBondContact N-OE2 3.19Å; M48-E256 CarbonylContact O-C 3.49Å; M48-E256 WeakPolarHBondContact O-CA 3.19Å; L49-E256 HydrophobicContact CD2-CB 3.71Å; L49-E256 HydrophobicContact CD2-CG 4.15Å; N227-E256 PolarHBondContact ND2-OE1 2.96Å; N233-E256 PolarHBondContact ND2-O 3.07Å; E256-F258 HydrophobicContact CB-CD2 4.35Å; E256-F258 HydrophobicContact CB-CE2 3.64Å; E256-F258 HydrophobicContact CB-CZ 3.74Å; E256-F258 HydrophobicContact CG-CD1 4.47Å; E256-F258 HydrophobicContact CG-CD2 4.4Å; E256-F258 HydrophobicContact CG-CE1 3.99Å; E256-F258 HydrophobicContact CG-CE2 3.92Å; E256-F258 HydrophobicContact CG-CZ 3.68Å; E256-F258 VanDerWaalsContact O-CD2 3.31Å; E256-F258 WeakPolarHBondContact O-CD2 3.47Å; E256-F258 VanDerWaalsContact OE2-CZ 3.24Å; E256-F258 WeakPolarHBondContact OE2-CZ 3.4Å
257V98Very high96.5Very high0 Ų047 Ų470%023%0.233CC..EExtended strand (participates in β ladder)trans-84.9115.9173.3-173.50000107.9V35 M48 L60 L226 N233 A234 L251V35-V257 HydrophobicContact CG1-CG2 4.44Å; M48-V257 HydrophobicContact CB-CB 4.06Å; M48-V257 HydrophobicContact CB-CG2 4.25Å; M48-V257 HydrophobicContact CG-CB 4.17Å; M48-V257 HydrophobicContact CG-CG2 3.86Å; M48-V257 PolarHBondContact O-N 2.94Å; M48-V257 HydrophobicContact SD-CG2 4.34Å; L60-V257 HydrophobicContact CD1-CB 4.46Å; L60-V257 HydrophobicContact CD1-CG1 3.37Å; L60-V257 HydrophobicContact CD1-CG2 4.26Å; L226-V257 HydrophobicContact CD2-CB 4.37Å; L226-V257 HydrophobicContact CD2-CG1 3.62Å; L226-V257 HydrophobicContact CG-CG1 4.32Å; N233-V257 WeakPolarHBondContact OD1-CA 3.26Å; A234-V257 HydrophobicContact CB-CG1 3.61Å; L251-V257 HydrophobicContact CD2-CB 4.36Å; L251-V257 HydrophobicContact CD2-CG2 3.88Å
258F97.3Very high96.5Very high26 Ų2649.6 Ų49.611%0.11425%0.245CC..EExtended strand (participates in β ladder)trans-108.4126.9177.5-65.6-78.5000110.8V43 N227 V229 N233 A234 E256V43-F258 HydrophobicContact CB-CE1 4.45Å; V43-F258 HydrophobicContact CG1-CE1 3.91Å; V43-F258 HydrophobicContact CG1-CZ 3.75Å; V43-F258 HydrophobicContact CG2-CE1 3.68Å; V43-F258 HydrophobicContact CG2-CZ 4.34Å; N227-F258 HydrophobicContact CB-CD1 3.91Å; N227-F258 HydrophobicContact CB-CE1 3.97Å; N227-F258 CarbonylContact O-C 3.57Å; N227-F258 VanDerWaalsContact O-CA 3.26Å; N227-F258 WeakPolarHBondContact O-CA 3.32Å; V229-F258 HydrophobicContact CB-CD1 4.47Å; V229-F258 HydrophobicContact CG1-CD1 3.83Å; V229-F258 HydrophobicContact CG1-CE1 3.92Å; V229-F258 HydrophobicContact CG1-CG 4.27Å; V229-F258 HydrophobicContact CG1-CZ 4.43Å; V229-F258 HydrophobicContact CG2-CB 3.68Å; V229-F258 HydrophobicContact CG2-CD1 4.05Å; V229-F258 HydrophobicContact CG2-CD2 4.05Å; V229-F258 HydrophobicContact CG2-CG 3.66Å; N233-F258 PolarHBondContact N-O 2.98Å; N233-F258 VanDerWaalsContact N-O 3.08Å; N233-F258 PolarHBondContact OD1-N 3.31Å; N233-F258 PolarHBondContact OD1-O 2.98Å; A234-F258 PolarHBondContact N-O 2.82Å; E256-F258 HydrophobicContact CB-CD2 4.35Å; E256-F258 HydrophobicContact CB-CE2 3.64Å; E256-F258 HydrophobicContact CB-CZ 3.74Å; E256-F258 HydrophobicContact CG-CD1 4.47Å; E256-F258 HydrophobicContact CG-CD2 4.4Å; E256-F258 HydrophobicContact CG-CE1 3.99Å; E256-F258 HydrophobicContact CG-CE2 3.92Å; E256-F258 HydrophobicContact CG-CZ 3.68Å; E256-F258 VanDerWaalsContact O-CD2 3.31Å; E256-F258 WeakPolarHBondContact O-CD2 3.47Å; E256-F258 VanDerWaalsContact OE2-CZ 3.24Å; E256-F258 WeakPolarHBondContact OE2-CZ 3.4Å
259N96.4Very high96.5Very high2 Ų247.3 Ų47.31%0.01123%0.231CC..EExtended strand (participates in β ladder)trans-82.3165.5170.3-173.229.7000111.1L226 N227 H228 A234 M245 Y261L226-N259 HydrophobicContact CB-CB 3.8Å; L226-N259 HydrophobicContact CD2-CB 4.2Å; N227-N259 PolarHBondContact O-N 3.31Å; H228-N259 WeakPolarHBondContact CA-O 3.46Å; H228-N259 PolarHBondContact ND1-O 2.96Å; H228-N259 VanDerWaalsContact ND1-O 3.16Å; A234-N259 WeakPolarHBondContact O-CA 3.42Å; A234-N259 PolarHBondContact O-OD1 2.89Å; M245-N259 HydrophobicContact CE-CB 4.41Å; N259-Y261 HydrophobicContact CB-CE1 4.44Å
260T92.9Very high96.6Very high39 Ų3943 Ų4324%0.23922%0.215CC..  trans-96.7135.7162.1-175.60000111.1H228 N235 G262H228-T260 WeakPolarHBondContact ND1-CA 3.44Å; N235-T260 HydrophobicContact CB-CG2 4.24Å; T260-G262 VanDerWaalsContact C-N 3.31Å; T260-G262 PolarHBondContact OG1-N 2.81Å; T260-G262 PolarHBondContact OG1-O 2.81Å
261Y91.6Very high96.6Very high48 Ų4841.6 Ų41.619%0.18820%0.204CC..  trans-95.76.8169.3-60.4-9.5000111.3L226 H228 N259 M264 Y273 F275L226-Y261 PolarHBondContact O-OH 3.09Å; H228-Y261 HydrophobicContact CB-CD1 3.76Å; H228-Y261 HydrophobicContact CB-CD2 3.39Å; H228-Y261 HydrophobicContact CB-CE1 3.63Å; H228-Y261 HydrophobicContact CB-CE2 3.29Å; H228-Y261 HydrophobicContact CB-CG 3.62Å; H228-Y261 PolarHBondContact CE1-N 2.99Å; H228-Y261 AromaticContact CG-CD2 3.76Å; H228-Y261 AromaticContact CG-CG 3.76Å; H228-Y261 PolarHBondContact N-OH 3.46Å; H228-Y261 AromaticContact ND1-CG 3.97Å; H228-Y261 PolarHBondContact ND1-N 3.06Å; H228-Y261 VanDerWaalsContact ND1-N 3.1Å; N259-Y261 HydrophobicContact CB-CE1 4.44Å; Y261-M264 WeakPolarHBondContact O-CE 3.42Å; Y261-Y273 AromaticContact CD2-CD1 3.52Å; Y261-Y273 HydrophobicContact CD2-CD1 3.52Å; Y261-Y273 HydrophobicContact CD2-CD2 4.26Å; Y261-Y273 AromaticContact CD2-CE1 3.32Å; Y261-Y273 HydrophobicContact CD2-CE1 3.32Å; Y261-Y273 HydrophobicContact CD2-CE2 4.09Å; Y261-Y273 HydrophobicContact CD2-CG 4.02Å; Y261-Y273 AromaticContact CD2-CZ 3.64Å; Y261-Y273 AromaticContact CE2-CD1 3.56Å; Y261-Y273 HydrophobicContact CE2-CD1 3.56Å; Y261-Y273 AromaticContact CE2-CE1 3.73Å; Y261-Y273 HydrophobicContact CE2-CE1 3.73Å; Y261-Y273 HydrophobicContact CE2-CG 4.22Å; Y261-Y273 AromaticContact CG-CE1 3.93Å; Y261-Y273 HydrophobicContact CG-CE1 3.93Å; Y261-F275 HydrophobicContact CD2-CE1 4.41Å; Y261-F275 HydrophobicContact CD2-CZ 4.47Å; Y261-F275 AromaticContact CE2-CE1 3.99Å; Y261-F275 HydrophobicContact CE2-CE1 3.99Å; Y261-F275 HydrophobicContact CE2-CZ 4.2Å
262G92.1Very high96.5Very high30 Ų3043.7 Ų43.731%0.30921%0.214SC..  trans109.1-177.5-169.800000112.2T260 M264T260-G262 VanDerWaalsContact C-N 3.31Å; T260-G262 PolarHBondContact OG1-N 2.81Å; T260-G262 PolarHBondContact OG1-O 2.81Å; G262-M264 PolarHBondContact O-N 3.29Å; G262-M264 VanDerWaalsContact O-N 3.12Å
263Q93.2Very high96.4Very high163 Ų16340.2 Ų40.276%0.76220%0.197SC*.SBendtrans-80.687.9173.8-64.8-179.70.600109
264M95.9Very high96.3Very high39 Ų3934.7 Ų34.719%0.19217%0.173CC..  trans-110.9122.7-171.1-65.1-71.5179.600112.2Y261 G262 Q268 L269 N282Y261-M264 WeakPolarHBondContact O-CE 3.42Å; G262-M264 PolarHBondContact O-N 3.29Å; G262-M264 VanDerWaalsContact O-N 3.12Å; M264-Q268 HydrophobicContact SD-CB 4Å; M264-L269 HydrophobicContact CB-CD2 3.55Å; M264-L269 HydrophobicContact CB-CG 3.82Å; M264-L269 HydrophobicContact CG-CD2 4.18Å; M264-N282 PolarHBondContact O-ND2 3.42Å; M264-N282 VanDerWaalsContact O-ND2 3.07Å
265A97.9Very high96.2Very high0 Ų031.8 Ų31.80%016%0.155CC..  trans-70.9160.616900000111.7W267 Q268 L269 N284 T286A265-W267 PolarHBondContact O-N 3.39Å; A265-Q268 WeakPolarHBondContact O-CB 3.3Å; A265-Q268 PolarHBondContact O-N 3.36Å; A265-L269 PolarHBondContact O-N 3.14Å; A265-N284 WeakPolarHBondContact CA-O 3.47Å; A265-N284 PolarHBondContact N-O 2.91Å; A265-T286 HydrophobicContact CB-CG2 4.19Å; A265-T286 WeakPolarHBondContact CB-OG1 3.46Å
266N98.3Very high96.1Very high2 Ų230.6 Ų30.61%0.01115%0.151CC..Hα-helixtrans-62.1-30.1-177.9-87-41.6000113.1L270 T276 E277 N282 D285 V437N266-L270 VanDerWaalsContact O-CB 3.31Å; N266-L270 WeakPolarHBondContact O-CB 3.37Å; N266-L270 PolarHBondContact O-N 3.04Å; N266-T276 HydrophobicContact CB-CG2 4.39Å; N266-E277 PolarHBondContact ND2-O 2.85Å; N266-E277 PolarHBondContact OD1-N 2.63Å; N266-E277 PolarHBondContact OD1-O 2.79Å; N266-N282 PolarHBondContact N-ND2 2.94Å; N266-N282 PolarHBondContact OD1-ND2 3.4Å; N266-D285 WeakPolarHBondContact CB-OD1 3.4Å; N266-D285 PolarHBondContact N-OD1 3.36Å; N266-D285 PolarHBondContact ND2-OD2 2.87Å; N266-D285 VanDerWaalsContact ND2-OD2 3.09Å; N266-V437 HydrophobicContact CB-CG2 4.14Å
267W98.3Very high96Very high39 Ų3930.6 Ų30.615%0.14815%0.151CC..Hα-helixtrans-67.2-38.8176.379.9-96.5000111.6V144 A265 H271 V437V144-W267 HydrophobicContact CG2-CB 3.93Å; V144-W267 HydrophobicContact CG2-CE3 4.23Å; A265-W267 PolarHBondContact O-N 3.39Å; W267-H271 WeakPolarHBondContact O-CB 3.26Å; W267-H271 PolarHBondContact O-N 3.38Å; W267-V437 HydrophobicContact CB-CG1 3.63Å
268Q98.2Very high95.8Very high56 Ų5633.3 Ų33.326%0.26217%0.169SC..Hα-helixtrans-70.4-45.3175.1-62.3169.9-59.400111M264 A265 L270 H271 M272M264-Q268 HydrophobicContact SD-CB 4Å; A265-Q268 WeakPolarHBondContact O-CB 3.3Å; A265-Q268 PolarHBondContact O-N 3.36Å; Q268-L270 VanDerWaalsContact C-N 3.25Å; Q268-L270 PolarHBondContact O-N 2.63Å; Q268-H271 PolarHBondContact O-N 3.46Å; Q268-M272 WeakPolarHBondContact O-CB 3.39Å; Q268-M272 PolarHBondContact O-N 3.45Å
269L97.9Very high95.5Very high0 Ų037.1 Ų37.10%018%0.183CC..Iπ-helixtrans-55.9-43.2174.8-69.7179.4000111.3M264 A265 Y273 G274 F275 E277M264-L269 HydrophobicContact CB-CD2 3.55Å; M264-L269 HydrophobicContact CB-CG 3.82Å; M264-L269 HydrophobicContact CG-CD2 4.18Å; A265-L269 PolarHBondContact O-N 3.14Å; L269-Y273 HydrophobicContact CD2-CD2 4.15Å; L269-Y273 CarbonylContact O-C 3.6Å; L269-Y273 WeakPolarHBondContact O-CA 3.49Å; L269-Y273 WeakPolarHBondContact O-CB 3.12Å; L269-Y273 PolarHBondContact O-N 3.03Å; L269-G274 PolarHBondContact O-N 3.33Å; L269-F275 CarbonylContact C-O 3.57Å; L269-F275 WeakPolarHBondContact CB-O 3.43Å; L269-F275 HydrophobicContact CD1-CE2 4.12Å; L269-F275 HydrophobicContact CD1-CZ 4.35Å; L269-F275 HydrophobicContact CD2-CE1 4.23Å; L269-F275 HydrophobicContact CD2-CE2 4.36Å; L269-F275 HydrophobicContact CD2-CZ 3.76Å; L269-F275 HydrophobicContact CG-CZ 4.46Å; L269-F275 PolarHBondContact O-N 3.28Å; L269-E277 HydrophobicContact CD1-CG 4.33Å
270L98.1Very high95.3Very high0 Ų041 Ų410%021%0.209CC..Iπ-helixtrans-69.4-44.1179.1-177.457.6000111.2P127 W130 L139 N266 Q268 G274 F275 T276 R433 V437P127-L270 WeakPolarHBondContact CD-O 3.3Å; P127-L270 HydrophobicContact CG-CD1 4.17Å; P127-L270 HydrophobicContact CG-CD2 4.31Å; P127-L270 HydrophobicContact CG-CG 3.72Å; W130-L270 HydrophobicContact CH2-CD1 4.35Å; W130-L270 HydrophobicContact CH2-CD2 4.22Å; W130-L270 HydrophobicContact CZ2-CD1 4.12Å; L139-L270 HydrophobicContact CD1-CD2 4.03Å; L139-L270 HydrophobicContact CD2-CD2 3.7Å; N266-L270 VanDerWaalsContact O-CB 3.31Å; N266-L270 WeakPolarHBondContact O-CB 3.37Å; N266-L270 PolarHBondContact O-N 3.04Å; Q268-L270 VanDerWaalsContact C-N 3.25Å; Q268-L270 PolarHBondContact O-N 2.63Å; L270-G274 WeakPolarHBondContact O-CA 3.41Å; L270-G274 PolarHBondContact O-N 3.15Å; L270-G274 VanDerWaalsContact O-N 3.1Å; L270-F275 WeakPolarHBondContact CA-O 3.49Å; L270-F275 PolarHBondContact N-O 3.08Å; L270-T276 HydrophobicContact CB-CG2 3.94Å; L270-T276 HydrophobicContact CD1-CG2 4.45Å; L270-R433 HydrophobicContact CD1-CB 3.98Å; L270-R433 HydrophobicContact CD2-CB 4.49Å; L270-V437 HydrophobicContact CB-CG2 4.11Å; L270-V437 HydrophobicContact CD2-CG2 3.71Å
271H98.3Very high95.4Very high20 Ų2043.2 Ų43.29%0.09322%0.216CC..Iπ-helixtrans-64.4-50.6-179.1168.6-125.4000112.5H126 V144 D151 W267 Q268H126-H271 PolarHBondContact CD2-O 2.87Å; H126-H271 VanDerWaalsContact CD2-O 3.3Å; V144-H271 HydrophobicContact CG1-CB 4.33Å; D151-H271 IonicContact OD2-CD2 2.72Å; D151-H271 IonicContact OD2-CE1 3.84Å; D151-H271 IonicContact OD2-NE2 4Å; D151-H271 PolarHBondContact OD2-NE2 3.28Å; W267-H271 WeakPolarHBondContact O-CB 3.26Å; W267-H271 PolarHBondContact O-N 3.38Å; Q268-H271 PolarHBondContact O-N 3.46Å
272M96.7Very high95.6Very high45 Ų4541.6 Ų41.622%0.22221%0.211CC..Iπ-helixtrans-91-29.1-170.8-62.2-61.4-73.700114.1W93 H126 M192 A193 Q268W93-M272 HydrophobicContact CH2-CE 4.48Å; H126-M272 PolarHBondContact CD2-O 2.65Å; H126-M272 VanDerWaalsContact CD2-O 3.29Å; H126-M272 PolarHBondContact NE2-O 3.04Å; M192-M272 CarbonylContact C-O 3.53Å; M192-M272 HydrophobicContact CB-CE 3.81Å; M192-M272 WeakPolarHBondContact CB-O 3.11Å; M192-M272 HydrophobicContact CB-SD 4.36Å; M192-M272 HydrophobicContact CG-CE 3.72Å; M192-M272 HydrophobicContact CG-SD 4.19Å; M192-M272 HydrophobicContact SD-CE 4.02Å; M192-M272 HydrophobicContact SD-SD 3.69Å; M192-M272 VanDerWaalsContact SD-SD 3.69Å; A193-M272 WeakPolarHBondContact CA-O 3.13Å; A193-M272 PolarHBondContact N-O 3.17Å; Q268-M272 WeakPolarHBondContact O-CB 3.39Å; Q268-M272 PolarHBondContact O-N 3.45Å
273Y95.8Very high95.7Very high44 Ų4442.8 Ų42.817%0.17321%0.214CC..Iπ-helixtrans-123.2-9.3-174.2-56-92.4000113.6A193 Y261 L269 F275A193-Y273 VanDerWaalsContact CA-CD1 3.5Å; A193-Y273 HydrophobicContact CB-CD1 4.06Å; A193-Y273 VanDerWaalsContact O-CD1 3.24Å; A193-Y273 WeakPolarHBondContact O-CD1 3.32Å; A193-Y273 VanDerWaalsContact O-CE1 3.24Å; A193-Y273 WeakPolarHBondContact O-CE1 3.37Å; Y261-Y273 AromaticContact CD2-CD1 3.52Å; Y261-Y273 HydrophobicContact CD2-CD1 3.52Å; Y261-Y273 HydrophobicContact CD2-CD2 4.26Å; Y261-Y273 AromaticContact CD2-CE1 3.32Å; Y261-Y273 HydrophobicContact CD2-CE1 3.32Å; Y261-Y273 HydrophobicContact CD2-CE2 4.09Å; Y261-Y273 HydrophobicContact CD2-CG 4.02Å; Y261-Y273 AromaticContact CD2-CZ 3.64Å; Y261-Y273 AromaticContact CE2-CD1 3.56Å; Y261-Y273 HydrophobicContact CE2-CD1 3.56Å; Y261-Y273 AromaticContact CE2-CE1 3.73Å; Y261-Y273 HydrophobicContact CE2-CE1 3.73Å; Y261-Y273 HydrophobicContact CE2-CG 4.22Å; Y261-Y273 AromaticContact CG-CE1 3.93Å; Y261-Y273 HydrophobicContact CG-CE1 3.93Å; L269-Y273 HydrophobicContact CD2-CD2 4.15Å; L269-Y273 CarbonylContact O-C 3.6Å; L269-Y273 WeakPolarHBondContact O-CA 3.49Å; L269-Y273 WeakPolarHBondContact O-CB 3.12Å; L269-Y273 PolarHBondContact O-N 3.03Å; Y273-F275 VanDerWaalsContact C-N 3.31Å; Y273-F275 VanDerWaalsContact CB-CD1 3.46Å; Y273-F275 AromaticContact CG-CE1 3.97Å; Y273-F275 HydrophobicContact CG-CE1 3.97Å; Y273-F275 PolarHBondContact O-N 3.11Å
274G95.1Very high95.9Very high3 Ų337 Ų373%0.03119%0.188CC..SBendtrans74.512.9178.800000114.5L269 L270 R433L269-G274 PolarHBondContact O-N 3.33Å; L270-G274 WeakPolarHBondContact O-CA 3.41Å; L270-G274 PolarHBondContact O-N 3.15Å; L270-G274 VanDerWaalsContact O-N 3.1Å; G274-R433 WeakPolarHBondContact O-CD 3.45Å; G274-R433 PolarHBondContact O-NH1 3.13Å
275F94.3Very high96Very high56 Ų5635.7 Ų35.725%0.24618%0.183CC..  trans-131.5173.9177.679-83.3000112.5H228 Y261 L269 L270 Y273H228-F275 HydrophobicContact CB-CZ 4.05Å; H228-F275 AromaticContact CD2-CZ 3.98Å; Y261-F275 HydrophobicContact CD2-CE1 4.41Å; Y261-F275 HydrophobicContact CD2-CZ 4.47Å; Y261-F275 AromaticContact CE2-CE1 3.99Å; Y261-F275 HydrophobicContact CE2-CE1 3.99Å; Y261-F275 HydrophobicContact CE2-CZ 4.2Å; L269-F275 CarbonylContact C-O 3.57Å; L269-F275 WeakPolarHBondContact CB-O 3.43Å; L269-F275 HydrophobicContact CD1-CE2 4.12Å; L269-F275 HydrophobicContact CD1-CZ 4.35Å; L269-F275 HydrophobicContact CD2-CE1 4.23Å; L269-F275 HydrophobicContact CD2-CE2 4.36Å; L269-F275 HydrophobicContact CD2-CZ 3.76Å; L269-F275 HydrophobicContact CG-CZ 4.46Å; L269-F275 PolarHBondContact O-N 3.28Å; L270-F275 WeakPolarHBondContact CA-O 3.49Å; L270-F275 PolarHBondContact N-O 3.08Å; Y273-F275 VanDerWaalsContact C-N 3.31Å; Y273-F275 VanDerWaalsContact CB-CD1 3.46Å; Y273-F275 AromaticContact CG-CE1 3.97Å; Y273-F275 HydrophobicContact CG-CE1 3.97Å; Y273-F275 PolarHBondContact O-N 3.11Å
276T95.5Very high96Very high19 Ų1936.2 Ų36.212%0.11719%0.185CC..  trans-141145.9175.556.60000108.8N266 L270 R433 Q436 V437N266-T276 HydrophobicContact CB-CG2 4.39Å; L270-T276 HydrophobicContact CB-CG2 3.94Å; L270-T276 HydrophobicContact CD1-CG2 4.45Å; T276-R433 HydrophobicContact CG2-CB 4.06Å; T276-R433 HydrophobicContact CG2-CG 4.32Å; T276-Q436 HydrophobicContact CG2-CB 4.28Å; T276-V437 HydrophobicContact CG2-CG2 3.75Å
277E94.7Very high96Very high11 Ų1136.1 Ų36.15%0.05119%0.185CC..PPolyproline II helixtrans-78.9139.3166.4-83.2-176.5-93.100110.1H228 S230 N266 L269 N282H228-E277 IonicContact NE2-OE1 2.7Å; S230-E277 WeakPolarHBondContact CB-OE1 3.42Å; S230-E277 VanDerWaalsContact N-CD 3.3Å; S230-E277 PolarHBondContact N-OE1 3Å; S230-E277 PolarHBondContact N-OE2 2.91Å; S230-E277 PolarHBondContact OG-OE2 3.47Å; N266-E277 PolarHBondContact ND2-O 2.85Å; N266-E277 PolarHBondContact OD1-N 2.63Å; N266-E277 PolarHBondContact OD1-O 2.79Å; L269-E277 HydrophobicContact CD1-CG 4.33Å; E277-N282 HydrophobicContact CB-CB 3.75Å
278P92.8Very high96Very high58 Ų5836 Ų3638%0.37719%0.187SC..PPolyproline II helixtrans-70.7137.6-179.329.5-33.2000110.7E281P278-E281 HydrophobicContact CG-CB 4.4Å; P278-E281 HydrophobicContact CG-CG 4.13Å; P278-E281 WeakPolarHBondContact O-CA 3.37Å; P278-E281 WeakPolarHBondContact O-CB 3.37Å; P278-E281 WeakPolarHBondContact O-CG 3.47Å; P278-E281 PolarHBondContact O-N 2.82Å
279Y91.7Very high96Very high105 Ų10533.4 Ų33.441%0.41218%0.175SC..THydrogen-bonded Turntrans-60.4137.3170.8-176.3-89.5000111.5F439Y279-F439 HydrophobicContact CD1-CD1 4.33Å; Y279-F439 AromaticContact CD1-CE1 3.7Å; Y279-F439 HydrophobicContact CD1-CE1 3.7Å; Y279-F439 HydrophobicContact CD2-CD1 4.17Å; Y279-F439 HydrophobicContact CD2-CE1 4.08Å; Y279-F439 AromaticContact CE1-CE1 3.85Å; Y279-F439 HydrophobicContact CE1-CE1 3.85Å; Y279-F439 HydrophobicContact CE2-CE1 4.23Å; Y279-F439 AromaticContact CG-CD1 4Å; Y279-F439 HydrophobicContact CG-CD1 4Å; Y279-F439 AromaticContact CG-CE1 3.82Å; Y279-F439 HydrophobicContact CG-CE1 3.82Å
280P93.1Very high95.8Very high85 Ų8535.9 Ų35.955%0.55219%0.191SC*.THydrogen-bonded Turncis-97.928.8239.9-35.7000113.8
281E93.4Very high95.6Very high85 Ų8536.7 Ų36.740%0.39720%0.196SC..SBendtrans-74.2-32.6-169.7-60.5-54.5148.300114.3S230 K231 P278 S283S230-E281 PolarHBondContact OG-O 3.31Å; K231-E281 IonicContact NZ-OE2 2.9Å; K231-E281 PolarHBondContact NZ-OE2 2.91Å; P278-E281 HydrophobicContact CG-CB 4.4Å; P278-E281 HydrophobicContact CG-CG 4.13Å; P278-E281 WeakPolarHBondContact O-CA 3.37Å; P278-E281 WeakPolarHBondContact O-CB 3.37Å; P278-E281 WeakPolarHBondContact O-CG 3.47Å; P278-E281 PolarHBondContact O-N 2.82Å; E281-S283 PolarHBondContact O-N 2.93Å
282N96.6Very high95.3Very high13 Ų1338.9 Ų38.97%0.0722%0.218CC..  trans-71.8101.2176.8-165.6-14.1000110.6M264 N266 E277 N284 D285M264-N282 PolarHBondContact O-ND2 3.42Å; M264-N282 VanDerWaalsContact O-ND2 3.07Å; N266-N282 PolarHBondContact N-ND2 2.94Å; N266-N282 PolarHBondContact OD1-ND2 3.4Å; E277-N282 HydrophobicContact CB-CB 3.75Å; N282-N284 PolarHBondContact O-N 3.26Å; N282-N284 WeakPolarHBondContact OD1-CA 3.35Å; N282-N284 PolarHBondContact OD1-N 3.25Å; N282-D285 HydrophobicContact CB-CB 4.29Å; N282-D285 PolarHBondContact OD1-N 3.11Å
283S94.3Very high95.2Very high56 Ų5637.5 Ų37.539%0.39221%0.213SC..THydrogen-bonded Turntrans-76-9.8175.760.50000114S230 E281S230-S283 PolarHBondContact OG-N 3.48Å; E281-S283 PolarHBondContact O-N 2.93Å
284N96.4Very high95.1Very high40 Ų4035.5 Ų35.521%0.21421%0.205CC..THydrogen-bonded Turntrans-105.915.8-178.3-54.6-31.8000111.5A265 N282A265-N284 WeakPolarHBondContact CA-O 3.47Å; A265-N284 PolarHBondContact N-O 2.91Å; N282-N284 PolarHBondContact O-N 3.26Å; N282-N284 WeakPolarHBondContact OD1-CA 3.35Å; N282-N284 PolarHBondContact OD1-N 3.25Å
285D98Very high94.9Very high13 Ų1338.1 Ų38.17%0.0721%0.214CC..  trans-69.3143.6-178.4-147.57.5000111.2N266 N282 I444N266-D285 WeakPolarHBondContact CB-OD1 3.4Å; N266-D285 PolarHBondContact N-OD1 3.36Å; N266-D285 PolarHBondContact ND2-OD2 2.87Å; N266-D285 VanDerWaalsContact ND2-OD2 3.09Å; N282-D285 HydrophobicContact CB-CB 4.29Å; N282-D285 PolarHBondContact OD1-N 3.11Å; D285-I444 WeakPolarHBondContact O-CD1 3.48Å
286T98.4Very high94.9Very high10 Ų1040.4 Ų40.46%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-137.4160.6-176.169.20000112.2A265 V329 F330 L336 Q441A265-T286 HydrophobicContact CB-CG2 4.19Å; A265-T286 WeakPolarHBondContact CB-OG1 3.46Å; T286-V329 HydrophobicContact CG2-CG1 3.7Å; T286-F330 CarbonylContact C-O 3.55Å; T286-F330 WeakPolarHBondContact CA-O 3.36Å; T286-F330 WeakPolarHBondContact CB-O 3.16Å; T286-L336 HydrophobicContact CG2-CD1 3.84Å; T286-Q441 VanDerWaalsContact O-CG 3.26Å; T286-Q441 WeakPolarHBondContact O-CG 3.49Å
287A98.4Very high94.8Very high0 Ų039.6 Ų39.60%022%0.22CC..EExtended strand (participates in β ladder)trans-128.2133.1167.600000110.6F330 Q441 I444 L445A287-F330 PolarHBondContact N-O 2.79Å; A287-F330 PolarHBondContact O-N 3.48Å; A287-Q441 HydrophobicContact CB-CB 4.1Å; A287-Q441 HydrophobicContact CB-CG 4.24Å; A287-I444 HydrophobicContact CB-CB 3.97Å; A287-I444 HydrophobicContact CB-CG2 3.87Å; A287-L445 HydrophobicContact CB-CD1 4.33Å; A287-L445 HydrophobicContact CB-CD2 4.08Å; A287-L445 HydrophobicContact CB-CG 3.77Å
288D98.1Very high94.6Very high36 Ų3639.6 Ų39.619%0.19322%0.222CC..EExtended strand (participates in β ladder)trans-94.6134.2-177.4-65.23.1000110.2A327 F328 T402D288-A327 HydrophobicContact CB-CB 3.87Å; D288-F328 CarbonylContact C-O 3.42Å; D288-F328 WeakPolarHBondContact CA-O 3.49Å; D288-T402 VanDerWaalsContact O-CG2 3.31Å; D288-T402 WeakPolarHBondContact O-CG2 3.47Å
289I97.7Very high94.6Very high3 Ų338 Ų382%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-107.1104.8168.3-62.8-174.3000107.8V291 C293 A327 F328 F330 A398 A399 L445 L448I289-V291 PolarHBondContact O-N 2.84Å; I289-C293 HydrophobicContact CG2-CB 4.3Å; I289-A327 CarbonylContact O-C 3.56Å; I289-A327 VanDerWaalsContact O-CA 3.32Å; I289-A327 WeakPolarHBondContact O-CA 3.34Å; I289-F328 HydrophobicContact CB-CB 4.47Å; I289-F328 PolarHBondContact N-O 2.88Å; I289-F328 PolarHBondContact O-N 2.92Å; I289-F330 HydrophobicContact CB-CE2 4.47Å; I289-F330 HydrophobicContact CD1-CD2 3.89Å; I289-F330 HydrophobicContact CD1-CE2 3.64Å; I289-F330 HydrophobicContact CD1-CZ 4.38Å; I289-F330 HydrophobicContact CG1-CD2 4.09Å; I289-F330 HydrophobicContact CG1-CE2 4.14Å; I289-A398 HydrophobicContact CG2-CB 3.77Å; I289-A399 HydrophobicContact CD1-CB 3.84Å; I289-L445 HydrophobicContact CD1-CD2 4.15Å; I289-L445 HydrophobicContact CG1-CD2 3.89Å; I289-L448 HydrophobicContact CD1-CD2 3.49Å; I289-L448 VanDerWaalsContact CD1-CD2 3.49Å
290P95.6Very high94.4Very high51 Ų5137.2 Ų37.233%0.33121%0.214SC..EExtended strand (participates in β ladder)trans-55.9139.6178.3-25.434.2000111.2A292 C293 L294P290-A292 PolarHBondContact O-N 3.41Å; P290-A292 VanDerWaalsContact O-N 3.09Å; P290-C293 WeakPolarHBondContact O-CA 3.42Å; P290-C293 WeakPolarHBondContact O-CB 3.2Å; P290-C293 PolarHBondContact O-N 3.04Å; P290-L294 PolarHBondContact O-N 3.25Å
291V93.6Very high93.7Very high17 Ų1736.4 Ų36.410%0.10321%0.205CC..Hα-helixtrans-55.3-32.6175.8171.90000111I289 C293 L294 Y295 L318 M322 A326 F328I289-V291 PolarHBondContact O-N 2.84Å; V291-C293 VanDerWaalsContact C-N 3.26Å; V291-C293 PolarHBondContact O-N 2.77Å; V291-L294 WeakPolarHBondContact O-CB 3.42Å; V291-L294 PolarHBondContact O-N 3.21Å; V291-L294 VanDerWaalsContact O-N 3.1Å; V291-Y295 PolarHBondContact O-N 3.23Å; V291-L318 HydrophobicContact CG1-CD2 4.45Å; V291-M322 HydrophobicContact CB-SD 4.3Å; V291-M322 HydrophobicContact CG1-SD 3.8Å; V291-M322 HydrophobicContact CG2-SD 3.47Å; V291-M322 WeakPolarHBondContact CG2-SD 3.28Å; V291-A326 HydrophobicContact CG2-CB 3.93Å; V291-A326 VanDerWaalsContact CG2-O 3.28Å; V291-A326 WeakPolarHBondContact CG2-O 3.42Å; V291-A326 PolarHBondContact N-O 3.43Å; V291-F328 HydrophobicContact CB-CE2 4.42Å; V291-F328 HydrophobicContact CG2-CD2 4.41Å; V291-F328 HydrophobicContact CG2-CE2 3.78Å; V291-F328 HydrophobicContact CG2-CZ 3.86Å
292A92Very high93.3Very high66 Ų6633.9 Ų33.955%0.54520%0.196SC..Hα-helixtrans-58.8-32.5173.300000113.8P290 Q296P290-A292 PolarHBondContact O-N 3.41Å; P290-A292 VanDerWaalsContact O-N 3.09Å; A292-Q296 WeakPolarHBondContact O-CB 3.24Å; A292-Q296 PolarHBondContact O-N 3.23Å
293C94.7Very high92.8Very high17 Ų1740.9 Ų40.912%0.11523%0.228CC..Hα-helixtrans-72-38175.1-68.30000111.3I289 P290 V291 Q296 A297 A398 L401I289-C293 HydrophobicContact CG2-CB 4.3Å; P290-C293 WeakPolarHBondContact O-CA 3.42Å; P290-C293 WeakPolarHBondContact O-CB 3.2Å; P290-C293 PolarHBondContact O-N 3.04Å; V291-C293 VanDerWaalsContact C-N 3.26Å; V291-C293 PolarHBondContact O-N 2.77Å; C293-Q296 PolarHBondContact O-N 3.47Å; C293-A297 WeakPolarHBondContact O-CB 3.24Å; C293-A297 PolarHBondContact O-N 3.1Å; C293-A398 HydrophobicContact CB-CB 4.39Å; C293-L401 HydrophobicContact CB-CB 4.2Å; C293-L401 WeakPolarHBondContact O-CD1 3.36Å
294L93.6Very high92.6Very high2 Ų240.5 Ų40.51%0.0123%0.225CC..Hα-helixtrans-64.6-43.1173.2-172.569000111.3P290 V291 Q296 A297 A298 F328 L341 A344 L345 L348 L394 A398P290-L294 PolarHBondContact O-N 3.25Å; V291-L294 WeakPolarHBondContact O-CB 3.42Å; V291-L294 PolarHBondContact O-N 3.21Å; V291-L294 VanDerWaalsContact O-N 3.1Å; L294-Q296 PolarHBondContact O-N 2.91Å; L294-A297 WeakPolarHBondContact O-CB 3.3Å; L294-A297 PolarHBondContact O-N 3.05Å; L294-A298 PolarHBondContact O-N 3.09Å; L294-F328 HydrophobicContact CB-CE2 4.03Å; L294-F328 HydrophobicContact CD2-CD2 4.48Å; L294-F328 HydrophobicContact CD2-CE2 3.46Å; L294-F328 VanDerWaalsContact CD2-CE2 3.46Å; L294-F328 HydrophobicContact CD2-CZ 3.75Å; L294-F328 HydrophobicContact CG-CE2 4.33Å; L294-L341 HydrophobicContact CD2-CD1 4.5Å; L294-A344 HydrophobicContact CD2-CB 3.93Å; L294-L345 HydrophobicContact CD1-CD2 4.19Å; L294-L348 HydrophobicContact CD2-CD1 3.8Å; L294-L348 HydrophobicContact CG-CD1 3.94Å; L294-L394 HydrophobicContact CD1-CB 3.92Å; L294-A398 HydrophobicContact CB-CB 4.35Å; L294-A398 HydrophobicContact CD1-CB 4.15Å
295Y90.9Very high92.2Very high57 Ų5745.3 Ų45.322%0.22425%0.246CC..Hα-helixtrans-57.2-50.4172.7173.3-102.8000111.8V291 A297 A298 A299 R308 F311 F315V291-Y295 PolarHBondContact O-N 3.23Å; Y295-A297 VanDerWaalsContact C-N 3.26Å; Y295-A297 PolarHBondContact O-N 2.9Å; Y295-A298 PolarHBondContact O-N 3.27Å; Y295-A299 WeakPolarHBondContact O-CB 3.49Å; Y295-A299 PolarHBondContact O-N 3.29Å; Y295-R308 PolarHBondContact OH-NH2 3.19Å; Y295-F311 AromaticContact CD2-CE1 3.79Å; Y295-F311 HydrophobicContact CD2-CE1 3.79Å; Y295-F311 HydrophobicContact CD2-CE2 4.37Å; Y295-F311 AromaticContact CD2-CZ 3.37Å; Y295-F311 HydrophobicContact CD2-CZ 3.37Å; Y295-F311 HydrophobicContact CE2-CD1 4.26Å; Y295-F311 AromaticContact CE2-CE1 3.15Å; Y295-F311 HydrophobicContact CE2-CE1 3.15Å; Y295-F311 HydrophobicContact CE2-CE2 4.45Å; Y295-F311 AromaticContact CE2-CZ 3.28Å; Y295-F311 HydrophobicContact CE2-CZ 3.28Å; Y295-F311 HydrophobicContact CG-CZ 4.29Å; Y295-F311 AromaticContact CZ-CE1 3.68Å; Y295-F315 HydrophobicContact CD1-CZ 4.48Å; Y295-F315 HydrophobicContact CD2-CB 4.08Å; Y295-F315 AromaticContact CD2-CD1 3.58Å; Y295-F315 HydrophobicContact CD2-CD1 3.58Å; Y295-F315 AromaticContact CD2-CD2 3.18Å; Y295-F315 HydrophobicContact CD2-CD2 3.18Å; Y295-F315 AromaticContact CD2-CE1 3.7Å; Y295-F315 HydrophobicContact CD2-CE1 3.7Å; Y295-F315 AromaticContact CD2-CE2 3.32Å; Y295-F315 HydrophobicContact CD2-CE2 3.32Å; Y295-F315 AromaticContact CD2-CG 3.3Å; Y295-F315 HydrophobicContact CD2-CG 3.3Å; Y295-F315 AromaticContact CD2-CZ 3.57Å; Y295-F315 HydrophobicContact CD2-CZ 3.57Å; Y295-F315 HydrophobicContact CE2-CB 3.93Å; Y295-F315 AromaticContact CE2-CD1 3.33Å; Y295-F315 HydrophobicContact CE2-CD1 3.33Å; Y295-F315 AromaticContact CE2-CD2 3.82Å; Y295-F315 HydrophobicContact CE2-CD2 3.82Å; Y295-F315 AromaticContact CE2-CE1 3.69Å; Y295-F315 HydrophobicContact CE2-CE1 3.69Å; Y295-F315 HydrophobicContact CE2-CE2 4.14Å; Y295-F315 AromaticContact CE2-CG 3.37Å; Y295-F315 HydrophobicContact CE2-CG 3.37Å; Y295-F315 HydrophobicContact CE2-CZ 4.07Å; Y295-F315 HydrophobicContact CG-CD2 4.01Å; Y295-F315 HydrophobicContact CG-CE1 4.2Å; Y295-F315 AromaticContact CG-CE2 3.68Å; Y295-F315 HydrophobicContact CG-CE2 3.68Å; Y295-F315 HydrophobicContact CG-CG 4.4Å; Y295-F315 AromaticContact CG-CZ 3.77Å; Y295-F315 HydrophobicContact CG-CZ 3.77Å
296Q93Very high91.7Very high105 Ų10548.9 Ų48.949%0.49127%0.27SS..Hα-helixtrans-63.8-33.8179.9-178.6179.2-4.500111.8A292 C293 L294 Q300 L401A292-Q296 WeakPolarHBondContact O-CB 3.24Å; A292-Q296 PolarHBondContact O-N 3.23Å; C293-Q296 PolarHBondContact O-N 3.47Å; L294-Q296 PolarHBondContact O-N 2.91Å; Q296-Q300 WeakPolarHBondContact O-CG 3.38Å; Q296-Q300 PolarHBondContact O-NE2 3.27Å; Q296-L401 HydrophobicContact CB-CD1 3.8Å; Q296-L401 HydrophobicContact CG-CD1 3.67Å; Q296-L401 HydrophobicContact CG-CD2 4.46Å
297A93.7Very high91.1Very high1 Ų152.8 Ų52.81%0.00829%0.288CS..Hα-helixtrans-63.5-51.317300000111.3C293 L294 Y295 A299 Q300 L394 E397 A398 L401C293-A297 WeakPolarHBondContact O-CB 3.24Å; C293-A297 PolarHBondContact O-N 3.1Å; L294-A297 WeakPolarHBondContact O-CB 3.3Å; L294-A297 PolarHBondContact O-N 3.05Å; Y295-A297 VanDerWaalsContact C-N 3.26Å; Y295-A297 PolarHBondContact O-N 2.9Å; A297-A299 VanDerWaalsContact C-N 3.33Å; A297-A299 PolarHBondContact O-N 3.14Å; A297-Q300 WeakPolarHBondContact O-CB 3.47Å; A297-Q300 PolarHBondContact O-N 2.99Å; A297-L394 HydrophobicContact CB-CD2 4.34Å; A297-E397 HydrophobicContact CB-CB 3.77Å; A297-E397 HydrophobicContact CB-CG 3.61Å; A297-A398 HydrophobicContact CB-CB 4.36Å; A297-L401 HydrophobicContact CB-CD1 4.27Å
298A91.9Very high90.7Very high11 Ų1156.7 Ų56.79%0.09130%0.303CS..Hα-helixtrans-65.8-33.6-178.900000113.3L294 Y295 Q300 D301 F311 L348 L394L294-A298 PolarHBondContact O-N 3.09Å; Y295-A298 PolarHBondContact O-N 3.27Å; A298-Q300 PolarHBondContact O-N 3.24Å; A298-D301 PolarHBondContact O-N 2.95Å; A298-F311 HydrophobicContact CB-CD2 4.44Å; A298-F311 HydrophobicContact CB-CE2 3.5Å; A298-F311 VanDerWaalsContact CB-CE2 3.5Å; A298-F311 HydrophobicContact CB-CZ 4.09Å; A298-L348 HydrophobicContact CB-CD1 4.44Å; A298-L394 VanDerWaalsContact CA-CD2 3.49Å; A298-L394 HydrophobicContact CB-CD2 3.67Å
299A90.8Very high90.2Very high24 Ų2460.8 Ų60.820%0.19832%0.32CS..G310 helixtrans-66.5-18177.700000113.8Y295 A297 D301 F311Y295-A299 WeakPolarHBondContact O-CB 3.49Å; Y295-A299 PolarHBondContact O-N 3.29Å; A297-A299 VanDerWaalsContact C-N 3.33Å; A297-A299 PolarHBondContact O-N 3.14Å; A299-D301 VanDerWaalsContact C-N 3.27Å; A299-D301 PolarHBondContact O-N 3.12Å; A299-F311 HydrophobicContact CB-CE1 3.79Å; A299-F311 HydrophobicContact CB-CZ 3.83Å
300Q88.1Confident89.7Confident89 Ų8961.9 Ų61.942%0.41633%0.326SS..G310 helixtrans-69.7-23.5-179.7-72.2175.143.200113Q296 A297 A298 Q303 E397Q296-Q300 WeakPolarHBondContact O-CG 3.38Å; Q296-Q300 PolarHBondContact O-NE2 3.27Å; A297-Q300 WeakPolarHBondContact O-CB 3.47Å; A297-Q300 PolarHBondContact O-N 2.99Å; A298-Q300 PolarHBondContact O-N 3.24Å; Q300-Q303 PolarHBondContact O-NE2 3.44Å; Q300-E397 PolarHBondContact NE2-OE1 3.5Å; Q300-E397 PolarHBondContact OE1-OE1 3.25Å
301D79.4Confident89.5Confident68 Ų6860.1 Ų60.136%0.36431%0.313SS..G310 helixtrans-93.4-7.6-174.8-55-67.8000114A298 A299 Q303 R393A298-D301 PolarHBondContact O-N 2.95Å; A299-D301 VanDerWaalsContact C-N 3.27Å; A299-D301 PolarHBondContact O-N 3.12Å; D301-Q303 WeakPolarHBondContact O-CG 3.32Å; D301-Q303 PolarHBondContact O-N 3.1Å; D301-Q303 VanDerWaalsContact O-N 3.13Å; D301-R393 VanDerWaalsContact CG-CZ 3.46Å; D301-R393 VanDerWaalsContact CG-NH2 3.26Å; D301-R393 IonicContact OD1-CZ 3.45Å; D301-R393 IonicContact OD1-NH1 2.72Å; D301-R393 PolarHBondContact OD1-NH1 3.38Å; D301-R393 IonicContact OD1-NH2 3.67Å; D301-R393 IonicContact OD2-CZ 3.03Å; D301-R393 IonicContact OD2-NH1 2.66Å; D301-R393 PolarHBondContact OD2-NH1 3.47Å; D301-R393 IonicContact OD2-NH2 2.72Å; D301-R393 PolarHBondContact OD2-NH2 3.18Å
302V84.6Confident89.2Confident33 Ų3362.3 Ų62.320%0.233%0.325CS..  trans-71.2108.8178.6179.50000109E307 R308 F311V302-E307 HydrophobicContact CG1-CB 4.03Å; V302-R308 VanDerWaalsContact CG1-CA 3.45Å; V302-R308 HydrophobicContact CG1-CB 3.58Å; V302-R308 HydrophobicContact CG1-CG 4.29Å; V302-F311 HydrophobicContact CG2-CB 4.05Å; V302-F311 HydrophobicContact CG2-CD1 4.24Å; V302-F311 HydrophobicContact CG2-CG 4.02Å
303Q86.6Confident89.2Confident160 Ų16063.2 Ų63.275%0.74832%0.317SS*.  trans-103.8-14.1-177.1-60-55.7-5200112.8Q300 D301 E307Q300-Q303 PolarHBondContact O-NE2 3.44Å; D301-Q303 WeakPolarHBondContact O-CG 3.32Å; D301-Q303 PolarHBondContact O-N 3.1Å; D301-Q303 VanDerWaalsContact O-N 3.13Å; Q303-E307 PolarHBondContact N-OE2 3.5Å
304S89.4Confident89Confident47 Ų4763.3 Ų63.333%0.32932%0.315SS..SBendtrans-136.1157.5-175.869.60000113.7E307 R308S304-E307 PolarHBondContact N-OE2 3.23Å; S304-E307 PolarHBondContact O-N 2.86Å; S304-E307 VanDerWaalsContact OG-CG 3.24Å; S304-E307 WeakPolarHBondContact OG-CG 3.44Å; S304-E307 PolarHBondContact OG-N 3.3Å; S304-E307 PolarHBondContact OG-OE2 3.21Å; S304-R308 PolarHBondContact O-N 3.03Å
305E88Confident88.7Confident141 Ų14165.5 Ų65.566%0.65933%0.325SS*.Hα-helixtrans-58.4-42.2176.7-74.9-70.3149.900113.6R308 Q309E305-R308 WeakPolarHBondContact O-CB 3.45Å; E305-R308 PolarHBondContact O-N 3.27Å; E305-Q309 WeakPolarHBondContact O-CG 3.44Å; E305-Q309 PolarHBondContact O-N 3.49Å
306P87Confident88.6Confident88 Ų8869.3 Ų69.357%0.57134%0.342SS*.Hα-helixtrans-63.9-41.7175.7-23.135.2000113.3R308 Q309 L310P306-R308 PolarHBondContact O-N 2.79Å; P306-Q309 PolarHBondContact O-N 3.1Å; P306-L310 PolarHBondContact O-N 3.42Å; P306-L310 VanDerWaalsContact O-N 3.14Å
307E86.4Confident88.5Confident93 Ų9365.7 Ų65.744%0.43533%0.328SS..Hα-helixtrans-62.1-36.4174.3-72.4164.7174.300111.1V302 Q303 S304 F311V302-E307 HydrophobicContact CG1-CB 4.03Å; Q303-E307 PolarHBondContact N-OE2 3.5Å; S304-E307 PolarHBondContact N-OE2 3.23Å; S304-E307 PolarHBondContact O-N 2.86Å; S304-E307 VanDerWaalsContact OG-CG 3.24Å; S304-E307 WeakPolarHBondContact OG-CG 3.44Å; S304-E307 PolarHBondContact OG-N 3.3Å; S304-E307 PolarHBondContact OG-OE2 3.21Å; E307-F311 VanDerWaalsContact O-CB 3.25Å; E307-F311 WeakPolarHBondContact O-CB 3.39Å; E307-F311 PolarHBondContact O-N 3.32Å
308R88.8Confident88.2Confident82 Ų8265.9 Ų65.931%0.30933%0.328SS..Hα-helixtrans-64.2-45.1177.5-17366.1-165.4-163.79.1112.1Y295 V302 S304 E305 P306 F311 D312Y295-R308 PolarHBondContact OH-NH2 3.19Å; V302-R308 VanDerWaalsContact CG1-CA 3.45Å; V302-R308 HydrophobicContact CG1-CB 3.58Å; V302-R308 HydrophobicContact CG1-CG 4.29Å; S304-R308 PolarHBondContact O-N 3.03Å; E305-R308 WeakPolarHBondContact O-CB 3.45Å; E305-R308 PolarHBondContact O-N 3.27Å; P306-R308 PolarHBondContact O-N 2.79Å; R308-F311 PolarHBondContact O-N 3.32Å; R308-D312 IonicContact CZ-OD1 2.71Å; R308-D312 IonicContact NE-OD1 3.17Å; R308-D312 PolarHBondContact NE-OD1 3.01Å; R308-D312 IonicContact NE-OD2 3.76Å; R308-D312 PolarHBondContact NE-OD2 3.49Å; R308-D312 VanDerWaalsContact NE-OD2 3.17Å; R308-D312 IonicContact NH2-OD1 2.77Å; R308-D312 PolarHBondContact NH2-OD1 3.41Å; R308-D312 VanDerWaalsContact NH2-OD1 3.15Å; R308-D312 IonicContact NH2-OD2 3.54Å; R308-D312 WeakPolarHBondContact O-CB 3.5Å; R308-D312 PolarHBondContact O-N 3.3Å
309Q87.9Confident87.9Confident121 Ų12168.1 Ų68.157%0.56534%0.344SS*.Hα-helixtrans-60.9-48.1178.1-71.3173.5800111.2E305 P306 F311 D312 E313E305-Q309 WeakPolarHBondContact O-CG 3.44Å; E305-Q309 PolarHBondContact O-N 3.49Å; P306-Q309 PolarHBondContact O-N 3.1Å; Q309-F311 VanDerWaalsContact C-N 3.35Å; Q309-F311 PolarHBondContact O-N 2.7Å; Q309-D312 PolarHBondContact O-N 2.9Å; Q309-E313 WeakPolarHBondContact O-CG 3.34Å; Q309-E313 PolarHBondContact O-N 2.73Å
310L88.3Confident87.8Confident26 Ų2673.9 Ų73.914%0.13637%0.366CS..Hα-helixtrans-61-43.1177.2179.255.9000112.3P306 E313 R314 Q352 F355P306-L310 PolarHBondContact O-N 3.42Å; P306-L310 VanDerWaalsContact O-N 3.14Å; L310-E313 PolarHBondContact O-N 3.29Å; L310-R314 WeakPolarHBondContact O-CG 3.35Å; L310-R314 PolarHBondContact O-N 3.41Å; L310-Q352 HydrophobicContact CD2-CB 4.13Å; L310-F355 HydrophobicContact CD1-CB 4.47Å; L310-F355 HydrophobicContact CD1-CD1 3.54Å; L310-F355 HydrophobicContact CD1-CE1 4.11Å; L310-F355 HydrophobicContact CD1-CG 4.28Å
311F89.9Confident87.6Confident15 Ų1574.6 Ų74.67%0.06637%0.371CS..Hα-helixtrans-62-47.5176.9173-104.6000112.4Y295 A298 A299 V302 E307 R308 Q309 E313 R314 F315 L348Y295-F311 AromaticContact CD2-CE1 3.79Å; Y295-F311 HydrophobicContact CD2-CE1 3.79Å; Y295-F311 HydrophobicContact CD2-CE2 4.37Å; Y295-F311 AromaticContact CD2-CZ 3.37Å; Y295-F311 HydrophobicContact CD2-CZ 3.37Å; Y295-F311 HydrophobicContact CE2-CD1 4.26Å; Y295-F311 AromaticContact CE2-CE1 3.15Å; Y295-F311 HydrophobicContact CE2-CE1 3.15Å; Y295-F311 HydrophobicContact CE2-CE2 4.45Å; Y295-F311 AromaticContact CE2-CZ 3.28Å; Y295-F311 HydrophobicContact CE2-CZ 3.28Å; Y295-F311 HydrophobicContact CG-CZ 4.29Å; Y295-F311 AromaticContact CZ-CE1 3.68Å; A298-F311 HydrophobicContact CB-CD2 4.44Å; A298-F311 HydrophobicContact CB-CE2 3.5Å; A298-F311 VanDerWaalsContact CB-CE2 3.5Å; A298-F311 HydrophobicContact CB-CZ 4.09Å; A299-F311 HydrophobicContact CB-CE1 3.79Å; A299-F311 HydrophobicContact CB-CZ 3.83Å; V302-F311 HydrophobicContact CG2-CB 4.05Å; V302-F311 HydrophobicContact CG2-CD1 4.24Å; V302-F311 HydrophobicContact CG2-CG 4.02Å; E307-F311 VanDerWaalsContact O-CB 3.25Å; E307-F311 WeakPolarHBondContact O-CB 3.39Å; E307-F311 PolarHBondContact O-N 3.32Å; R308-F311 PolarHBondContact O-N 3.32Å; Q309-F311 VanDerWaalsContact C-N 3.35Å; Q309-F311 PolarHBondContact O-N 2.7Å; F311-E313 VanDerWaalsContact C-N 3.27Å; F311-E313 PolarHBondContact O-N 3.29Å; F311-R314 PolarHBondContact O-N 3.04Å; F311-F315 WeakPolarHBondContact O-CB 3.26Å; F311-F315 PolarHBondContact O-N 3.48Å; F311-L348 HydrophobicContact CE2-CD2 4.12Å
312D89.1Confident87.9Confident63 Ų6373.1 Ų73.134%0.33736%0.362SS..Hα-helixtrans-64.9-33179.9-70.9-29000111R308 Q309 K316R308-D312 IonicContact CZ-OD1 2.71Å; R308-D312 IonicContact NE-OD1 3.17Å; R308-D312 PolarHBondContact NE-OD1 3.01Å; R308-D312 IonicContact NE-OD2 3.76Å; R308-D312 PolarHBondContact NE-OD2 3.49Å; R308-D312 VanDerWaalsContact NE-OD2 3.17Å; R308-D312 IonicContact NH2-OD1 2.77Å; R308-D312 PolarHBondContact NH2-OD1 3.41Å; R308-D312 VanDerWaalsContact NH2-OD1 3.15Å; R308-D312 IonicContact NH2-OD2 3.54Å; R308-D312 WeakPolarHBondContact O-CB 3.5Å; R308-D312 PolarHBondContact O-N 3.3Å; Q309-D312 PolarHBondContact O-N 2.9Å; D312-K316 WeakPolarHBondContact O-CB 3.21Å; D312-K316 PolarHBondContact O-N 3Å
313E90.6Very high87.8Confident84 Ų8479.7 Ų79.739%0.39339%0.391SS..Hα-helixtrans-65.5-48.4172.4-74.4-174.5-162.600112.8Q309 L310 F311 F315 K316 V317 F355 R359Q309-E313 WeakPolarHBondContact O-CG 3.34Å; Q309-E313 PolarHBondContact O-N 2.73Å; L310-E313 PolarHBondContact O-N 3.29Å; F311-E313 VanDerWaalsContact C-N 3.27Å; F311-E313 PolarHBondContact O-N 3.29Å; E313-F315 VanDerWaalsContact C-N 3.34Å; E313-F315 PolarHBondContact O-N 3.33Å; E313-K316 WeakPolarHBondContact O-CB 2.98Å; E313-K316 PolarHBondContact O-N 2.93Å; E313-V317 PolarHBondContact O-N 3.13Å; E313-F355 HydrophobicContact CB-CE1 3.81Å; E313-F355 HydrophobicContact CB-CZ 4.07Å; E313-R359 IonicContact OE2-NH1 3.97Å; E313-R359 PolarHBondContact OE2-NH1 3.15Å
314R91.4Very high87.4Confident20 Ų2080.6 Ų80.68%0.07540%0.395CS..Hα-helixtrans-61.7-42.7176.7-71.1165.7-178-172.21.3112L310 F311 K316 V317 L318 L347 L348 M350 S351 F355L310-R314 WeakPolarHBondContact O-CG 3.35Å; L310-R314 PolarHBondContact O-N 3.41Å; F311-R314 PolarHBondContact O-N 3.04Å; R314-K316 VanDerWaalsContact C-N 3.29Å; R314-K316 PolarHBondContact O-N 3.33Å; R314-V317 WeakPolarHBondContact O-CB 3.38Å; R314-V317 PolarHBondContact O-N 3.32Å; R314-L318 PolarHBondContact O-N 2.71Å; R314-L347 HydrophobicContact CB-CG 4.44Å; R314-L347 WeakPolarHBondContact CD-O 3.29Å; R314-L348 PolarHBondContact NH1-O 2.9Å; R314-M350 PolarHBondContact NH1-O 3.3Å; R314-M350 PolarHBondContact NH2-O 3.23Å; R314-S351 PolarHBondContact NH2-O 2.77Å; R314-F355 HydrophobicContact CB-CE2 4.44Å; R314-F355 HydrophobicContact CG-CD1 4.2Å; R314-F355 HydrophobicContact CG-CD2 3.82Å; R314-F355 HydrophobicContact CG-CE1 4.1Å; R314-F355 HydrophobicContact CG-CE2 3.69Å; R314-F355 HydrophobicContact CG-CG 4.05Å; R314-F355 HydrophobicContact CG-CZ 3.83Å
315F87.1Confident87Confident47 Ų4785.4 Ų85.421%0.20642%0.417CS..Hα-helixtrans-66.4-34.1179.1-178-112.3000112.4Y295 F311 E313 V317 L318 S319Y295-F315 HydrophobicContact CD1-CZ 4.48Å; Y295-F315 HydrophobicContact CD2-CB 4.08Å; Y295-F315 AromaticContact CD2-CD1 3.58Å; Y295-F315 HydrophobicContact CD2-CD1 3.58Å; Y295-F315 AromaticContact CD2-CD2 3.18Å; Y295-F315 HydrophobicContact CD2-CD2 3.18Å; Y295-F315 AromaticContact CD2-CE1 3.7Å; Y295-F315 HydrophobicContact CD2-CE1 3.7Å; Y295-F315 AromaticContact CD2-CE2 3.32Å; Y295-F315 HydrophobicContact CD2-CE2 3.32Å; Y295-F315 AromaticContact CD2-CG 3.3Å; Y295-F315 HydrophobicContact CD2-CG 3.3Å; Y295-F315 AromaticContact CD2-CZ 3.57Å; Y295-F315 HydrophobicContact CD2-CZ 3.57Å; Y295-F315 HydrophobicContact CE2-CB 3.93Å; Y295-F315 AromaticContact CE2-CD1 3.33Å; Y295-F315 HydrophobicContact CE2-CD1 3.33Å; Y295-F315 AromaticContact CE2-CD2 3.82Å; Y295-F315 HydrophobicContact CE2-CD2 3.82Å; Y295-F315 AromaticContact CE2-CE1 3.69Å; Y295-F315 HydrophobicContact CE2-CE1 3.69Å; Y295-F315 HydrophobicContact CE2-CE2 4.14Å; Y295-F315 AromaticContact CE2-CG 3.37Å; Y295-F315 HydrophobicContact CE2-CG 3.37Å; Y295-F315 HydrophobicContact CE2-CZ 4.07Å; Y295-F315 HydrophobicContact CG-CD2 4.01Å; Y295-F315 HydrophobicContact CG-CE1 4.2Å; Y295-F315 AromaticContact CG-CE2 3.68Å; Y295-F315 HydrophobicContact CG-CE2 3.68Å; Y295-F315 HydrophobicContact CG-CG 4.4Å; Y295-F315 AromaticContact CG-CZ 3.77Å; Y295-F315 HydrophobicContact CG-CZ 3.77Å; F311-F315 WeakPolarHBondContact O-CB 3.26Å; F311-F315 PolarHBondContact O-N 3.48Å; E313-F315 VanDerWaalsContact C-N 3.34Å; E313-F315 PolarHBondContact O-N 3.33Å; F315-V317 VanDerWaalsContact C-N 3.32Å; F315-V317 PolarHBondContact O-N 3.35Å; F315-L318 HydrophobicContact CD2-CD2 4.31Å; F315-L318 PolarHBondContact O-N 3.1Å; F315-S319 WeakPolarHBondContact CE1-OG 3.49Å; F315-S319 WeakPolarHBondContact CZ-OG 3.28Å; F315-S319 WeakPolarHBondContact O-CB 3.43Å; F315-S319 PolarHBondContact O-N 3.28Å; F315-S319 PolarHBondContact O-OG 2.9Å
316K89.2Confident87.1Confident137 Ų13780.1 Ų80.160%0.59640%0.398SS*.Hα-helixtrans-61.3-42.8173.5-175.6-177.5176.6-171.90111.4D312 E313 R314 S319 Q320D312-K316 WeakPolarHBondContact O-CB 3.21Å; D312-K316 PolarHBondContact O-N 3Å; E313-K316 WeakPolarHBondContact O-CB 2.98Å; E313-K316 PolarHBondContact O-N 2.93Å; R314-K316 VanDerWaalsContact C-N 3.29Å; R314-K316 PolarHBondContact O-N 3.33Å; K316-S319 PolarHBondContact O-N 2.68Å; K316-Q320 WeakPolarHBondContact O-CG 3.17Å; K316-Q320 PolarHBondContact O-N 3.27Å
317V90.4Very high87.5Confident30 Ų3077.4 Ų77.418%0.18238%0.382CS..Hα-helixtrans-62.4-48.8174.6175.80000110.1E313 R314 F315 S319 Q320 M321 L347 F355 F358E313-V317 PolarHBondContact O-N 3.13Å; R314-V317 WeakPolarHBondContact O-CB 3.38Å; R314-V317 PolarHBondContact O-N 3.32Å; F315-V317 VanDerWaalsContact C-N 3.32Å; F315-V317 PolarHBondContact O-N 3.35Å; V317-S319 VanDerWaalsContact C-N 3.28Å; V317-S319 PolarHBondContact O-N 3.06Å; V317-Q320 WeakPolarHBondContact O-CB 3.38Å; V317-Q320 PolarHBondContact O-N 3.13Å; V317-M321 HydrophobicContact CG1-SD 3.97Å; V317-M321 WeakPolarHBondContact O-CG 3.44Å; V317-M321 PolarHBondContact O-N 2.82Å; V317-M321 VanDerWaalsContact O-N 3.14Å; V317-L347 HydrophobicContact CB-CD2 4.06Å; V317-L347 HydrophobicContact CG1-CD1 4.37Å; V317-L347 HydrophobicContact CG1-CD2 3.86Å; V317-F355 HydrophobicContact CG2-CE2 4.27Å; V317-F355 HydrophobicContact CG2-CZ 4.23Å; V317-F358 HydrophobicContact CG1-CE1 4.01Å; V317-F358 HydrophobicContact CG1-CZ 4.47Å
318L88.2Confident88Confident4 Ų473.1 Ų73.12%0.02136%0.362CS..Hα-helixtrans-56.3-43.4178-173.460.5000112.3V291 R314 F315 Q320 M321 M322 A344 L347 L348V291-L318 HydrophobicContact CG1-CD2 4.45Å; R314-L318 PolarHBondContact O-N 2.71Å; F315-L318 HydrophobicContact CD2-CD2 4.31Å; F315-L318 PolarHBondContact O-N 3.1Å; L318-Q320 PolarHBondContact O-N 3.5Å; L318-M321 PolarHBondContact O-N 3.41Å; L318-M321 VanDerWaalsContact O-N 3.1Å; L318-M322 HydrophobicContact CD1-CE 3.62Å; L318-M322 HydrophobicContact CD1-CG 4.19Å; L318-M322 HydrophobicContact CD1-SD 3.68Å; L318-M322 HydrophobicContact CD2-SD 4.5Å; L318-M322 HydrophobicContact CG-CE 4.48Å; L318-M322 HydrophobicContact CG-SD 3.93Å; L318-M322 WeakPolarHBondContact O-CG 3.38Å; L318-M322 PolarHBondContact O-N 2.98Å; L318-M322 VanDerWaalsContact O-N 3.1Å; L318-A344 HydrophobicContact CD1-CB 3.76Å; L318-A344 HydrophobicContact CD2-CB 4.18Å; L318-L347 HydrophobicContact CB-CD2 3.79Å; L318-L347 HydrophobicContact CD1-CD2 4.26Å; L318-L348 HydrophobicContact CD2-CD1 4.17Å; L318-L348 HydrophobicContact CD2-CD2 4.45Å; L318-L348 HydrophobicContact CD2-CG 4.33Å
319S85.7Confident88.5Confident59 Ų5970.8 Ų70.841%0.41336%0.357SS..Hα-helixtrans-68.8-19179.7-55.90000113.4F315 K316 V317F315-S319 WeakPolarHBondContact CE1-OG 3.49Å; F315-S319 WeakPolarHBondContact CZ-OG 3.28Å; F315-S319 WeakPolarHBondContact O-CB 3.43Å; F315-S319 PolarHBondContact O-N 3.28Å; F315-S319 PolarHBondContact O-OG 2.9Å; K316-S319 PolarHBondContact O-N 2.68Å; V317-S319 VanDerWaalsContact C-N 3.28Å; V317-S319 PolarHBondContact O-N 3.06Å
320Q87.1Confident89Confident144 Ų14465.2 Ų65.267%0.67333%0.331SS*.Hα-helixtrans-85.5-24.5172.9-71.2173.2-30.900111.9K316 V317 L318K316-Q320 WeakPolarHBondContact O-CG 3.17Å; K316-Q320 PolarHBondContact O-N 3.27Å; V317-Q320 WeakPolarHBondContact O-CB 3.38Å; V317-Q320 PolarHBondContact O-N 3.13Å; L318-Q320 PolarHBondContact O-N 3.5Å
321M85.3Confident89.4Confident105 Ų10564.7 Ų64.752%0.51733%0.329SS..Hα-helixtrans-85.7-17.2177.3-63.3173.771.700113V317 L318 L347V317-M321 HydrophobicContact CG1-SD 3.97Å; V317-M321 WeakPolarHBondContact O-CG 3.44Å; V317-M321 PolarHBondContact O-N 2.82Å; V317-M321 VanDerWaalsContact O-N 3.14Å; L318-M321 PolarHBondContact O-N 3.41Å; L318-M321 VanDerWaalsContact O-N 3.1Å; M321-L347 HydrophobicContact SD-CD2 4.3Å
322M85.9Confident89.6Confident36 Ų3667.9 Ų67.918%0.17735%0.347CS..SBendtrans-115.5146.4-174-66.3-171.7161.200112.1V291 L318 A326 F328 E340 A344V291-M322 HydrophobicContact CB-SD 4.3Å; V291-M322 HydrophobicContact CG1-SD 3.8Å; V291-M322 HydrophobicContact CG2-SD 3.47Å; V291-M322 WeakPolarHBondContact CG2-SD 3.28Å; L318-M322 HydrophobicContact CD1-CE 3.62Å; L318-M322 HydrophobicContact CD1-CG 4.19Å; L318-M322 HydrophobicContact CD1-SD 3.68Å; L318-M322 HydrophobicContact CD2-SD 4.5Å; L318-M322 HydrophobicContact CG-CE 4.48Å; L318-M322 HydrophobicContact CG-SD 3.93Å; L318-M322 WeakPolarHBondContact O-CG 3.38Å; L318-M322 PolarHBondContact O-N 2.98Å; L318-M322 VanDerWaalsContact O-N 3.1Å; M322-A326 HydrophobicContact CB-CB 4.24Å; M322-F328 HydrophobicContact CE-CE1 3.62Å; M322-F328 HydrophobicContact CE-CZ 3.73Å; M322-F328 HydrophobicContact SD-CZ 4.23Å; M322-E340 HydrophobicContact CE-CB 4.24Å; M322-A344 HydrophobicContact CE-CB 3.93Å
323E82.6Confident89.9Confident172 Ų17270.9 Ų70.980%0.80436%0.359SS*.  trans-65.6157.5174-62.5-170.1167.500112.7N325 A326E323-N325 PolarHBondContact O-N 3.08Å; E323-A326 HydrophobicContact CB-CB 4.47Å; E323-A326 VanDerWaalsContact O-CB 3.3Å; E323-A326 WeakPolarHBondContact O-CB 3.41Å; E323-A326 PolarHBondContact O-N 3.4Å; E323-A326 VanDerWaalsContact O-N 3.12Å
324E77Confident90.2Very high178 Ų17867 Ų6783%0.83234%0.342SS*.THydrogen-bonded Turntrans-64.5123.3175.9-164.8-178.6175.900110.4A326E324-A326 VanDerWaalsContact C-N 3.33Å
325N80.4Confident90.5Very high149 Ų14966.4 Ų66.480%0.79734%0.341SS*.THydrogen-bonded Turntrans68.522.1-174.1-46-67.1000115.5E323E323-N325 PolarHBondContact O-N 3.08Å
326A90.6Very high90.9Very high30 Ų3068.8 Ų68.825%0.24836%0.355CS..  trans-54151.2171.500000112.7V291 M322 E323 E324V291-A326 HydrophobicContact CG2-CB 3.93Å; V291-A326 VanDerWaalsContact CG2-O 3.28Å; V291-A326 WeakPolarHBondContact CG2-O 3.42Å; V291-A326 PolarHBondContact N-O 3.43Å; M322-A326 HydrophobicContact CB-CB 4.24Å; E323-A326 HydrophobicContact CB-CB 4.47Å; E323-A326 VanDerWaalsContact O-CB 3.3Å; E323-A326 WeakPolarHBondContact O-CB 3.41Å; E323-A326 PolarHBondContact O-N 3.4Å; E323-A326 VanDerWaalsContact O-N 3.12Å; E324-A326 VanDerWaalsContact C-N 3.33Å
327A95.7Very high91.3Very high30 Ų3063.5 Ų63.525%0.24833%0.334CS..EExtended strand (participates in β ladder)trans-141.2150.3177.200000110.5D288 I289D288-A327 HydrophobicContact CB-CB 3.87Å; I289-A327 CarbonylContact O-C 3.56Å; I289-A327 VanDerWaalsContact O-CA 3.32Å; I289-A327 WeakPolarHBondContact O-CA 3.34Å
328F97.6Very high91.5Very high4 Ų463.1 Ų63.12%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-85.4128.2170.7-53.7-71.3000109.4D288 I289 V291 L294 M322 F330 T337 E340 L341 A344D288-F328 CarbonylContact C-O 3.42Å; D288-F328 WeakPolarHBondContact CA-O 3.49Å; I289-F328 HydrophobicContact CB-CB 4.47Å; I289-F328 PolarHBondContact N-O 2.88Å; I289-F328 PolarHBondContact O-N 2.92Å; V291-F328 HydrophobicContact CB-CE2 4.42Å; V291-F328 HydrophobicContact CG2-CD2 4.41Å; V291-F328 HydrophobicContact CG2-CE2 3.78Å; V291-F328 HydrophobicContact CG2-CZ 3.86Å; L294-F328 HydrophobicContact CB-CE2 4.03Å; L294-F328 HydrophobicContact CD2-CD2 4.48Å; L294-F328 HydrophobicContact CD2-CE2 3.46Å; L294-F328 VanDerWaalsContact CD2-CE2 3.46Å; L294-F328 HydrophobicContact CD2-CZ 3.75Å; L294-F328 HydrophobicContact CG-CE2 4.33Å; M322-F328 HydrophobicContact CE-CE1 3.62Å; M322-F328 HydrophobicContact CE-CZ 3.73Å; M322-F328 HydrophobicContact SD-CZ 4.23Å; F328-F330 HydrophobicContact CB-CE2 3.96Å; F328-T337 VanDerWaalsContact CA-OG1 3.29Å; F328-T337 WeakPolarHBondContact CA-OG1 3.41Å; F328-E340 HydrophobicContact CE1-CB 4.33Å; F328-L341 HydrophobicContact CD1-CB 3.63Å; F328-L341 HydrophobicContact CD1-CD1 3.91Å; F328-L341 HydrophobicContact CD1-CG 4.33Å; F328-L341 HydrophobicContact CD2-CD1 4.02Å; F328-L341 VanDerWaalsContact CE1-CA 3.43Å; F328-L341 HydrophobicContact CE1-CB 3.97Å; F328-L341 HydrophobicContact CE1-CD1 4.04Å; F328-L341 HydrophobicContact CE2-CD1 4.15Å; F328-L341 HydrophobicContact CG-CB 4.28Å; F328-L341 HydrophobicContact CG-CD1 3.88Å; F328-L341 HydrophobicContact CZ-CD1 4.14Å; F328-A344 HydrophobicContact CE1-CB 4.09Å; F328-A344 HydrophobicContact CZ-CB 3.66Å
329V98.2Very high91.7Very high33 Ų3364.7 Ų64.720%0.234%0.342CS..EExtended strand (participates in β ladder)trans-97.7125.8-173.2-174.30000109.4T286 C335 L336 T337T286-V329 HydrophobicContact CG2-CG1 3.7Å; V329-C335 CarbonylContact O-C 3.59Å; V329-C335 WeakPolarHBondContact O-CA 3.22Å; V329-C335 PolarHBondContact O-SG 3.23Å; V329-C335 VanDerWaalsContact O-SG 3.36Å; V329-L336 HydrophobicContact CB-CB 4.36Å; V329-L336 HydrophobicContact CG1-CB 4.4Å; V329-L336 HydrophobicContact CG1-CD1 4.09Å; V329-L336 PolarHBondContact O-N 3.15Å; V329-T337 HydrophobicContact CB-CG2 4.03Å; V329-T337 HydrophobicContact CG2-CG2 3.88Å; V329-T337 PolarHBondContact N-OG1 3.03Å
330F98.4Very high92.1Very high4 Ų466.6 Ų66.62%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-116.3133.2176.2-73.6-96.8000110.8T286 A287 I289 F328 G334 C335 L341 I395 I444 L448T286-F330 CarbonylContact C-O 3.55Å; T286-F330 WeakPolarHBondContact CA-O 3.36Å; T286-F330 WeakPolarHBondContact CB-O 3.16Å; A287-F330 PolarHBondContact N-O 2.79Å; A287-F330 PolarHBondContact O-N 3.48Å; I289-F330 HydrophobicContact CB-CE2 4.47Å; I289-F330 HydrophobicContact CD1-CD2 3.89Å; I289-F330 HydrophobicContact CD1-CE2 3.64Å; I289-F330 HydrophobicContact CD1-CZ 4.38Å; I289-F330 HydrophobicContact CG1-CD2 4.09Å; I289-F330 HydrophobicContact CG1-CE2 4.14Å; F328-F330 HydrophobicContact CB-CE2 3.96Å; F330-G334 CarbonylContact C-O 3.57Å; F330-G334 WeakPolarHBondContact CA-O 3.34Å; F330-C335 HydrophobicContact CD1-CB 3.99Å; F330-C335 HydrophobicContact CE1-CB 3.69Å; F330-C335 HydrophobicContact CZ-CB 4.05Å; F330-L341 HydrophobicContact CE1-CD2 4.34Å; F330-L341 HydrophobicContact CE2-CD2 4.25Å; F330-L341 HydrophobicContact CZ-CD2 3.54Å; F330-I395 HydrophobicContact CZ-CG2 4.22Å; F330-I444 HydrophobicContact CB-CG2 3.89Å; F330-L448 HydrophobicContact CD1-CD1 4Å; F330-L448 HydrophobicContact CD1-CD2 3.86Å; F330-L448 HydrophobicContact CD2-CD2 4.16Å; F330-L448 HydrophobicContact CE1-CD1 3.66Å; F330-L448 HydrophobicContact CE1-CD2 3.76Å; F330-L448 HydrophobicContact CE1-CG 4.37Å; F330-L448 HydrophobicContact CE2-CD2 4.09Å; F330-L448 HydrophobicContact CG-CD2 4.04Å; F330-L448 HydrophobicContact CZ-CD1 4.37Å; F330-L448 HydrophobicContact CZ-CD2 3.87Å
331S97.4Very high92.5Very high14 Ų1459.8 Ų59.810%0.09831%0.313CS..EExtended strand (participates in β ladder)trans-103.8-172.9172.171.10000111.1Q333 G334S331-Q333 PolarHBondContact O-N 2.83Å; S331-Q333 PolarHBondContact OG-N 3.29Å; S331-G334 PolarHBondContact N-O 3.27Å; S331-G334 PolarHBondContact OG-N 3.32Å; S331-G334 PolarHBondContact OG-O 3.18Å
332D94.1Very high92.9Very high83 Ų8355.7 Ų55.744%0.44429%0.292SS..SBendtrans-73.7-1169.778.2-18.6000113.9N381D332-N381 PolarHBondContact O-ND2 2.87Å
333Q95.3Very high93.3Very high126 Ų12655.7 Ų55.759%0.58930%0.296SS*.SBendtrans-110.8-15.9176.6-57.6-48-51.300114.3S331 S380 N381S331-Q333 PolarHBondContact O-N 2.83Å; S331-Q333 PolarHBondContact OG-N 3.29Å; Q333-S380 CarbonylContact O-C 3.57Å; Q333-S380 WeakPolarHBondContact O-CA 3.39Å; Q333-N381 PolarHBondContact O-N 2.95Å
334G96.5Very high93.8Very high2 Ų247.5 Ų47.52%0.02126%0.258CS..BIsolated β-bridgetrans146.2-159.9-176.800000112.5F330 S331 F379F330-G334 CarbonylContact C-O 3.57Å; F330-G334 WeakPolarHBondContact CA-O 3.34Å; S331-G334 PolarHBondContact N-O 3.27Å; S331-G334 PolarHBondContact OG-N 3.32Å; S331-G334 PolarHBondContact OG-O 3.18Å; G334-F379 WeakPolarHBondContact CA-O 3.33Å
335C97.9Very high94.6Very high8 Ų839 Ų395%0.05422%0.218CC..BIsolated β-bridgetrans-79.6133.7172.4-163.20000110.4V329 F330 T337 D338 L341 F379V329-C335 CarbonylContact O-C 3.59Å; V329-C335 WeakPolarHBondContact O-CA 3.22Å; V329-C335 PolarHBondContact O-SG 3.23Å; V329-C335 VanDerWaalsContact O-SG 3.36Å; F330-C335 HydrophobicContact CD1-CB 3.99Å; F330-C335 HydrophobicContact CE1-CB 3.69Å; F330-C335 HydrophobicContact CZ-CB 4.05Å; C335-T337 VanDerWaalsContact SG-C 3.59Å; C335-T337 PolarHBondContact SG-O 3.44Å; C335-T337 PolarHBondContact SG-OG1 3.14Å; C335-D338 HydrophobicContact CB-CB 4.27Å; C335-L341 HydrophobicContact CB-CD2 4.13Å; C335-F379 HydrophobicContact CB-CB 3.99Å; C335-F379 PolarHBondContact N-O 3.47Å
336L96.6Very high95.2Very high97 Ų9733.7 Ų33.751%0.50819%0.188SC..SBendtrans-92.7-17.5174-58.2-176000112.7T286 V329T286-L336 HydrophobicContact CG2-CD1 3.84Å; V329-L336 HydrophobicContact CB-CB 4.36Å; V329-L336 HydrophobicContact CG1-CB 4.4Å; V329-L336 HydrophobicContact CG1-CD1 4.09Å; V329-L336 PolarHBondContact O-N 3.15Å
337T95.8Very high95.3Very high26 Ų2632.4 Ų32.416%0.1618%0.177CC..SBendtrans-110.251.4173.857.70000108.4F328 V329 C335 E340 L341F328-T337 VanDerWaalsContact CA-OG1 3.29Å; F328-T337 WeakPolarHBondContact CA-OG1 3.41Å; V329-T337 HydrophobicContact CB-CG2 4.03Å; V329-T337 HydrophobicContact CG2-CG2 3.88Å; V329-T337 PolarHBondContact N-OG1 3.03Å; C335-T337 VanDerWaalsContact SG-C 3.59Å; C335-T337 PolarHBondContact SG-O 3.44Å; C335-T337 PolarHBondContact SG-OG1 3.14Å; T337-E340 WeakPolarHBondContact CA-OE2 3.42Å; T337-E340 VanDerWaalsContact CB-OE2 3.3Å; T337-E340 WeakPolarHBondContact CB-OE2 3.43Å; T337-L341 VanDerWaalsContact O-CB 3.27Å; T337-L341 WeakPolarHBondContact O-CB 3.49Å; T337-L341 PolarHBondContact O-N 2.84Å
338D95.6Very high95Very high21 Ų2131.7 Ų31.711%0.11217%0.169CC..Hα-helixtrans-69.5-39.3-169.948.920.4000111.8C335 L341 H342 I375 S376 F379C335-D338 HydrophobicContact CB-CB 4.27Å; D338-L341 PolarHBondContact O-N 3.33Å; D338-H342 WeakPolarHBondContact O-CA 3.44Å; D338-H342 WeakPolarHBondContact O-CB 3.19Å; D338-H342 PolarHBondContact O-N 3.04Å; D338-I375 HydrophobicContact CB-CG2 4Å; D338-S376 WeakPolarHBondContact OD2-CA 3.31Å; D338-S376 WeakPolarHBondContact OD2-CB 3.38Å; D338-S376 PolarHBondContact OD2-OG 3.27Å; D338-F379 HydrophobicContact CB-CB 3.68Å; D338-F379 HydrophobicContact CB-CD2 4.07Å; D338-F379 HydrophobicContact CB-CG 4.06Å
339S92.8Very high94.7Very high37 Ų3733.7 Ų33.726%0.25918%0.183SC..Hα-helixtrans-64.9-41.2175.3-66.60000112.8S343S339-S343 WeakPolarHBondContact O-CB 3.21Å; S339-S343 PolarHBondContact O-N 3.38Å; S339-S343 PolarHBondContact O-OG 2.48Å
340E93.6Very high94.3Very high99 Ų9932.6 Ų32.646%0.46318%0.176SC..Hα-helixtrans-68.4-42.4174.8-60.788.7161.400111.3M322 F328 T337 S343 A344M322-E340 HydrophobicContact CE-CB 4.24Å; F328-E340 HydrophobicContact CE1-CB 4.33Å; T337-E340 WeakPolarHBondContact CA-OE2 3.42Å; T337-E340 VanDerWaalsContact CB-OE2 3.3Å; T337-E340 WeakPolarHBondContact CB-OE2 3.43Å; E340-S343 PolarHBondContact O-N 3.23Å; E340-A344 WeakPolarHBondContact O-CB 3.41Å; E340-A344 PolarHBondContact O-N 2.67Å
341L95.6Very high93.8Very high2 Ų234.4 Ų34.41%0.0119%0.189CC..Hα-helixtrans-64.5-43176.3179.159.5000111.2L294 F328 F330 C335 T337 D338 A344 L345 F379 I395L294-L341 HydrophobicContact CD2-CD1 4.5Å; F328-L341 HydrophobicContact CD1-CB 3.63Å; F328-L341 HydrophobicContact CD1-CD1 3.91Å; F328-L341 HydrophobicContact CD1-CG 4.33Å; F328-L341 HydrophobicContact CD2-CD1 4.02Å; F328-L341 VanDerWaalsContact CE1-CA 3.43Å; F328-L341 HydrophobicContact CE1-CB 3.97Å; F328-L341 HydrophobicContact CE1-CD1 4.04Å; F328-L341 HydrophobicContact CE2-CD1 4.15Å; F328-L341 HydrophobicContact CG-CB 4.28Å; F328-L341 HydrophobicContact CG-CD1 3.88Å; F328-L341 HydrophobicContact CZ-CD1 4.14Å; F330-L341 HydrophobicContact CE1-CD2 4.34Å; F330-L341 HydrophobicContact CE2-CD2 4.25Å; F330-L341 HydrophobicContact CZ-CD2 3.54Å; C335-L341 HydrophobicContact CB-CD2 4.13Å; T337-L341 VanDerWaalsContact O-CB 3.27Å; T337-L341 WeakPolarHBondContact O-CB 3.49Å; T337-L341 PolarHBondContact O-N 2.84Å; D338-L341 PolarHBondContact O-N 3.33Å; L341-A344 PolarHBondContact O-N 3.04Å; L341-L345 HydrophobicContact CD1-CD1 3.84Å; L341-L345 HydrophobicContact CD1-CG 3.99Å; L341-L345 HydrophobicContact CD2-CD1 4.47Å; L341-L345 HydrophobicContact CG-CD1 3.77Å; L341-L345 HydrophobicContact CG-CG 4.35Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 WeakPolarHBondContact O-CG 3.36Å; L341-L345 PolarHBondContact O-N 3.38Å; L341-F379 HydrophobicContact CD2-CD1 3.73Å; L341-F379 HydrophobicContact CD2-CE1 3.84Å; L341-F379 HydrophobicContact CG-CD1 4.29Å; L341-F379 HydrophobicContact CG-CE1 3.95Å; L341-I395 HydrophobicContact CD2-CD1 4.41Å
342H94.7Very high93.4Very high18 Ų1837.9 Ų37.98%0.08320%0.203CC..Hα-helixtrans-56.9-52.8175.8177.9-112.5000110.7D338 A344 L345 K346 D370 I375 F379 W391D338-H342 WeakPolarHBondContact O-CA 3.44Å; D338-H342 WeakPolarHBondContact O-CB 3.19Å; D338-H342 PolarHBondContact O-N 3.04Å; H342-A344 VanDerWaalsContact C-N 3.32Å; H342-A344 PolarHBondContact O-N 2.88Å; H342-L345 PolarHBondContact O-N 3.44Å; H342-K346 WeakPolarHBondContact O-CB 3.42Å; H342-K346 PolarHBondContact O-N 3.24Å; H342-D370 IonicContact CE1-OD2 2.82Å; H342-D370 PolarHBondContact CE1-OD2 2.92Å; H342-D370 IonicContact NE2-OD2 3.82Å; H342-D370 PolarHBondContact NE2-OD2 3.12Å; H342-I375 HydrophobicContact CB-CG2 4Å; H342-F379 HydrophobicContact CB-CD2 4.49Å; H342-F379 HydrophobicContact CB-CE2 3.59Å; H342-F379 HydrophobicContact CB-CZ 3.95Å; H342-F379 AromaticContact CD2-CE2 3.8Å; H342-W391 AromaticContact CD2-CH2 3.44Å; H342-W391 VanDerWaalsContact CD2-CH2 3.44Å; H342-W391 WeakPolarHBondContact CD2-CH2 3.29Å; H342-W391 AromaticContact CD2-CZ3 3.55Å; H342-W391 AromaticContact NE2-CH2 3.42Å; H342-W391 WeakPolarHBondContact NE2-CH2 3.46Å; H342-W391 AromaticContact NE2-CZ3 3.94Å
343S92.4Very high93.2Very high36 Ų3639.9 Ų39.925%0.25221%0.21SC..Hα-helixtrans-58-44177.8-64.40000111.8S339 E340 K346 L347S339-S343 WeakPolarHBondContact O-CB 3.21Å; S339-S343 PolarHBondContact O-N 3.38Å; S339-S343 PolarHBondContact O-OG 2.48Å; E340-S343 PolarHBondContact O-N 3.23Å; S343-K346 PolarHBondContact O-N 3.16Å; S343-L347 VanDerWaalsContact O-CB 3.25Å; S343-L347 WeakPolarHBondContact O-CB 3.4Å; S343-L347 PolarHBondContact O-N 3.41Å
344A94Very high92.9Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-62-44.5176.500000112.5L294 L318 M322 F328 E340 L341 H342 L348L294-A344 HydrophobicContact CD2-CB 3.93Å; L318-A344 HydrophobicContact CD1-CB 3.76Å; L318-A344 HydrophobicContact CD2-CB 4.18Å; M322-A344 HydrophobicContact CE-CB 3.93Å; F328-A344 HydrophobicContact CE1-CB 4.09Å; F328-A344 HydrophobicContact CZ-CB 3.66Å; E340-A344 WeakPolarHBondContact O-CB 3.41Å; E340-A344 PolarHBondContact O-N 2.67Å; L341-A344 PolarHBondContact O-N 3.04Å; H342-A344 VanDerWaalsContact C-N 3.32Å; H342-A344 PolarHBondContact O-N 2.88Å; A344-L348 VanDerWaalsContact O-CB 3.31Å; A344-L348 WeakPolarHBondContact O-CB 3.37Å; A344-L348 WeakPolarHBondContact O-CG 3.44Å; A344-L348 PolarHBondContact O-N 3.04Å
345L94.4Very high92.6Very high0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-69.8-41179.9-68.4168.2000111.9L294 L341 H342 L348 C349 F379 W391 L394 I395L294-L345 HydrophobicContact CD1-CD2 4.19Å; L341-L345 HydrophobicContact CD1-CD1 3.84Å; L341-L345 HydrophobicContact CD1-CG 3.99Å; L341-L345 HydrophobicContact CD2-CD1 4.47Å; L341-L345 HydrophobicContact CG-CD1 3.77Å; L341-L345 HydrophobicContact CG-CG 4.35Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 WeakPolarHBondContact O-CG 3.36Å; L341-L345 PolarHBondContact O-N 3.38Å; H342-L345 PolarHBondContact O-N 3.44Å; L345-L348 PolarHBondContact O-N 3.19Å; L345-C349 WeakPolarHBondContact O-CB 3.49Å; L345-C349 PolarHBondContact O-N 3.25Å; L345-F379 HydrophobicContact CD1-CE1 3.64Å; L345-F379 HydrophobicContact CD1-CZ 3.93Å; L345-W391 HydrophobicContact CB-CD2 3.86Å; L345-W391 HydrophobicContact CB-CE3 4.29Å; L345-W391 HydrophobicContact CB-CG 4.02Å; L345-W391 HydrophobicContact CB-CZ2 4.45Å; L345-W391 HydrophobicContact CD1-CB 4.21Å; L345-W391 HydrophobicContact CD1-CD2 4.33Å; L345-W391 HydrophobicContact CD1-CE3 4.24Å; L345-W391 HydrophobicContact CD1-CG 4.35Å; L345-W391 HydrophobicContact CD2-CB 4.42Å; L345-W391 PolarHBondContact O-NE1 3.19Å; L345-L394 HydrophobicContact CD2-CB 3.96Å; L345-L394 HydrophobicContact CD2-CD1 3.99Å; L345-I395 HydrophobicContact CD1-CD1 3.83Å; L345-I395 HydrophobicContact CD1-CG1 4.02Å; L345-I395 HydrophobicContact CD2-CG1 4.3Å
346K92.3Very high92.2Very high38 Ų3840.9 Ų40.917%0.16522%0.219CC..Hα-helixtrans-59.3-50175-154.3-178173-1800109.7H342 S343 L348 C349 M350 W364 D368 D370 W391H342-K346 WeakPolarHBondContact O-CB 3.42Å; H342-K346 PolarHBondContact O-N 3.24Å; S343-K346 PolarHBondContact O-N 3.16Å; K346-L348 PolarHBondContact O-N 3.19Å; K346-C349 PolarHBondContact O-N 3.27Å; K346-M350 WeakPolarHBondContact O-CB 3.44Å; K346-M350 PolarHBondContact O-N 2.98Å; K346-M350 VanDerWaalsContact O-N 3.08Å; K346-W364 HydrophobicContact CB-CH2 3.71Å; K346-W364 HydrophobicContact CB-CZ2 3.85Å; K346-W364 HydrophobicContact CD-CD2 4.16Å; K346-W364 HydrophobicContact CD-CE3 3.93Å; K346-W364 HydrophobicContact CD-CH2 3.3Å; K346-W364 HydrophobicContact CD-CZ2 3.55Å; K346-W364 HydrophobicContact CD-CZ3 3.52Å; K346-W364 VanDerWaalsContact CE-CE3 3.41Å; K346-W364 HydrophobicContact CG-CH2 3.24Å; K346-W364 HydrophobicContact CG-CZ2 3.78Å; K346-W364 HydrophobicContact CG-CZ3 3.76Å; K346-D368 PolarHBondContact NZ-O 3.44Å; K346-D370 IonicContact NZ-OD2 3.24Å; K346-W391 HydrophobicContact CB-CZ2 4.24Å; K346-W391 HydrophobicContact CG-CZ2 4.47Å
347L92.1Very high91.8Very high2 Ų241.8 Ų41.81%0.0122%0.22CC..Hα-helixtrans-62.9-41177.9-174.461.7000113.6R314 V317 L318 M321 S343 M350 F355 F358R314-L347 HydrophobicContact CB-CG 4.44Å; R314-L347 WeakPolarHBondContact CD-O 3.29Å; V317-L347 HydrophobicContact CB-CD2 4.06Å; V317-L347 HydrophobicContact CG1-CD1 4.37Å; V317-L347 HydrophobicContact CG1-CD2 3.86Å; L318-L347 HydrophobicContact CB-CD2 3.79Å; L318-L347 HydrophobicContact CD1-CD2 4.26Å; M321-L347 HydrophobicContact SD-CD2 4.3Å; S343-L347 VanDerWaalsContact O-CB 3.25Å; S343-L347 WeakPolarHBondContact O-CB 3.4Å; S343-L347 PolarHBondContact O-N 3.41Å; L347-M350 HydrophobicContact CD1-CE 3.91Å; L347-M350 HydrophobicContact CD1-SD 3.97Å; L347-M350 WeakPolarHBondContact O-CG 3.42Å; L347-F355 HydrophobicContact CD1-CD2 4.15Å; L347-F355 HydrophobicContact CD1-CE2 3.97Å; L347-F358 HydrophobicContact CD1-CE1 4.36Å
348L90.7Very high91.5Very high15 Ų1541.7 Ų41.78%0.07922%0.218CC..Hα-helixtrans-75.4-30.3-178.7-70.4173.6000112.7L294 A298 F311 R314 L318 A344 L345 K346 L394L294-L348 HydrophobicContact CD2-CD1 3.8Å; L294-L348 HydrophobicContact CG-CD1 3.94Å; A298-L348 HydrophobicContact CB-CD1 4.44Å; F311-L348 HydrophobicContact CE2-CD2 4.12Å; R314-L348 PolarHBondContact NH1-O 2.9Å; L318-L348 HydrophobicContact CD2-CD1 4.17Å; L318-L348 HydrophobicContact CD2-CD2 4.45Å; L318-L348 HydrophobicContact CD2-CG 4.33Å; A344-L348 VanDerWaalsContact O-CB 3.31Å; A344-L348 WeakPolarHBondContact O-CB 3.37Å; A344-L348 WeakPolarHBondContact O-CG 3.44Å; A344-L348 PolarHBondContact O-N 3.04Å; L345-L348 PolarHBondContact O-N 3.19Å; K346-L348 PolarHBondContact O-N 3.19Å; L348-L394 HydrophobicContact CB-CD1 4.38Å
349C90Very high91.1Very high46 Ų4647.5 Ų47.531%0.31124%0.238SC..Hα-helixtrans-103.3-3.3-172.3-70.10000115.8L345 K346 W391 L394L345-C349 WeakPolarHBondContact O-CB 3.49Å; L345-C349 PolarHBondContact O-N 3.25Å; K346-C349 PolarHBondContact O-N 3.27Å; C349-W391 VanDerWaalsContact SG-CD1 3.58Å; C349-L394 WeakPolarHBondContact SG-CD1 3.48Å
350M89.9Confident90.9Very high11 Ų1152.2 Ų52.25%0.05426%0.26CS..  trans-60.3163.7176.460-178.941.100113R314 K346 L347 E354 F355 F358 W364R314-M350 PolarHBondContact NH1-O 3.3Å; R314-M350 PolarHBondContact NH2-O 3.23Å; K346-M350 WeakPolarHBondContact O-CB 3.44Å; K346-M350 PolarHBondContact O-N 2.98Å; K346-M350 VanDerWaalsContact O-N 3.08Å; L347-M350 HydrophobicContact CD1-CE 3.91Å; L347-M350 HydrophobicContact CD1-SD 3.97Å; L347-M350 WeakPolarHBondContact O-CG 3.42Å; M350-E354 WeakPolarHBondContact CA-OE2 3.17Å; M350-E354 HydrophobicContact CB-CB 3.88Å; M350-E354 WeakPolarHBondContact CB-OE2 3.49Å; M350-F355 HydrophobicContact CG-CB 4.09Å; M350-F355 WeakPolarHBondContact SD-CA 3.29Å; M350-F355 HydrophobicContact SD-CB 3.41Å; M350-F355 WeakPolarHBondContact SD-CB 3.39Å; M350-F355 HydrophobicContact SD-CD2 3.35Å; M350-F355 WeakPolarHBondContact SD-CD2 3.43Å; M350-F355 HydrophobicContact SD-CE2 4.45Å; M350-F355 HydrophobicContact SD-CG 3.79Å; M350-F358 HydrophobicContact CE-CB 4.48Å; M350-W364 HydrophobicContact CE-CH2 3.16Å; M350-W364 HydrophobicContact CE-CZ2 4.06Å; M350-W364 HydrophobicContact CE-CZ3 3.67Å
351S88.9Confident90.5Very high42 Ų4251.3 Ų51.329%0.29426%0.259SS..  trans-77.8171.117193.60000111.9R314 E353 E354 F355R314-S351 PolarHBondContact NH2-O 2.77Å; S351-E353 VanDerWaalsContact C-N 3.27Å; S351-E353 WeakPolarHBondContact CB-OE2 3.23Å; S351-E353 PolarHBondContact OG-N 3.49Å; S351-E353 VanDerWaalsContact OG-N 3.17Å; S351-E353 PolarHBondContact OG-OE2 2.83Å; S351-E354 PolarHBondContact N-OE2 3.46Å; S351-E354 PolarHBondContact OG-N 3.22Å; S351-E354 VanDerWaalsContact OG-N 3.13Å; S351-F355 WeakPolarHBondContact O-CB 3.43Å; S351-F355 PolarHBondContact O-N 2.91Å
352Q88.3Confident89.9Confident86 Ų8660.2 Ų60.240%0.40230%0.3SS..Hα-helixtrans-64.2-37.6174.3176.366.961.800111L310 S356L310-Q352 HydrophobicContact CD2-CB 4.13Å; Q352-S356 PolarHBondContact O-N 2.94Å; Q352-S356 VanDerWaalsContact O-N 3.09Å; Q352-S356 PolarHBondContact O-OG 2.98Å; Q352-S356 VanDerWaalsContact O-OG 3.07Å
353E89.6Confident89.3Confident125 Ų12560.2 Ų60.258%0.58431%0.305SS*.Hα-helixtrans-65.5-50.8177.1-5877-166.800110.9S351 F355 S356 E357S351-E353 VanDerWaalsContact C-N 3.27Å; S351-E353 WeakPolarHBondContact CB-OE2 3.23Å; S351-E353 PolarHBondContact OG-N 3.49Å; S351-E353 VanDerWaalsContact OG-N 3.17Å; S351-E353 PolarHBondContact OG-OE2 2.83Å; E353-F355 VanDerWaalsContact C-N 3.28Å; E353-F355 PolarHBondContact O-N 2.82Å; E353-S356 WeakPolarHBondContact O-CB 3.33Å; E353-S356 PolarHBondContact O-N 2.76Å; E353-E357 PolarHBondContact O-N 3.34Å
354E90.1Very high88.7Confident104 Ų10462.2 Ų62.249%0.48631%0.307SS..Hα-helixtrans-58.7-38.5177.2-69.5171.4166.300111.8M350 S351 E357 F358M350-E354 WeakPolarHBondContact CA-OE2 3.17Å; M350-E354 HydrophobicContact CB-CB 3.88Å; M350-E354 WeakPolarHBondContact CB-OE2 3.49Å; S351-E354 PolarHBondContact N-OE2 3.46Å; S351-E354 PolarHBondContact OG-N 3.22Å; S351-E354 VanDerWaalsContact OG-N 3.13Å; E354-E357 PolarHBondContact O-N 3.32Å; E354-F358 WeakPolarHBondContact O-CB 3.48Å; E354-F358 PolarHBondContact O-N 3.07Å
355F90.4Very high87.6Confident3 Ų367.1 Ų67.11%0.01333%0.33CS..Hα-helixtrans-68.9-35.9176.1-173.8-124.7000113.1L310 E313 R314 V317 L347 M350 S351 E353 F358 R359L310-F355 HydrophobicContact CD1-CB 4.47Å; L310-F355 HydrophobicContact CD1-CD1 3.54Å; L310-F355 HydrophobicContact CD1-CE1 4.11Å; L310-F355 HydrophobicContact CD1-CG 4.28Å; E313-F355 HydrophobicContact CB-CE1 3.81Å; E313-F355 HydrophobicContact CB-CZ 4.07Å; R314-F355 HydrophobicContact CB-CE2 4.44Å; R314-F355 HydrophobicContact CG-CD1 4.2Å; R314-F355 HydrophobicContact CG-CD2 3.82Å; R314-F355 HydrophobicContact CG-CE1 4.1Å; R314-F355 HydrophobicContact CG-CE2 3.69Å; R314-F355 HydrophobicContact CG-CG 4.05Å; R314-F355 HydrophobicContact CG-CZ 3.83Å; V317-F355 HydrophobicContact CG2-CE2 4.27Å; V317-F355 HydrophobicContact CG2-CZ 4.23Å; L347-F355 HydrophobicContact CD1-CD2 4.15Å; L347-F355 HydrophobicContact CD1-CE2 3.97Å; M350-F355 HydrophobicContact CG-CB 4.09Å; M350-F355 WeakPolarHBondContact SD-CA 3.29Å; M350-F355 HydrophobicContact SD-CB 3.41Å; M350-F355 WeakPolarHBondContact SD-CB 3.39Å; M350-F355 HydrophobicContact SD-CD2 3.35Å; M350-F355 WeakPolarHBondContact SD-CD2 3.43Å; M350-F355 HydrophobicContact SD-CE2 4.45Å; M350-F355 HydrophobicContact SD-CG 3.79Å; S351-F355 WeakPolarHBondContact O-CB 3.43Å; S351-F355 PolarHBondContact O-N 2.91Å; E353-F355 VanDerWaalsContact C-N 3.28Å; E353-F355 PolarHBondContact O-N 2.82Å; F355-F358 HydrophobicContact CD2-CD1 4.4Å; F355-F358 HydrophobicContact CE2-CD1 4.45Å; F355-R359 HydrophobicContact CE1-CG 4.47Å; F355-R359 HydrophobicContact CE2-CG 4.23Å; F355-R359 HydrophobicContact CZ-CG 4.22Å; F355-R359 WeakPolarHBondContact O-CG 3.22Å; F355-R359 PolarHBondContact O-N 3.15Å; F355-R359 VanDerWaalsContact O-N 3.09Å
356S88.4Confident85.8Confident50 Ų5073.8 Ų73.835%0.3537%0.366SS..Hα-helixtrans-65.4-43.6174.7-65.30000110.8Q352 E353 R359 D360Q352-S356 PolarHBondContact O-N 2.94Å; Q352-S356 VanDerWaalsContact O-N 3.09Å; Q352-S356 PolarHBondContact O-OG 2.98Å; Q352-S356 VanDerWaalsContact O-OG 3.07Å; E353-S356 WeakPolarHBondContact O-CB 3.33Å; E353-S356 PolarHBondContact O-N 2.76Å; S356-R359 PolarHBondContact O-N 3.37Å; S356-D360 WeakPolarHBondContact O-CB 3.46Å; S356-D360 PolarHBondContact O-N 2.78Å
357E88.3Confident84.1Confident116 Ų11679.6 Ų79.654%0.54240%0.399SS..Hα-helixtrans-62.1-47.2176.1-71.6174.2175.900111.5E353 E354 R359 D360 N361E353-E357 PolarHBondContact O-N 3.34Å; E354-E357 PolarHBondContact O-N 3.32Å; E357-R359 PolarHBondContact O-N 3.18Å; E357-D360 PolarHBondContact O-N 3.31Å; E357-D360 VanDerWaalsContact O-N 3.13Å; E357-N361 WeakPolarHBondContact O-CB 3.41Å; E357-N361 PolarHBondContact O-N 3.35Å
358F88.7Confident82.5Confident25 Ų2583.2 Ų83.211%0.1142%0.418CS..Hα-helixtrans-54-40.3173.9175-91.6000112.5V317 L347 M350 E354 F355 E362 G363 W364V317-F358 HydrophobicContact CG1-CE1 4.01Å; V317-F358 HydrophobicContact CG1-CZ 4.47Å; L347-F358 HydrophobicContact CD1-CE1 4.36Å; M350-F358 HydrophobicContact CE-CB 4.48Å; E354-F358 WeakPolarHBondContact O-CB 3.48Å; E354-F358 PolarHBondContact O-N 3.07Å; F355-F358 HydrophobicContact CD2-CD1 4.4Å; F355-F358 HydrophobicContact CE2-CD1 4.45Å; F358-E362 PolarHBondContact O-N 3.12Å; F358-G363 VanDerWaalsContact CD2-C 3.46Å; F358-G363 WeakPolarHBondContact CD2-O 3.31Å; F358-G363 PolarHBondContact O-N 3.12Å; F358-W364 AromaticContact CD2-CD2 3.79Å; F358-W364 HydrophobicContact CD2-CD2 3.79Å; F358-W364 AromaticContact CD2-CE2 3.92Å; F358-W364 AromaticContact CD2-CE3 3.95Å; F358-W364 HydrophobicContact CD2-CE3 3.95Å; F358-W364 HydrophobicContact CD2-CG 4.26Å; F358-W364 HydrophobicContact CD2-CH2 4.35Å; F358-W364 HydrophobicContact CD2-CZ2 4.22Å; F358-W364 HydrophobicContact CD2-CZ3 4.21Å; F358-W364 AromaticContact CE2-CD1 3.99Å; F358-W364 AromaticContact CE2-CD2 3.86Å; F358-W364 HydrophobicContact CE2-CD2 3.86Å; F358-W364 AromaticContact CE2-CE2 3.65Å; F358-W364 HydrophobicContact CE2-CE3 4.47Å; F358-W364 HydrophobicContact CE2-CG 4.08Å; F358-W364 HydrophobicContact CE2-CZ2 4.1Å; F358-W364 AromaticContact CE2-NE1 3.74Å
359R87.7Confident81Confident143 Ų14390.2 Ų90.254%0.5445%0.45SS..Hα-helixtrans-73-39.5178.2-76.8-17361.7-174.2-7.3113E313 F355 S356 E357 N361 E362E313-R359 IonicContact OE2-NH1 3.97Å; E313-R359 PolarHBondContact OE2-NH1 3.15Å; F355-R359 HydrophobicContact CE1-CG 4.47Å; F355-R359 HydrophobicContact CE2-CG 4.23Å; F355-R359 HydrophobicContact CZ-CG 4.22Å; F355-R359 WeakPolarHBondContact O-CG 3.22Å; F355-R359 PolarHBondContact O-N 3.15Å; F355-R359 VanDerWaalsContact O-N 3.09Å; S356-R359 PolarHBondContact O-N 3.37Å; E357-R359 PolarHBondContact O-N 3.18Å; R359-N361 VanDerWaalsContact C-N 3.28Å; R359-E362 PolarHBondContact O-N 2.93Å
360D88.1Confident79.9Confident135 Ų13591.7 Ų91.772%0.72246%0.455SS*.Hα-helixtrans-69.4-30.4179.7-73.8-14.7000111.3S356 E357S356-D360 WeakPolarHBondContact O-CB 3.46Å; S356-D360 PolarHBondContact O-N 2.78Å; E357-D360 PolarHBondContact O-N 3.31Å; E357-D360 VanDerWaalsContact O-N 3.13Å
361N85.8Confident79.5Confident80 Ų8094.8 Ų94.843%0.42847%0.472SS..THydrogen-bonded Turntrans-88.8-2.4177.6-68.8-13.1000114.2E357 R359 G363 E365E357-N361 WeakPolarHBondContact O-CB 3.41Å; E357-N361 PolarHBondContact O-N 3.35Å; R359-N361 VanDerWaalsContact C-N 3.28Å; N361-G363 PolarHBondContact O-N 3.36Å; N361-E365 VanDerWaalsContact ND2-CG 3.27Å; N361-E365 WeakPolarHBondContact ND2-CG 3.28Å; N361-E365 PolarHBondContact ND2-OE1 2.81Å
362E83.4Confident79.2Confident189 Ų18997.8 Ų97.888%0.88349%0.485SS*.THydrogen-bonded Turntrans55.526.4-173.8-59.2-172.3165.700114.3F358 R359F358-E362 PolarHBondContact O-N 3.12Å; R359-E362 PolarHBondContact O-N 2.93Å
363G82.4Confident79.2Confident18 Ų1899.9 Ų99.919%0.18650%0.499CS..SBendtrans159.1-170.7-174.900000113F358 N361F358-G363 VanDerWaalsContact CD2-C 3.46Å; F358-G363 WeakPolarHBondContact CD2-O 3.31Å; F358-G363 PolarHBondContact O-N 3.12Å; N361-G363 PolarHBondContact O-N 3.36Å
364W79.9Confident79.2Confident78 Ų78100.1 Ų100.130%0.29550%0.498SS..  trans-75.4151.5167.7-54.8105.6000109.6K346 M350 F358 D368K346-W364 HydrophobicContact CB-CH2 3.71Å; K346-W364 HydrophobicContact CB-CZ2 3.85Å; K346-W364 HydrophobicContact CD-CD2 4.16Å; K346-W364 HydrophobicContact CD-CE3 3.93Å; K346-W364 HydrophobicContact CD-CH2 3.3Å; K346-W364 HydrophobicContact CD-CZ2 3.55Å; K346-W364 HydrophobicContact CD-CZ3 3.52Å; K346-W364 VanDerWaalsContact CE-CE3 3.41Å; K346-W364 HydrophobicContact CG-CH2 3.24Å; K346-W364 HydrophobicContact CG-CZ2 3.78Å; K346-W364 HydrophobicContact CG-CZ3 3.76Å; M350-W364 HydrophobicContact CE-CH2 3.16Å; M350-W364 HydrophobicContact CE-CZ2 4.06Å; M350-W364 HydrophobicContact CE-CZ3 3.67Å; F358-W364 AromaticContact CD2-CD2 3.79Å; F358-W364 HydrophobicContact CD2-CD2 3.79Å; F358-W364 AromaticContact CD2-CE2 3.92Å; F358-W364 AromaticContact CD2-CE3 3.95Å; F358-W364 HydrophobicContact CD2-CE3 3.95Å; F358-W364 HydrophobicContact CD2-CG 4.26Å; F358-W364 HydrophobicContact CD2-CH2 4.35Å; F358-W364 HydrophobicContact CD2-CZ2 4.22Å; F358-W364 HydrophobicContact CD2-CZ3 4.21Å; F358-W364 AromaticContact CE2-CD1 3.99Å; F358-W364 AromaticContact CE2-CD2 3.86Å; F358-W364 HydrophobicContact CE2-CD2 3.86Å; F358-W364 AromaticContact CE2-CE2 3.65Å; F358-W364 HydrophobicContact CE2-CE3 4.47Å; F358-W364 HydrophobicContact CE2-CG 4.08Å; F358-W364 HydrophobicContact CE2-CZ2 4.1Å; F358-W364 AromaticContact CE2-NE1 3.74Å; W364-D368 HydrophobicContact CB-CB 4.37Å
365E70.3Confident79.3Confident103 Ų10395.8 Ų95.848%0.48148%0.478SS..  trans-70.2147.6172.4-64.2-172.7167.800110N361 D367 D368N361-E365 VanDerWaalsContact ND2-CG 3.27Å; N361-E365 WeakPolarHBondContact ND2-CG 3.28Å; N361-E365 PolarHBondContact ND2-OE1 2.81Å; E365-D367 PolarHBondContact O-N 2.66Å; E365-D368 WeakPolarHBondContact O-CA 3.38Å; E365-D368 VanDerWaalsContact O-CB 3.32Å; E365-D368 WeakPolarHBondContact O-CB 3.36Å; E365-D368 PolarHBondContact O-N 3.02Å
366D57Low79.5Confident140 Ų14098.2 Ų98.275%0.74950%0.495SS*.G310 helixtrans-57-24.6-177.7-59.9-23.1000113.2D368D366-D368 VanDerWaalsContact C-N 3.31Å
367D56.2Low79.8Confident160 Ų160101.1 Ų101.186%0.85650%0.503SS*.G310 helixtrans-80.6-8.4176.8-71.5-23.7000113.4E365E365-D367 PolarHBondContact O-N 2.66Å
368D58.7Low80.2Confident79 Ų7997.2 Ų97.242%0.42249%0.491SS..G310 helixtrans-98.64.9179-80.6-28.9000113.5K346 W364 E365 D366 D370K346-D368 PolarHBondContact NZ-O 3.44Å; W364-D368 HydrophobicContact CB-CB 4.37Å; E365-D368 WeakPolarHBondContact O-CA 3.38Å; E365-D368 VanDerWaalsContact O-CB 3.32Å; E365-D368 WeakPolarHBondContact O-CB 3.36Å; E365-D368 PolarHBondContact O-N 3.02Å; D366-D368 VanDerWaalsContact C-N 3.31Å; D368-D370 PolarHBondContact O-N 2.95Å
369E59.4Low80.6Confident161 Ų16196 Ų9675%0.75249%0.486SS*.  trans-67.395.2171.2-73.2-172.8172.500109.2D371E369-D371 PolarHBondContact O-N 3.09Å
370D66.9Low81Confident78 Ų7890.2 Ų90.242%0.41747%0.467SS..  trans-62.8119.8173.6-77-56.7000108.7H342 K346 D368 D372 I375H342-D370 IonicContact CE1-OD2 2.82Å; H342-D370 PolarHBondContact CE1-OD2 2.92Å; H342-D370 IonicContact NE2-OD2 3.82Å; H342-D370 PolarHBondContact NE2-OD2 3.12Å; K346-D370 IonicContact NZ-OD2 3.24Å; D368-D370 PolarHBondContact O-N 2.95Å; D370-D372 PolarHBondContact O-N 2.74Å; D370-I375 HydrophobicContact CB-CD1 3.86Å; D370-I375 HydrophobicContact CB-CG1 3.86Å; D370-I375 WeakPolarHBondContact O-CD1 3.42Å
371D80.9Confident81.4Confident75 Ų7585.5 Ų85.540%0.40144%0.441SS..  trans-44.2118.5172.8-179.8-4.9000111.9E369 D373 K374 I375E369-D371 PolarHBondContact O-N 3.09Å; D371-D373 PolarHBondContact O-N 2.91Å; D371-D373 VanDerWaalsContact O-N 3.16Å; D371-D373 PolarHBondContact OD1-N 3.46Å; D371-K374 HydrophobicContact CB-CB 4.26Å; D371-K374 HydrophobicContact CB-CD 4.06Å; D371-K374 HydrophobicContact CB-CG 3.86Å; D371-K374 VanDerWaalsContact CB-NZ 3.27Å; D371-K374 WeakPolarHBondContact O-CA 3.38Å; D371-K374 VanDerWaalsContact O-CB 3.26Å; D371-K374 WeakPolarHBondContact O-CB 3.35Å; D371-K374 PolarHBondContact O-N 3.37Å; D371-K374 IonicContact OD2-NZ 3.44Å; D371-K374 PolarHBondContact OD2-NZ 3.02Å; D371-I375 PolarHBondContact O-N 3.3Å; D371-I375 VanDerWaalsContact O-N 3.08Å
372D83.7Confident81.9Confident105 Ų10589.1 Ų89.156%0.56146%0.456SS*.Hα-helixtrans-52.4-40.1-174.6-74.1-33000112.4D370 K374 I375 S376D370-D372 PolarHBondContact O-N 2.74Å; D372-K374 PolarHBondContact O-N 3.07Å; D372-I375 WeakPolarHBondContact O-CB 3.42Å; D372-I375 PolarHBondContact O-N 3.35Å; D372-S376 PolarHBondContact O-N 2.67Å; D372-S376 PolarHBondContact O-OG 2.92Å
373D87.4Confident82.6Confident130 Ų13080.7 Ų80.770%0.69542%0.419SS*.Hα-helixtrans-61.1-34.6176.9-78.5-22.4000111.7D371 Q377D371-D373 PolarHBondContact O-N 2.91Å; D371-D373 VanDerWaalsContact O-N 3.16Å; D371-D373 PolarHBondContact OD1-N 3.46Å; D373-Q377 VanDerWaalsContact O-CB 3.3Å; D373-Q377 WeakPolarHBondContact O-CB 3.44Å; D373-Q377 PolarHBondContact O-N 3.01Å
374K90.1Very high83.3Confident130 Ų13079.8 Ų79.857%0.56541%0.41SS*.Hα-helixtrans-73-37.7175.3-61.6-169.3-170.389.30111.4D371 D372 A378D371-K374 HydrophobicContact CB-CB 4.26Å; D371-K374 HydrophobicContact CB-CD 4.06Å; D371-K374 HydrophobicContact CB-CG 3.86Å; D371-K374 VanDerWaalsContact CB-NZ 3.27Å; D371-K374 WeakPolarHBondContact O-CA 3.38Å; D371-K374 VanDerWaalsContact O-CB 3.26Å; D371-K374 WeakPolarHBondContact O-CB 3.35Å; D371-K374 PolarHBondContact O-N 3.37Å; D371-K374 IonicContact OD2-NZ 3.44Å; D371-K374 PolarHBondContact OD2-NZ 3.02Å; D372-K374 PolarHBondContact O-N 3.07Å; K374-A378 VanDerWaalsContact O-CB 3.28Å; K374-A378 WeakPolarHBondContact O-CB 3.36Å; K374-A378 PolarHBondContact O-N 3.34Å
375I92.6Very high84.1Confident14 Ų1478.1 Ų78.17%0.07241%0.409CS..Hα-helixtrans-61.2-54.8175-63.1178.3000108.9D338 H342 D370 D371 D372 Q377 A378 F379D338-I375 HydrophobicContact CB-CG2 4Å; H342-I375 HydrophobicContact CB-CG2 4Å; D370-I375 HydrophobicContact CB-CD1 3.86Å; D370-I375 HydrophobicContact CB-CG1 3.86Å; D370-I375 WeakPolarHBondContact O-CD1 3.42Å; D371-I375 PolarHBondContact O-N 3.3Å; D371-I375 VanDerWaalsContact O-N 3.08Å; D372-I375 WeakPolarHBondContact O-CB 3.42Å; D372-I375 PolarHBondContact O-N 3.35Å; I375-Q377 VanDerWaalsContact C-N 3.3Å; I375-Q377 PolarHBondContact O-N 3.25Å; I375-A378 WeakPolarHBondContact O-CA 3.33Å; I375-A378 WeakPolarHBondContact O-CB 3.25Å; I375-A378 PolarHBondContact O-N 3.27Å; I375-F379 HydrophobicContact CG2-CD2 3.79Å; I375-F379 HydrophobicContact CG2-CE2 4.06Å; I375-F379 VanDerWaalsContact O-CD2 3.3Å; I375-F379 WeakPolarHBondContact O-CD2 3.41Å; I375-F379 PolarHBondContact O-N 2.98Å
376S93.6Very high85.3Confident53 Ų5380.1 Ų80.137%0.37142%0.423SS..Hα-helixtrans-58.3-40.9179.3-61.50000112.8D338 D372 A378 F379 S380D338-S376 WeakPolarHBondContact OD2-CA 3.31Å; D338-S376 WeakPolarHBondContact OD2-CB 3.38Å; D338-S376 PolarHBondContact OD2-OG 3.27Å; D372-S376 PolarHBondContact O-N 2.67Å; D372-S376 PolarHBondContact O-OG 2.92Å; S376-A378 PolarHBondContact O-N 3.42Å; S376-F379 PolarHBondContact O-N 3.19Å; S376-S380 PolarHBondContact O-N 2.97Å
377Q94.8Very high87.2Confident112 Ų11274.2 Ų74.252%0.52339%0.392SS..Hα-helixtrans-64.1-39.5174.6-17461.647.200112.3D373 I375 S380D373-Q377 VanDerWaalsContact O-CB 3.3Å; D373-Q377 WeakPolarHBondContact O-CB 3.44Å; D373-Q377 PolarHBondContact O-N 3.01Å; I375-Q377 VanDerWaalsContact C-N 3.3Å; I375-Q377 PolarHBondContact O-N 3.25Å; Q377-S380 WeakPolarHBondContact O-CB 3.43Å; Q377-S380 PolarHBondContact O-N 2.84Å; Q377-S380 PolarHBondContact O-OG 2.97Å
378A95.8Very high89.1Confident33 Ų3373.3 Ų73.327%0.27338%0.38SS..Hα-helixtrans-68.8-34.2179.500000112.9K374 I375 S376 G383 L384 L387K374-A378 VanDerWaalsContact O-CB 3.28Å; K374-A378 WeakPolarHBondContact O-CB 3.36Å; K374-A378 PolarHBondContact O-N 3.34Å; I375-A378 WeakPolarHBondContact O-CA 3.33Å; I375-A378 WeakPolarHBondContact O-CB 3.25Å; I375-A378 PolarHBondContact O-N 3.27Å; S376-A378 PolarHBondContact O-N 3.42Å; A378-G383 CarbonylContact O-C 3.04Å; A378-G383 WeakPolarHBondContact O-CA 3.35Å; A378-L384 PolarHBondContact O-N 2.87Å; A378-L384 VanDerWaalsContact O-N 3.17Å; A378-L387 HydrophobicContact CB-CD2 4.1Å
379F97.2Very high90.8Very high1 Ų173.2 Ų73.20%0.00439%0.386CS..Hα-helixtrans-94.65.1178.2-69.5-81.3000114.1G334 C335 D338 L341 H342 L345 I375 S376 L384 L387 W391 I395G334-F379 WeakPolarHBondContact CA-O 3.33Å; C335-F379 HydrophobicContact CB-CB 3.99Å; C335-F379 PolarHBondContact N-O 3.47Å; D338-F379 HydrophobicContact CB-CB 3.68Å; D338-F379 HydrophobicContact CB-CD2 4.07Å; D338-F379 HydrophobicContact CB-CG 4.06Å; L341-F379 HydrophobicContact CD2-CD1 3.73Å; L341-F379 HydrophobicContact CD2-CE1 3.84Å; L341-F379 HydrophobicContact CG-CD1 4.29Å; L341-F379 HydrophobicContact CG-CE1 3.95Å; H342-F379 HydrophobicContact CB-CD2 4.49Å; H342-F379 HydrophobicContact CB-CE2 3.59Å; H342-F379 HydrophobicContact CB-CZ 3.95Å; H342-F379 AromaticContact CD2-CE2 3.8Å; L345-F379 HydrophobicContact CD1-CE1 3.64Å; L345-F379 HydrophobicContact CD1-CZ 3.93Å; I375-F379 HydrophobicContact CG2-CD2 3.79Å; I375-F379 HydrophobicContact CG2-CE2 4.06Å; I375-F379 VanDerWaalsContact O-CD2 3.3Å; I375-F379 WeakPolarHBondContact O-CD2 3.41Å; I375-F379 PolarHBondContact O-N 2.98Å; S376-F379 PolarHBondContact O-N 3.19Å; F379-L384 HydrophobicContact CD1-CD2 4.32Å; F379-L387 HydrophobicContact CD1-CD1 4.05Å; F379-L387 HydrophobicContact CE1-CD1 3.8Å; F379-L387 HydrophobicContact CZ-CD1 4.45Å; F379-W391 HydrophobicContact CZ-CE3 4.11Å; F379-W391 HydrophobicContact CZ-CZ3 4.01Å; F379-I395 HydrophobicContact CE1-CD1 4.29Å
380S97.6Very high92.4Very high21 Ų2168.6 Ų68.615%0.14737%0.37CS..BIsolated β-bridgetrans-67.1163165.876.90000112.1Q333 S376 Q377 E382 G383 L384Q333-S380 CarbonylContact O-C 3.57Å; Q333-S380 WeakPolarHBondContact O-CA 3.39Å; S376-S380 PolarHBondContact O-N 2.97Å; Q377-S380 WeakPolarHBondContact O-CB 3.43Å; Q377-S380 PolarHBondContact O-N 2.84Å; Q377-S380 PolarHBondContact O-OG 2.97Å; S380-E382 PolarHBondContact O-N 3.04Å; S380-E382 VanDerWaalsContact O-N 3.14Å; S380-E382 PolarHBondContact OG-N 3.39Å; S380-G383 PolarHBondContact O-N 2.91Å; S380-G383 PolarHBondContact OG-N 2.85Å; S380-G383 VanDerWaalsContact OG-N 3.11Å; S380-L384 VanDerWaalsContact O-CG 3.26Å; S380-L384 WeakPolarHBondContact O-CG 3.48Å; S380-L384 PolarHBondContact O-N 2.98Å
381N96.2Very high93.8Very high35 Ų3566 Ų6619%0.18735%0.354CS..THydrogen-bonded Turntrans-58.8-25.1173.7-82.2-12.5000114.1D332 Q333 L451D332-N381 PolarHBondContact O-ND2 2.87Å; Q333-N381 PolarHBondContact O-N 2.95Å; N381-L451 HydrophobicContact CB-CD1 3.99Å; N381-L451 VanDerWaalsContact OD1-CD1 3.25Å; N381-L451 WeakPolarHBondContact OD1-CD1 3.43Å
382E96.6Very high94.5Very high157 Ų15763.2 Ų63.273%0.73434%0.339SS*.THydrogen-bonded Turntrans-81.3-33.9175.4-61.8-170.7165.700112S380S380-E382 PolarHBondContact O-N 3.04Å; S380-E382 VanDerWaalsContact O-N 3.14Å; S380-E382 PolarHBondContact OG-N 3.39Å
383G96.8Very high95.1Very high11 Ų1163.1 Ų63.111%0.11333%0.331CS..THydrogen-bonded Turntrans-85.4-32.5-178.200000114.9A378 S380 P385 D386 L387A378-G383 CarbonylContact O-C 3.04Å; A378-G383 WeakPolarHBondContact O-CA 3.35Å; S380-G383 PolarHBondContact O-N 2.91Å; S380-G383 PolarHBondContact OG-N 2.85Å; S380-G383 VanDerWaalsContact OG-N 3.11Å; G383-P385 VanDerWaalsContact C-N 3.32Å; G383-P385 VanDerWaalsContact O-N 3.16Å; G383-D386 PolarHBondContact O-N 2.98Å; G383-L387 PolarHBondContact O-N 2.74Å
384L97.1Very high95.5Very high0 Ų057.1 Ų57.10%030%0.298CS..G310 helixtrans-49.4-42-177.6-80.1167.3000114.3A378 F379 S380 D386 L387 K392 I395 L448 L451A378-L384 PolarHBondContact O-N 2.87Å; A378-L384 VanDerWaalsContact O-N 3.17Å; F379-L384 HydrophobicContact CD1-CD2 4.32Å; S380-L384 VanDerWaalsContact O-CG 3.26Å; S380-L384 WeakPolarHBondContact O-CG 3.48Å; S380-L384 PolarHBondContact O-N 2.98Å; L384-D386 PolarHBondContact O-N 3.45Å; L384-L387 HydrophobicContact CD2-CD1 3.79Å; L384-L387 PolarHBondContact O-N 2.9Å; L384-K392 WeakPolarHBondContact O-CD 3.48Å; L384-I395 HydrophobicContact CD2-CD1 4.18Å; L384-L448 HydrophobicContact CD1-CD1 3.69Å; L384-L448 HydrophobicContact CD2-CD1 4.35Å; L384-L451 HydrophobicContact CB-CB 4.29Å; L384-L451 HydrophobicContact CD1-CD1 4.08Å
385P97.2Very high95.9Very high42 Ų4251.1 Ų51.127%0.27327%0.272SS..G310 helixtrans-63.2-26.2177-24.336.3000114.8G383 K392 L451G383-P385 VanDerWaalsContact C-N 3.32Å; G383-P385 VanDerWaalsContact O-N 3.16Å; P385-K392 WeakPolarHBondContact O-CD 3.14Å; P385-K392 PolarHBondContact O-NZ 3.37Å; P385-L451 HydrophobicContact CG-CB 4.41Å; P385-L451 HydrophobicContact CG-CD2 3.93Å
386D96.5Very high96.1Very high145 Ų14552.9 Ų52.978%0.77528%0.28SS*.G310 helixtrans-93.8-3.9-175-68.5-28.1000113.1G383 L384G383-D386 PolarHBondContact O-N 2.98Å; L384-D386 PolarHBondContact O-N 3.45Å
387L96.3Very high96.3Very high17 Ų1751.5 Ų51.59%0.08927%0.268CS..SBendtrans-59.2156.2174.4-68.7-177.9000112.5A378 F379 G383 L384 S389 W391 K392 I395A378-L387 HydrophobicContact CB-CD2 4.1Å; F379-L387 HydrophobicContact CD1-CD1 4.05Å; F379-L387 HydrophobicContact CE1-CD1 3.8Å; F379-L387 HydrophobicContact CZ-CD1 4.45Å; G383-L387 PolarHBondContact O-N 2.74Å; L384-L387 HydrophobicContact CD2-CD1 3.79Å; L384-L387 PolarHBondContact O-N 2.9Å; L387-S389 PolarHBondContact O-N 2.85Å; L387-W391 HydrophobicContact CD2-CE3 4.26Å; L387-K392 HydrophobicContact CB-CD 4.25Å; L387-K392 HydrophobicContact CB-CG 3.64Å; L387-K392 WeakPolarHBondContact O-CD 3.36Å; L387-K392 WeakPolarHBondContact O-CE 3.48Å; L387-I395 HydrophobicContact CD1-CD1 3.84Å
388K95.1Very high96.4Very high140 Ų14046.2 Ų46.261%0.60924%0.243SC*.  trans-53.9137.2175.2-62174.9-177168.70110.2P390 W391 K392K388-P390 VanDerWaalsContact C-CD 3.42Å; K388-P390 VanDerWaalsContact C-N 3.34Å; K388-W391 HydrophobicContact CB-CG 4.29Å; K388-W391 WeakPolarHBondContact O-CA 3.43Å; K388-W391 WeakPolarHBondContact O-CB 3.34Å; K388-W391 PolarHBondContact O-N 3.01Å; K388-K392 PolarHBondContact O-N 3.16Å; K388-K392 VanDerWaalsContact O-N 3.08Å
389S94.9Very high96.5Very high78 Ų7844.6 Ų44.655%0.54523%0.23SC..Hα-helixtrans-51.9-40.6-177.3-55.60000114.9L387 W391 R393L387-S389 PolarHBondContact O-N 2.85Å; S389-W391 VanDerWaalsContact C-N 3.29Å; S389-W391 PolarHBondContact O-N 3.44Å; S389-R393 WeakPolarHBondContact O-CB 3.41Å; S389-R393 PolarHBondContact O-N 3.41Å; S389-R393 VanDerWaalsContact O-N 3.09Å
390P93.8Very high96.5Very high64 Ų6448.6 Ų48.642%0.41625%0.245SC..Hα-helixtrans-60.1-38.8175.4-2435.3000112.9K388 L394K388-P390 VanDerWaalsContact C-CD 3.42Å; K388-P390 VanDerWaalsContact C-N 3.34Å; P390-L394 WeakPolarHBondContact O-CG 3.47Å; P390-L394 PolarHBondContact O-N 2.93Å; P390-L394 VanDerWaalsContact O-N 3.14Å
391W96.1Very high96.4Very high22 Ų2248.2 Ų48.28%0.08324%0.241CC..Hα-helixtrans-71-49.3-178.8-66.410.6000111.2H342 L345 K346 C349 F379 L387 K388 S389 R393 L394 I395H342-W391 AromaticContact CD2-CH2 3.44Å; H342-W391 VanDerWaalsContact CD2-CH2 3.44Å; H342-W391 WeakPolarHBondContact CD2-CH2 3.29Å; H342-W391 AromaticContact CD2-CZ3 3.55Å; H342-W391 AromaticContact NE2-CH2 3.42Å; H342-W391 WeakPolarHBondContact NE2-CH2 3.46Å; H342-W391 AromaticContact NE2-CZ3 3.94Å; L345-W391 HydrophobicContact CB-CD2 3.86Å; L345-W391 HydrophobicContact CB-CE3 4.29Å; L345-W391 HydrophobicContact CB-CG 4.02Å; L345-W391 HydrophobicContact CB-CZ2 4.45Å; L345-W391 HydrophobicContact CD1-CB 4.21Å; L345-W391 HydrophobicContact CD1-CD2 4.33Å; L345-W391 HydrophobicContact CD1-CE3 4.24Å; L345-W391 HydrophobicContact CD1-CG 4.35Å; L345-W391 HydrophobicContact CD2-CB 4.42Å; L345-W391 PolarHBondContact O-NE1 3.19Å; K346-W391 HydrophobicContact CB-CZ2 4.24Å; K346-W391 HydrophobicContact CG-CZ2 4.47Å; C349-W391 VanDerWaalsContact SG-CD1 3.58Å; F379-W391 HydrophobicContact CZ-CE3 4.11Å; F379-W391 HydrophobicContact CZ-CZ3 4.01Å; L387-W391 HydrophobicContact CD2-CE3 4.26Å; K388-W391 HydrophobicContact CB-CG 4.29Å; K388-W391 WeakPolarHBondContact O-CA 3.43Å; K388-W391 WeakPolarHBondContact O-CB 3.34Å; K388-W391 PolarHBondContact O-N 3.01Å; S389-W391 VanDerWaalsContact C-N 3.29Å; S389-W391 PolarHBondContact O-N 3.44Å; W391-R393 VanDerWaalsContact C-N 3.26Å; W391-R393 PolarHBondContact O-N 3.06Å; W391-L394 PolarHBondContact O-N 2.7Å; W391-L394 VanDerWaalsContact O-N 3.13Å; W391-I395 WeakPolarHBondContact O-CG1 3.37Å; W391-I395 PolarHBondContact O-N 2.92Å
392K95.9Very high96.4Very high17 Ų1746.7 Ų46.77%0.07423%0.234CC..Hα-helixtrans-54.1-45.6175.9-69.3-167.4-63.6-178.30111.7L384 P385 L387 K388 L394 I395 H396 S454L384-K392 WeakPolarHBondContact O-CD 3.48Å; P385-K392 WeakPolarHBondContact O-CD 3.14Å; P385-K392 PolarHBondContact O-NZ 3.37Å; L387-K392 HydrophobicContact CB-CD 4.25Å; L387-K392 HydrophobicContact CB-CG 3.64Å; L387-K392 WeakPolarHBondContact O-CD 3.36Å; L387-K392 WeakPolarHBondContact O-CE 3.48Å; K388-K392 PolarHBondContact O-N 3.16Å; K388-K392 VanDerWaalsContact O-N 3.08Å; K392-L394 PolarHBondContact O-N 3.33Å; K392-I395 PolarHBondContact O-N 3.28Å; K392-H396 VanDerWaalsContact O-CB 3.24Å; K392-H396 WeakPolarHBondContact O-CB 3.28Å; K392-H396 PolarHBondContact O-N 3.37Å; K392-S454 WeakPolarHBondContact CE-O 3.42Å; K392-S454 PolarHBondContact NZ-O 3.18Å; K392-S454 PolarHBondContact NZ-OG 2.82Å
393R95.8Very high96.4Very high104 Ų10440.4 Ų40.439%0.39221%0.205SC..Hα-helixtrans-62.8-41.6179.5-171.7-172.267.983.28.1112.7D301 S389 W391 H396 E397D301-R393 VanDerWaalsContact CG-CZ 3.46Å; D301-R393 VanDerWaalsContact CG-NH2 3.26Å; D301-R393 IonicContact OD1-CZ 3.45Å; D301-R393 IonicContact OD1-NH1 2.72Å; D301-R393 PolarHBondContact OD1-NH1 3.38Å; D301-R393 IonicContact OD1-NH2 3.67Å; D301-R393 IonicContact OD2-CZ 3.03Å; D301-R393 IonicContact OD2-NH1 2.66Å; D301-R393 PolarHBondContact OD2-NH1 3.47Å; D301-R393 IonicContact OD2-NH2 2.72Å; D301-R393 PolarHBondContact OD2-NH2 3.18Å; S389-R393 WeakPolarHBondContact O-CB 3.41Å; S389-R393 PolarHBondContact O-N 3.41Å; S389-R393 VanDerWaalsContact O-N 3.09Å; W391-R393 VanDerWaalsContact C-N 3.26Å; W391-R393 PolarHBondContact O-N 3.06Å; R393-H396 PolarHBondContact O-N 3.27Å; R393-E397 WeakPolarHBondContact O-CB 3.32Å; R393-E397 PolarHBondContact O-N 2.87Å
394L96.1Very high96.3Very high4 Ų446.4 Ų46.42%0.02122%0.224CC..Hα-helixtrans-64.9-46.8176.5-74.5-178.3000111.7L294 A297 A298 L345 L348 C349 P390 W391 K392 H396 E397 A398L294-L394 HydrophobicContact CD1-CB 3.92Å; A297-L394 HydrophobicContact CB-CD2 4.34Å; A298-L394 VanDerWaalsContact CA-CD2 3.49Å; A298-L394 HydrophobicContact CB-CD2 3.67Å; L345-L394 HydrophobicContact CD2-CB 3.96Å; L345-L394 HydrophobicContact CD2-CD1 3.99Å; L348-L394 HydrophobicContact CB-CD1 4.38Å; C349-L394 WeakPolarHBondContact SG-CD1 3.48Å; P390-L394 WeakPolarHBondContact O-CG 3.47Å; P390-L394 PolarHBondContact O-N 2.93Å; P390-L394 VanDerWaalsContact O-N 3.14Å; W391-L394 PolarHBondContact O-N 2.7Å; W391-L394 VanDerWaalsContact O-N 3.13Å; K392-L394 PolarHBondContact O-N 3.33Å; L394-H396 VanDerWaalsContact C-N 3.33Å; L394-H396 PolarHBondContact O-N 2.99Å; L394-E397 PolarHBondContact O-N 2.92Å; L394-A398 VanDerWaalsContact O-CB 3.24Å; L394-A398 WeakPolarHBondContact O-CB 3.37Å; L394-A398 PolarHBondContact O-N 3.19Å
395I97.8Very high96.1Very high3 Ų348.7 Ų48.72%0.01524%0.24CC..Hα-helixtrans-60.1-46.1176.2-61.6166.9000110.1F330 L341 L345 F379 L384 L387 W391 K392 E397 A398 A399 L448 T452F330-I395 HydrophobicContact CZ-CG2 4.22Å; L341-I395 HydrophobicContact CD2-CD1 4.41Å; L345-I395 HydrophobicContact CD1-CD1 3.83Å; L345-I395 HydrophobicContact CD1-CG1 4.02Å; L345-I395 HydrophobicContact CD2-CG1 4.3Å; F379-I395 HydrophobicContact CE1-CD1 4.29Å; L384-I395 HydrophobicContact CD2-CD1 4.18Å; L387-I395 HydrophobicContact CD1-CD1 3.84Å; W391-I395 WeakPolarHBondContact O-CG1 3.37Å; W391-I395 PolarHBondContact O-N 2.92Å; K392-I395 PolarHBondContact O-N 3.28Å; I395-E397 PolarHBondContact O-N 3.41Å; I395-A398 PolarHBondContact O-N 2.92Å; I395-A399 WeakPolarHBondContact O-CB 3.49Å; I395-A399 PolarHBondContact O-N 3.43Å; I395-L448 HydrophobicContact CG2-CD1 3.81Å; I395-L448 HydrophobicContact CG2-CD2 3.9Å; I395-L448 HydrophobicContact CG2-CG 3.99Å; I395-T452 HydrophobicContact CB-CG2 4.2Å; I395-T452 HydrophobicContact CG2-CG2 3.91Å
396H97.8Very high95.9Very high52 Ų5247.3 Ų47.324%0.24123%0.229CC..Hα-helixtrans-58.3-50.5179.1-169.991.9000111.9K392 R393 L394 A399 R400 L449 T452K392-H396 VanDerWaalsContact O-CB 3.24Å; K392-H396 WeakPolarHBondContact O-CB 3.28Å; K392-H396 PolarHBondContact O-N 3.37Å; R393-H396 PolarHBondContact O-N 3.27Å; L394-H396 VanDerWaalsContact C-N 3.33Å; L394-H396 PolarHBondContact O-N 2.99Å; H396-A399 PolarHBondContact O-N 2.79Å; H396-R400 WeakPolarHBondContact O-CB 3.25Å; H396-R400 PolarHBondContact O-N 3.1Å; H396-L449 PolarHBondContact CE1-O 3.01Å; H396-L449 PolarHBondContact ND1-O 3.17Å; H396-L449 VanDerWaalsContact ND1-O 3.16Å; H396-L449 WeakPolarHBondContact O-CD2 3.48Å; H396-T452 WeakPolarHBondContact CB-OG1 3.44Å; H396-T452 PolarHBondContact ND1-OG1 3.47Å
397E97Very high95.4Very high23 Ų2341.6 Ų41.611%0.10721%0.205CC..Hα-helixtrans-69.7-36.7-178.3-179.356.6-152.700111.6A297 Q300 R393 L394 I395 R400 L401A297-E397 HydrophobicContact CB-CB 3.77Å; A297-E397 HydrophobicContact CB-CG 3.61Å; Q300-E397 PolarHBondContact NE2-OE1 3.5Å; Q300-E397 PolarHBondContact OE1-OE1 3.25Å; R393-E397 WeakPolarHBondContact O-CB 3.32Å; R393-E397 PolarHBondContact O-N 2.87Å; L394-E397 PolarHBondContact O-N 2.92Å; I395-E397 PolarHBondContact O-N 3.41Å; E397-R400 VanDerWaalsContact CD-NH2 3.29Å; E397-R400 WeakPolarHBondContact O-CB 3.39Å; E397-R400 PolarHBondContact O-N 3.36Å; E397-R400 IonicContact OE1-CZ 3.28Å; E397-R400 IonicContact OE1-NE 3.25Å; E397-R400 PolarHBondContact OE1-NE 3.09Å; E397-R400 IonicContact OE1-NH2 2.63Å; E397-R400 PolarHBondContact OE1-NH2 3.27Å; E397-R400 IonicContact OE2-CZ 3.24Å; E397-R400 IonicContact OE2-NE 2.75Å; E397-R400 PolarHBondContact OE2-NE 3.3Å; E397-R400 IonicContact OE2-NH2 3.79Å; E397-R400 PolarHBondContact OE2-NH2 2.73Å; E397-R400 VanDerWaalsContact OE2-NH2 3.13Å; E397-L401 HydrophobicContact CG-CD1 4.36Å; E397-L401 VanDerWaalsContact O-CG 3.29Å; E397-L401 WeakPolarHBondContact O-CG 3.47Å; E397-L401 PolarHBondContact O-N 2.94Å
398A97.2Very high94.4Very high1 Ų149 Ų491%0.00824%0.244CC..Hα-helixtrans-61.6-47.6173.500000111.4I289 C293 L294 A297 L394 I395 R400 L401 T402I289-A398 HydrophobicContact CG2-CB 3.77Å; C293-A398 HydrophobicContact CB-CB 4.39Å; L294-A398 HydrophobicContact CB-CB 4.35Å; L294-A398 HydrophobicContact CD1-CB 4.15Å; A297-A398 HydrophobicContact CB-CB 4.36Å; L394-A398 VanDerWaalsContact O-CB 3.24Å; L394-A398 WeakPolarHBondContact O-CB 3.37Å; L394-A398 PolarHBondContact O-N 3.19Å; I395-A398 PolarHBondContact O-N 2.92Å; A398-R400 VanDerWaalsContact C-N 3.29Å; A398-R400 PolarHBondContact O-N 3.45Å; A398-L401 PolarHBondContact O-N 3.13Å; A398-T402 PolarHBondContact O-N 3.21Å; A398-T402 PolarHBondContact O-OG1 3.21Å
399A97.6Very high93.2Very high0 Ų044.2 Ų44.20%023%0.232CC..Hα-helixtrans-60.4-39.1175.800000112.1I289 I395 H396 T402 L403 L445 L448 L449I289-A399 HydrophobicContact CD1-CB 3.84Å; I395-A399 WeakPolarHBondContact O-CB 3.49Å; I395-A399 PolarHBondContact O-N 3.43Å; H396-A399 PolarHBondContact O-N 2.79Å; A399-T402 PolarHBondContact O-N 2.66Å; A399-L403 PolarHBondContact O-N 2.93Å; A399-L445 HydrophobicContact CB-CD2 4.45Å; A399-L448 HydrophobicContact CB-CD2 3.92Å; A399-L448 HydrophobicContact CB-CG 4.38Å; A399-L449 HydrophobicContact CB-CD2 3.87Å; A399-L449 HydrophobicContact CB-CG 4.36Å
400R96.3Very high92.5Very high85 Ų8547.4 Ų47.432%0.32124%0.238SC..Hα-helixtrans-64.5-41.6175.8-167.9-172.175.4132.3-1.9112.1H396 E397 A398 L403 R404 L449H396-R400 WeakPolarHBondContact O-CB 3.25Å; H396-R400 PolarHBondContact O-N 3.1Å; E397-R400 VanDerWaalsContact CD-NH2 3.29Å; E397-R400 WeakPolarHBondContact O-CB 3.39Å; E397-R400 PolarHBondContact O-N 3.36Å; E397-R400 IonicContact OE1-CZ 3.28Å; E397-R400 IonicContact OE1-NE 3.25Å; E397-R400 PolarHBondContact OE1-NE 3.09Å; E397-R400 IonicContact OE1-NH2 2.63Å; E397-R400 PolarHBondContact OE1-NH2 3.27Å; E397-R400 IonicContact OE2-CZ 3.24Å; E397-R400 IonicContact OE2-NE 2.75Å; E397-R400 PolarHBondContact OE2-NE 3.3Å; E397-R400 IonicContact OE2-NH2 3.79Å; E397-R400 PolarHBondContact OE2-NH2 2.73Å; E397-R400 VanDerWaalsContact OE2-NH2 3.13Å; A398-R400 VanDerWaalsContact C-N 3.29Å; A398-R400 PolarHBondContact O-N 3.45Å; R400-L403 PolarHBondContact O-N 3.01Å; R400-R404 WeakPolarHBondContact O-CG 3.25Å; R400-R404 PolarHBondContact O-N 2.83Å; R400-L449 HydrophobicContact CB-CD2 4.15Å
401L95.9Very high92.3Very high12 Ų1245.3 Ų45.36%0.06322%0.223CC..Hα-helixtrans-65.4-43.1174.7-70.3169.5000111.3C293 Q296 A297 E397 A398 L403 R404C293-L401 HydrophobicContact CB-CB 4.2Å; C293-L401 WeakPolarHBondContact O-CD1 3.36Å; Q296-L401 HydrophobicContact CB-CD1 3.8Å; Q296-L401 HydrophobicContact CG-CD1 3.67Å; Q296-L401 HydrophobicContact CG-CD2 4.46Å; A297-L401 HydrophobicContact CB-CD1 4.27Å; E397-L401 HydrophobicContact CG-CD1 4.36Å; E397-L401 VanDerWaalsContact O-CG 3.29Å; E397-L401 WeakPolarHBondContact O-CG 3.47Å; E397-L401 PolarHBondContact O-N 2.94Å; A398-L401 PolarHBondContact O-N 3.13Å; L401-L403 PolarHBondContact O-N 3.32Å; L401-R404 WeakPolarHBondContact O-CB 3.41Å; L401-R404 PolarHBondContact O-N 3.29Å; L401-R404 VanDerWaalsContact O-N 3.16Å
402T96.7Very high92Very high4 Ų449.8 Ų49.83%0.02525%0.245CC..Hα-helixtrans-57.5-46.7173.9-59.40000111.2D288 A398 A399 R404 S405 Y406 L445D288-T402 VanDerWaalsContact O-CG2 3.31Å; D288-T402 WeakPolarHBondContact O-CG2 3.47Å; A398-T402 PolarHBondContact O-N 3.21Å; A398-T402 PolarHBondContact O-OG1 3.21Å; A399-T402 PolarHBondContact O-N 2.66Å; T402-R404 VanDerWaalsContact C-N 3.26Å; T402-R404 PolarHBondContact O-N 3.37Å; T402-S405 VanDerWaalsContact O-CB 3.24Å; T402-S405 WeakPolarHBondContact O-CB 3.15Å; T402-S405 PolarHBondContact O-N 2.86Å; T402-S405 PolarHBondContact O-OG 3.31Å; T402-Y406 HydrophobicContact CG2-CE2 4.31Å; T402-Y406 WeakPolarHBondContact O-CD2 3.28Å; T402-L445 HydrophobicContact CG2-CD1 3.84Å; T402-L445 HydrophobicContact CG2-CD2 4.15Å
403L96.2Very high91.6Very high24 Ų2451.4 Ų51.413%0.12626%0.258CS..Hα-helixtrans-59.5-33.3177.9-82.3166.8000113.4A399 R400 L401 S405 Y406 K442 L445 L449A399-L403 PolarHBondContact O-N 2.93Å; R400-L403 PolarHBondContact O-N 3.01Å; L401-L403 PolarHBondContact O-N 3.32Å; L403-S405 PolarHBondContact O-N 3.48Å; L403-Y406 PolarHBondContact O-N 3.05Å; L403-K442 HydrophobicContact CD2-CB 4.35Å; L403-K442 HydrophobicContact CD2-CG 3.96Å; L403-L445 HydrophobicContact CD1-CB 4.08Å; L403-L445 HydrophobicContact CD2-CB 3.83Å; L403-L445 HydrophobicContact CD2-CD1 3.86Å; L403-L445 HydrophobicContact CG-CB 3.84Å; L403-L445 HydrophobicContact CG-CD1 4Å; L403-L449 HydrophobicContact CD1-CD1 3.45Å; L403-L449 VanDerWaalsContact CD1-CD1 3.45Å; L403-L449 HydrophobicContact CD1-CG 4.26Å
404R94.3Very high91.4Very high137 Ų13746.6 Ų46.652%0.51724%0.24SC..Hα-helixtrans-65.6-24.3176.1-70168.9170.7174.7-4.7113R400 L401 T402 Y406 G407R400-R404 WeakPolarHBondContact O-CG 3.25Å; R400-R404 PolarHBondContact O-N 2.83Å; L401-R404 WeakPolarHBondContact O-CB 3.41Å; L401-R404 PolarHBondContact O-N 3.29Å; L401-R404 VanDerWaalsContact O-N 3.16Å; T402-R404 VanDerWaalsContact C-N 3.26Å; T402-R404 PolarHBondContact O-N 3.37Å; R404-Y406 PolarHBondContact O-N 3.18Å; R404-G407 PolarHBondContact O-N 3.15Å; R404-G407 VanDerWaalsContact O-N 3.16Å
405S93.4Very high91.2Very high48 Ų4850.4 Ų50.434%0.33625%0.254SS..Hα-helixtrans-64.4-29.3179.377.40000112.6K140 G141 T402 L403 G407K140-S405 WeakPolarHBondContact CD-O 3.27Å; K140-S405 VanDerWaalsContact CE-O 3.24Å; K140-S405 WeakPolarHBondContact CE-O 3.36Å; K140-S405 WeakPolarHBondContact CG-O 3.44Å; G141-S405 WeakPolarHBondContact CA-OG 3.4Å; T402-S405 VanDerWaalsContact O-CB 3.24Å; T402-S405 WeakPolarHBondContact O-CB 3.15Å; T402-S405 PolarHBondContact O-N 2.86Å; T402-S405 PolarHBondContact O-OG 3.31Å; L403-S405 PolarHBondContact O-N 3.48Å; S405-G407 PolarHBondContact O-N 3.23Å; S405-G407 VanDerWaalsContact O-N 3.15Å
406Y93.2Very high90.8Very high13 Ų1356.4 Ų56.45%0.05128%0.28CS..THydrogen-bonded Turntrans-69.4-7.1176.9-64-98.3000113.4G141 T142 T402 L403 R404 R438 Q441 K442 L445G141-Y406 PolarHBondContact O-OH 3.41Å; T142-Y406 HydrophobicContact CG2-CE1 4.05Å; T402-Y406 HydrophobicContact CG2-CE2 4.31Å; T402-Y406 WeakPolarHBondContact O-CD2 3.28Å; L403-Y406 PolarHBondContact O-N 3.05Å; R404-Y406 PolarHBondContact O-N 3.18Å; Y406-R438 HydrophobicContact CD1-CG 4.39Å; Y406-Q441 HydrophobicContact CE1-CB 4.35Å; Y406-Q441 WeakPolarHBondContact OH-CB 3.49Å; Y406-Q441 PolarHBondContact OH-OE1 3.28Å; Y406-K442 HydrophobicContact CD1-CG 4.4Å; Y406-L445 HydrophobicContact CE2-CD1 3.78Å
407G86.5Confident90.4Very high26 Ų2657.4 Ų57.427%0.26829%0.287SS..  trans82.1-161.5-178.300000113.8R404 S405 A409R404-G407 PolarHBondContact O-N 3.15Å; R404-G407 VanDerWaalsContact O-N 3.16Å; S405-G407 PolarHBondContact O-N 3.23Å; S405-G407 VanDerWaalsContact O-N 3.15Å; G407-A409 PolarHBondContact O-N 2.61Å; G407-A409 VanDerWaalsContact O-N 3.12Å
408D74.3Confident90Very high171 Ų17157.8 Ų57.891%0.91429%0.289SS*.SBendtrans-73.2-0.3-173.2-55.8-31.6000114.2E410D408-E410 PolarHBondContact O-N 3.36Å
409A69.9Low89.5Confident41 Ų4164.5 Ų64.534%0.33932%0.32SS..  trans-77.5103.9-178.800000110.4G407 K442G407-A409 PolarHBondContact O-N 2.61Å; G407-A409 VanDerWaalsContact O-N 3.12Å; A409-K442 PolarHBondContact O-NZ 3.02Å
410E81.5Confident88.7Confident145 Ų14569.1 Ų69.168%0.67835%0.345SS*.  trans-69.3151.2176.2-63.3-178.3170.400111.8D408 E412 S413 D414D408-E410 PolarHBondContact O-N 3.36Å; E410-E412 PolarHBondContact O-N 2.65Å; E410-S413 PolarHBondContact N-OG 2.86Å; E410-S413 WeakPolarHBondContact O-CB 3.38Å; E410-S413 PolarHBondContact O-N 3.5Å; E410-S413 PolarHBondContact O-OG 2.91Å; E410-D414 PolarHBondContact O-N 2.79Å
411L89.6Confident87.3Confident20 Ų2065.2 Ų65.211%0.10533%0.332CS..Hα-helixtrans-53-37175.6172.162.3000112.2S413 D414 R415 F439 K442 V443 H446L411-S413 VanDerWaalsContact C-N 3.28Å; L411-S413 PolarHBondContact O-N 2.86Å; L411-D414 PolarHBondContact O-N 3.49Å; L411-R415 WeakPolarHBondContact O-CB 3.45Å; L411-R415 PolarHBondContact O-N 2.86Å; L411-F439 HydrophobicContact CD1-CD2 3.78Å; L411-F439 HydrophobicContact CD1-CE2 3.66Å; L411-K442 HydrophobicContact CD1-CB 3.81Å; L411-V443 HydrophobicContact CD1-CG2 3.86Å; L411-H446 HydrophobicContact CD2-CB 3.88Å; L411-H446 VanDerWaalsContact CD2-CD2 3.45Å; L411-H446 WeakPolarHBondContact CD2-CD2 3.41Å
412E88.8Confident85.6Confident116 Ų11668.8 Ų68.854%0.54236%0.363SS..Hα-helixtrans-65.6-31.4178.9-167.656.1-153.900112.7E410 R415 K416E410-E412 PolarHBondContact O-N 2.65Å; E412-R415 PolarHBondContact O-N 3.39Å; E412-R415 IonicContact OE2-NE 3.57Å; E412-K416 PolarHBondContact O-N 2.92Å
413S88.5Confident83.7Confident50 Ų5073.2 Ų73.235%0.3539%0.386SS..Hα-helixtrans-68.8-43.217574.10000111.7E410 L411 K416 L417E410-S413 PolarHBondContact N-OG 2.86Å; E410-S413 WeakPolarHBondContact O-CB 3.38Å; E410-S413 PolarHBondContact O-N 3.5Å; E410-S413 PolarHBondContact O-OG 2.91Å; L411-S413 VanDerWaalsContact C-N 3.28Å; L411-S413 PolarHBondContact O-N 2.86Å; S413-K416 PolarHBondContact O-N 2.82Å; S413-L417 WeakPolarHBondContact O-CG 3.28Å; S413-L417 PolarHBondContact O-N 3.01Å
414D91.4Very high82Confident3 Ų373.8 Ų73.82%0.01639%0.389CS..Hα-helixtrans-68.1-37.9175-76.6-38.2000110.8E410 L411 K416 L417 M418 L435 R438 F439 K442E410-D414 PolarHBondContact O-N 2.79Å; L411-D414 PolarHBondContact O-N 3.49Å; D414-K416 PolarHBondContact O-N 3.47Å; D414-L417 WeakPolarHBondContact O-CB 3.29Å; D414-L417 PolarHBondContact O-N 3.44Å; D414-L417 VanDerWaalsContact O-N 3.17Å; D414-M418 VanDerWaalsContact O-CG 3.28Å; D414-M418 WeakPolarHBondContact O-CG 3.19Å; D414-M418 PolarHBondContact O-N 3.43Å; D414-L435 HydrophobicContact CB-CD1 3.68Å; D414-L435 WeakPolarHBondContact OD1-CD1 3.31Å; D414-R438 IonicContact OD1-CZ 3.73Å; D414-R438 IonicContact OD1-NE 2.77Å; D414-R438 IonicContact OD1-NH2 2.75Å; D414-R438 PolarHBondContact OD1-NH2 3.13Å; D414-R438 VanDerWaalsContact OD1-NH2 3.16Å; D414-R438 IonicContact OD2-NE 3.27Å; D414-F439 HydrophobicContact CB-CD2 3.93Å; D414-K442 IonicContact OD2-NZ 3.56Å; D414-K442 PolarHBondContact OD2-NZ 3.32Å
415R91.9Very high80.4Confident85 Ų8573.5 Ų73.532%0.32139%0.392SS..Hα-helixtrans-55.9-49.1174.1-175178.9-61.7-72.6-3.3111.7L411 E412 L417 M418 E419 F439L411-R415 WeakPolarHBondContact O-CB 3.45Å; L411-R415 PolarHBondContact O-N 2.86Å; E412-R415 PolarHBondContact O-N 3.39Å; E412-R415 IonicContact OE2-NE 3.57Å; R415-L417 VanDerWaalsContact C-N 3.31Å; R415-L417 PolarHBondContact O-N 3.49Å; R415-M418 WeakPolarHBondContact O-CB 3.27Å; R415-M418 PolarHBondContact O-N 3.38Å; R415-M418 VanDerWaalsContact O-N 3.1Å; R415-E419 WeakPolarHBondContact O-CG 3.34Å; R415-E419 PolarHBondContact O-N 2.93Å; R415-F439 HydrophobicContact CB-CE2 3.8Å; R415-F439 HydrophobicContact CB-CZ 4.46Å; R415-F439 HydrophobicContact CG-CE2 4.34Å
416K89.7Confident78.5Confident129 Ų12974.6 Ų74.656%0.56141%0.41SS*.Hα-helixtrans-61.8-39.8177.9-168.7175.5-177.2175.60112.2E412 S413 D414 M418 E419 D420E412-K416 PolarHBondContact O-N 2.92Å; S413-K416 PolarHBondContact O-N 2.82Å; D414-K416 PolarHBondContact O-N 3.47Å; K416-M418 VanDerWaalsContact C-N 3.3Å; K416-M418 PolarHBondContact O-N 3.18Å; K416-E419 PolarHBondContact O-N 3.34Å; K416-D420 WeakPolarHBondContact O-CB 3.46Å; K416-D420 PolarHBondContact O-N 3.45Å
417L88.7Confident76.6Confident72 Ų7282.9 Ų82.938%0.37744%0.442SS..Hα-helixtrans-66.1-32.7175-67.3171.2000112.6S413 D414 R415 G421 L424 L435S413-L417 WeakPolarHBondContact O-CG 3.28Å; S413-L417 PolarHBondContact O-N 3.01Å; D414-L417 WeakPolarHBondContact O-CB 3.29Å; D414-L417 PolarHBondContact O-N 3.44Å; D414-L417 VanDerWaalsContact O-N 3.17Å; R415-L417 VanDerWaalsContact C-N 3.31Å; R415-L417 PolarHBondContact O-N 3.49Å; L417-G421 WeakPolarHBondContact O-CA 3.13Å; L417-G421 PolarHBondContact O-N 3.31Å; L417-L424 HydrophobicContact CB-CD1 4.03Å; L417-L424 HydrophobicContact CD2-CD1 4.11Å; L417-L424 WeakPolarHBondContact O-CD1 3.43Å; L417-L435 HydrophobicContact CB-CD1 4.21Å; L417-L435 HydrophobicContact CB-CD2 3.66Å; L417-L435 HydrophobicContact CD1-CD1 4.41Å
418M88.9Confident75.8Confident31 Ų3183.2 Ų83.215%0.15344%0.44CS..Hα-helixtrans-67.7-41.4174.5-70.7-72-74.700111.4D414 R415 K416 G421 W432 L435 Q436 F439D414-M418 VanDerWaalsContact O-CG 3.28Å; D414-M418 WeakPolarHBondContact O-CG 3.19Å; D414-M418 PolarHBondContact O-N 3.43Å; R415-M418 WeakPolarHBondContact O-CB 3.27Å; R415-M418 PolarHBondContact O-N 3.38Å; R415-M418 VanDerWaalsContact O-N 3.1Å; K416-M418 VanDerWaalsContact C-N 3.3Å; K416-M418 PolarHBondContact O-N 3.18Å; M418-G421 PolarHBondContact O-N 3.01Å; M418-W432 HydrophobicContact SD-CH2 3.95Å; M418-W432 HydrophobicContact SD-CZ3 4.08Å; M418-L435 HydrophobicContact CG-CD1 4.38Å; M418-L435 HydrophobicContact CG-CD2 3.96Å; M418-L435 HydrophobicContact CG-CG 4.04Å; M418-L435 HydrophobicContact SD-CD2 3.7Å; M418-L435 HydrophobicContact SD-CG 3.66Å; M418-Q436 PolarHBondContact SD-NE2 3.1Å; M418-F439 HydrophobicContact CE-CD1 3.83Å; M418-F439 HydrophobicContact CE-CE1 4.31Å; M418-F439 HydrophobicContact CE-CG 4.39Å; M418-F439 HydrophobicContact CG-CB 4.24Å; M418-F439 HydrophobicContact CG-CD1 4.04Å; M418-F439 HydrophobicContact CG-CD2 4.04Å; M418-F439 HydrophobicContact CG-CE1 4.42Å; M418-F439 HydrophobicContact CG-CE2 4.43Å; M418-F439 HydrophobicContact CG-CG 3.82Å; M418-F439 HydrophobicContact SD-CB 4.46Å; M418-F439 HydrophobicContact SD-CD1 4.49Å; M418-F439 HydrophobicContact SD-CG 4.48Å
419E86.5Confident76.3Confident143 Ų14378 Ų7867%0.66842%0.417SS*.Hα-helixtrans-66.2-41.4175.1-69.1173.8-176.300112.3R415 K416 G421R415-E419 WeakPolarHBondContact O-CG 3.34Å; R415-E419 PolarHBondContact O-N 2.93Å; K416-E419 PolarHBondContact O-N 3.34Å; E419-G421 PolarHBondContact O-N 3.25Å
420D80.8Confident77.4Confident96 Ų9678.7 Ų78.751%0.51341%0.411SS..THydrogen-bonded Turntrans-76.86.4176.5-68.5-24.5000113K416 A422 D423K416-D420 WeakPolarHBondContact O-CB 3.46Å; K416-D420 PolarHBondContact O-N 3.45Å; D420-A422 VanDerWaalsContact C-N 3.26Å; D420-A422 PolarHBondContact O-N 3.15Å; D420-D423 PolarHBondContact O-N 3.07Å
421G65.7Low77.9Confident4 Ų478.3 Ų78.34%0.04140%0.403CS..Hα-helixtrans-61.8-15.4-160.700000117.5L417 M418 E419 D423 L424 K425L417-G421 WeakPolarHBondContact O-CA 3.13Å; L417-G421 PolarHBondContact O-N 3.31Å; M418-G421 PolarHBondContact O-N 3.01Å; E419-G421 PolarHBondContact O-N 3.25Å; G421-D423 VanDerWaalsContact C-N 3.26Å; G421-D423 PolarHBondContact O-N 2.67Å; G421-L424 PolarHBondContact O-N 3.25Å; G421-K425 WeakPolarHBondContact O-CG 3.29Å; G421-K425 PolarHBondContact O-N 3.34Å
422A60.2Low78Confident87 Ų8779 Ų7972%0.71940%0.404SS*.Hα-helixtrans-59.8-36.9177.100000112.2D420D420-A422 VanDerWaalsContact C-N 3.26Å; D420-A422 PolarHBondContact O-N 3.15Å
423D58.2Low78.2Confident97 Ų9775.7 Ų75.752%0.51939%0.387SS..Hα-helixtrans-76.1-31.1177.9-99.617.1000112.3D420 G421 R427D420-D423 PolarHBondContact O-N 3.07Å; G421-D423 VanDerWaalsContact C-N 3.26Å; G421-D423 PolarHBondContact O-N 2.67Å; D423-R427 VanDerWaalsContact O-CB 3.3Å; D423-R427 WeakPolarHBondContact O-CB 3.25Å; D423-R427 VanDerWaalsContact O-CD 3.29Å; D423-R427 WeakPolarHBondContact O-CD 3.28Å; D423-R427 WeakPolarHBondContact O-CG 3.46Å; D423-R427 PolarHBondContact O-N 2.6Å; D423-R427 IonicContact OD2-CZ 3.15Å; D423-R427 IonicContact OD2-NE 3.88Å; D423-R427 IonicContact OD2-NH2 3.13Å; D423-R427 PolarHBondContact OD2-NH2 3.25Å
424L60Low78.6Confident36 Ų3673.3 Ų73.319%0.18837%0.37CS..Hα-helixtrans-75.6-40.3179.6-80.4158.1000112.5L417 G421 G426 R427 S428 W432 L435L417-L424 HydrophobicContact CB-CD1 4.03Å; L417-L424 HydrophobicContact CD2-CD1 4.11Å; L417-L424 WeakPolarHBondContact O-CD1 3.43Å; G421-L424 PolarHBondContact O-N 3.25Å; L424-G426 PolarHBondContact O-N 3.19Å; L424-R427 PolarHBondContact O-N 2.71Å; L424-R427 VanDerWaalsContact O-N 3.14Å; L424-S428 PolarHBondContact O-N 3.33Å; L424-W432 HydrophobicContact CB-CE3 3.96Å; L424-L435 HydrophobicContact CD1-CD2 4.19Å
425K60.5Low78.7Confident130 Ų13073.3 Ų73.357%0.56537%0.37SS*.Hα-helixtrans-55.5-36.2172.9-73.3-179.5-177.6-176.30112G421 W432G421-K425 WeakPolarHBondContact O-CG 3.29Å; G421-K425 PolarHBondContact O-N 3.34Å; K425-W432 HydrophobicContact CD-CZ2 4.27Å; K425-W432 VanDerWaalsContact CE-CE2 3.4Å; K425-W432 HydrophobicContact CG-CD2 3.79Å; K425-W432 HydrophobicContact CG-CE3 4.29Å; K425-W432 HydrophobicContact CG-CG 4.06Å; K425-W432 HydrophobicContact CG-CZ2 4.17Å
426G53.3Low78.9Confident71 Ų7169.4 Ų69.473%0.73236%0.355SS*.Hα-helixtrans-83.5-22.4177.800000115.6L424L424-G426 PolarHBondContact O-N 3.19Å
427R53.3Low79.3Confident187 Ų18763.2 Ų63.271%0.70633%0.329SS*.Hα-helixtrans-97.4-30.5-171.6-72.7172.1-169.9-152.49.6114.7D423 L424D423-R427 VanDerWaalsContact O-CB 3.3Å; D423-R427 WeakPolarHBondContact O-CB 3.25Å; D423-R427 VanDerWaalsContact O-CD 3.29Å; D423-R427 WeakPolarHBondContact O-CD 3.28Å; D423-R427 WeakPolarHBondContact O-CG 3.46Å; D423-R427 PolarHBondContact O-N 2.6Å; D423-R427 IonicContact OD2-CZ 3.15Å; D423-R427 IonicContact OD2-NE 3.88Å; D423-R427 IonicContact OD2-NH2 3.13Å; D423-R427 PolarHBondContact OD2-NH2 3.25Å; L424-R427 PolarHBondContact O-N 2.71Å; L424-R427 VanDerWaalsContact O-N 3.14Å
428S70.4Confident79.6Confident33 Ų3361.3 Ų61.323%0.23132%0.316CS..  trans-170.6114.7172.2172.30000111.7L424 R430 R431 W432L424-S428 PolarHBondContact O-N 3.33Å; S428-R430 VanDerWaalsContact C-N 3.3Å; S428-R430 PolarHBondContact O-N 2.87Å; S428-R431 PolarHBondContact O-N 3.21Å; S428-W432 PolarHBondContact O-N 3.48Å
429S83.8Confident80Confident61 Ų6160 Ų6043%0.42731%0.31SS..Hα-helixtrans-60.5-34.5179.155.30000113.4W432 R433S429-W432 PolarHBondContact O-N 3.38Å; S429-R433 WeakPolarHBondContact O-CB 3.5Å; S429-R433 WeakPolarHBondContact O-CG 3.47Å; S429-R433 PolarHBondContact O-N 2.83Å; S429-R433 PolarHBondContact O-NE 3.08Å; S429-R433 PolarHBondContact OG-NH2 3.24Å; S429-R433 VanDerWaalsContact OG-NH2 3.08Å
430R92.8Very high80.5Confident57 Ų5753.3 Ų53.322%0.21528%0.28CS..Hα-helixtrans-65-43.3176.6-66.9-176.5176.8-179.1-6.3112.7D125 W130 E134 S428 W432 R433 A434D125-R430 IonicContact OD1-CZ 2.82Å; D125-R430 IonicContact OD1-NE 2.75Å; D125-R430 PolarHBondContact OD1-NE 2.93Å; D125-R430 IonicContact OD1-NH2 2.95Å; D125-R430 PolarHBondContact OD1-NH2 2.96Å; D125-R430 WeakPolarHBondContact OD2-CG 3.46Å; D125-R430 IonicContact OD2-NE 2.68Å; W130-R430 HydrophobicContact CD2-CG 4.23Å; W130-R430 HydrophobicContact CH2-CB 3.77Å; W130-R430 HydrophobicContact CH2-CG 4.1Å; W130-R430 HydrophobicContact CZ2-CB 3.79Å; W130-R430 HydrophobicContact CZ2-CG 3.57Å; W130-R430 HydrophobicContact CZ3-CB 4.16Å; E134-R430 WeakPolarHBondContact OE2-CD 3.5Å; E134-R430 IonicContact OE2-CZ 3.16Å; E134-R430 IonicContact OE2-NH1 3.37Å; E134-R430 PolarHBondContact OE2-NH1 3.13Å; S428-R430 VanDerWaalsContact C-N 3.3Å; S428-R430 PolarHBondContact O-N 2.87Å; R430-W432 VanDerWaalsContact C-N 3.32Å; R430-W432 PolarHBondContact O-N 3.02Å; R430-R433 PolarHBondContact O-N 3.34Å; R430-A434 WeakPolarHBondContact O-CB 3.37Å; R430-A434 PolarHBondContact O-N 3.11Å
431R92.1Very high81.3Confident137 Ų13748.9 Ų48.952%0.51726%0.256SS..Hα-helixtrans-63.9-40176.8-69.6-175.9-177.3-179.11.7111.9L138 S428 L435L138-R431 HydrophobicContact CD1-CG 3.97Å; L138-R431 HydrophobicContact CD2-CG 4.14Å; S428-R431 PolarHBondContact O-N 3.21Å; R431-L435 WeakPolarHBondContact O-CB 3.2Å; R431-L435 PolarHBondContact O-N 3.03Å
432W91.9Very high82.9Confident33 Ų3348.8 Ų48.813%0.12525%0.254CS..Hα-helixtrans-64-50.3176.1-179.5-106.3000111.4M418 L424 K425 S428 S429 R430 A434 L435 Q436M418-W432 HydrophobicContact SD-CH2 3.95Å; M418-W432 HydrophobicContact SD-CZ3 4.08Å; L424-W432 HydrophobicContact CB-CE3 3.96Å; K425-W432 HydrophobicContact CD-CZ2 4.27Å; K425-W432 VanDerWaalsContact CE-CE2 3.4Å; K425-W432 HydrophobicContact CG-CD2 3.79Å; K425-W432 HydrophobicContact CG-CE3 4.29Å; K425-W432 HydrophobicContact CG-CG 4.06Å; K425-W432 HydrophobicContact CG-CZ2 4.17Å; S428-W432 PolarHBondContact O-N 3.48Å; S429-W432 PolarHBondContact O-N 3.38Å; R430-W432 VanDerWaalsContact C-N 3.32Å; R430-W432 PolarHBondContact O-N 3.02Å; W432-A434 PolarHBondContact O-N 3.35Å; W432-L435 HydrophobicContact CE3-CD2 4.15Å; W432-L435 HydrophobicContact CZ3-CD2 4.04Å; W432-L435 WeakPolarHBondContact O-CB 3.4Å; W432-L435 PolarHBondContact O-N 2.99Å; W432-L435 VanDerWaalsContact O-N 3.1Å; W432-Q436 WeakPolarHBondContact O-CG 3.11Å; W432-Q436 PolarHBondContact O-N 2.97Å
433R94.4Very high84.6Confident47 Ų4746.1 Ų46.118%0.17723%0.229CC..Hα-helixtrans-57.4-46.4176.1-74.3-178.2-94.1-153.8-4.4112D125 L270 G274 T276 S429 R430 L435 Q436 V437D125-R433 IonicContact OD2-CZ 3.7Å; D125-R433 VanDerWaalsContact OD2-CZ 3.24Å; D125-R433 IonicContact OD2-NE 2.66Å; D125-R433 IonicContact OD2-NH1 3.34Å; D125-R433 IonicContact OD2-NH2 3.16Å; D125-R433 PolarHBondContact OD2-NH2 3.46Å; L270-R433 HydrophobicContact CD1-CB 3.98Å; L270-R433 HydrophobicContact CD2-CB 4.49Å; G274-R433 WeakPolarHBondContact O-CD 3.45Å; G274-R433 PolarHBondContact O-NH1 3.13Å; T276-R433 HydrophobicContact CG2-CB 4.06Å; T276-R433 HydrophobicContact CG2-CG 4.32Å; S429-R433 WeakPolarHBondContact O-CB 3.5Å; S429-R433 WeakPolarHBondContact O-CG 3.47Å; S429-R433 PolarHBondContact O-N 2.83Å; S429-R433 PolarHBondContact O-NE 3.08Å; S429-R433 PolarHBondContact OG-NH2 3.24Å; S429-R433 VanDerWaalsContact OG-NH2 3.08Å; R430-R433 PolarHBondContact O-N 3.34Å; R433-L435 VanDerWaalsContact C-N 3.29Å; R433-L435 PolarHBondContact O-N 3.4Å; R433-Q436 WeakPolarHBondContact O-CB 3.49Å; R433-Q436 PolarHBondContact O-N 2.86Å; R433-Q436 VanDerWaalsContact O-N 3.17Å; R433-V437 PolarHBondContact O-N 2.99Å
434A95.6Very high86.6Confident0 Ų042.2 Ų42.20%021%0.208CC..Hα-helixtrans-63.4-34.2176.500000113.2L138 L139 R430 W432 R438L138-A434 HydrophobicContact CB-CB 3.77Å; L139-A434 HydrophobicContact CD2-CB 3.61Å; L139-A434 HydrophobicContact CG-CB 4.08Å; R430-A434 WeakPolarHBondContact O-CB 3.37Å; R430-A434 PolarHBondContact O-N 3.11Å; W432-A434 PolarHBondContact O-N 3.35Å; A434-R438 VanDerWaalsContact C-NH1 3.3Å; A434-R438 WeakPolarHBondContact O-CG 3.32Å; A434-R438 PolarHBondContact O-N 3.35Å; A434-R438 VanDerWaalsContact O-N 3.14Å; A434-R438 PolarHBondContact O-NH1 3.06Å
435L94.9Very high88.4Confident4 Ų440.5 Ų40.52%0.02120%0.199CC..Hα-helixtrans-66.6-41.1173.8177.865.4000111.7D414 L417 M418 L424 R431 W432 R433 V437 R438 F439D414-L435 HydrophobicContact CB-CD1 3.68Å; D414-L435 WeakPolarHBondContact OD1-CD1 3.31Å; L417-L435 HydrophobicContact CB-CD1 4.21Å; L417-L435 HydrophobicContact CB-CD2 3.66Å; L417-L435 HydrophobicContact CD1-CD1 4.41Å; M418-L435 HydrophobicContact CG-CD1 4.38Å; M418-L435 HydrophobicContact CG-CD2 3.96Å; M418-L435 HydrophobicContact CG-CG 4.04Å; M418-L435 HydrophobicContact SD-CD2 3.7Å; M418-L435 HydrophobicContact SD-CG 3.66Å; L424-L435 HydrophobicContact CD1-CD2 4.19Å; R431-L435 WeakPolarHBondContact O-CB 3.2Å; R431-L435 PolarHBondContact O-N 3.03Å; W432-L435 HydrophobicContact CE3-CD2 4.15Å; W432-L435 HydrophobicContact CZ3-CD2 4.04Å; W432-L435 WeakPolarHBondContact O-CB 3.4Å; W432-L435 PolarHBondContact O-N 2.99Å; W432-L435 VanDerWaalsContact O-N 3.1Å; R433-L435 VanDerWaalsContact C-N 3.29Å; R433-L435 PolarHBondContact O-N 3.4Å; L435-V437 PolarHBondContact O-N 2.84Å; L435-R438 PolarHBondContact O-N 2.88Å; L435-F439 WeakPolarHBondContact O-CB 3.2Å; L435-F439 PolarHBondContact O-N 2.78Å
436Q95.6Very high90.1Very high2 Ų237.5 Ų37.51%0.00919%0.187CC..Hα-helixtrans-56.1-50.7175.6-67.3-62.1-29.200111.3T276 M418 W432 R433 F439 G440T276-Q436 HydrophobicContact CG2-CB 4.28Å; M418-Q436 PolarHBondContact SD-NE2 3.1Å; W432-Q436 WeakPolarHBondContact O-CG 3.11Å; W432-Q436 PolarHBondContact O-N 2.97Å; R433-Q436 WeakPolarHBondContact O-CB 3.49Å; R433-Q436 PolarHBondContact O-N 2.86Å; R433-Q436 VanDerWaalsContact O-N 3.17Å; Q436-F439 PolarHBondContact O-N 3.45Å; Q436-G440 PolarHBondContact O-N 3.17Å
437V97.4Very high92.2Very high0 Ų039.6 Ų39.60%017%0.172CC..Hα-helixtrans-58.3-56.5178.7-179.50000111.5T142 N266 W267 L270 T276 R433 L435 F439 G440 Q441T142-V437 HydrophobicContact CG2-CG1 3.8Å; N266-V437 HydrophobicContact CB-CG2 4.14Å; W267-V437 HydrophobicContact CB-CG1 3.63Å; L270-V437 HydrophobicContact CB-CG2 4.11Å; L270-V437 HydrophobicContact CD2-CG2 3.71Å; T276-V437 HydrophobicContact CG2-CG2 3.75Å; R433-V437 PolarHBondContact O-N 2.99Å; L435-V437 PolarHBondContact O-N 2.84Å; V437-F439 VanDerWaalsContact C-N 3.29Å; V437-F439 PolarHBondContact O-N 3.02Å; V437-G440 PolarHBondContact O-N 2.87Å; V437-Q441 WeakPolarHBondContact O-CG 3.5Å; V437-Q441 PolarHBondContact O-N 3.25Å; V437-Q441 VanDerWaalsContact O-N 3.12Å
438R96.3Very high94.3Very high31 Ų3130.9 Ų30.912%0.11714%0.14CC..Hα-helixtrans-61.1-40-177.2-68.5-170.3-43.2-82.9-7.7112.1L138 T142 Y406 D414 A434 L435 K442L138-R438 WeakPolarHBondContact O-CD 3.35Å; L138-R438 PolarHBondContact O-NH1 3.35Å; T142-R438 HydrophobicContact CG2-CG 3.53Å; Y406-R438 HydrophobicContact CD1-CG 4.39Å; D414-R438 IonicContact OD1-CZ 3.73Å; D414-R438 IonicContact OD1-NE 2.77Å; D414-R438 IonicContact OD1-NH2 2.75Å; D414-R438 PolarHBondContact OD1-NH2 3.13Å; D414-R438 VanDerWaalsContact OD1-NH2 3.16Å; D414-R438 IonicContact OD2-NE 3.27Å; A434-R438 VanDerWaalsContact C-NH1 3.3Å; A434-R438 WeakPolarHBondContact O-CG 3.32Å; A434-R438 PolarHBondContact O-N 3.35Å; A434-R438 VanDerWaalsContact O-N 3.14Å; A434-R438 PolarHBondContact O-NH1 3.06Å; L435-R438 PolarHBondContact O-N 2.88Å; R438-K442 WeakPolarHBondContact O-CB 3.32Å; R438-K442 WeakPolarHBondContact O-CG 3.34Å; R438-K442 PolarHBondContact O-N 3.08Å
439F96.6Very high95.6Very high4 Ų430.5 Ų30.52%0.01814%0.135CC..Hα-helixtrans-68.2-48.1-177.5-177.2-102.8000111.3Y279 L411 D414 R415 M418 L435 Q436 V437 Q441 K442 V443Y279-F439 HydrophobicContact CD1-CD1 4.33Å; Y279-F439 AromaticContact CD1-CE1 3.7Å; Y279-F439 HydrophobicContact CD1-CE1 3.7Å; Y279-F439 HydrophobicContact CD2-CD1 4.17Å; Y279-F439 HydrophobicContact CD2-CE1 4.08Å; Y279-F439 AromaticContact CE1-CE1 3.85Å; Y279-F439 HydrophobicContact CE1-CE1 3.85Å; Y279-F439 HydrophobicContact CE2-CE1 4.23Å; Y279-F439 AromaticContact CG-CD1 4Å; Y279-F439 HydrophobicContact CG-CD1 4Å; Y279-F439 AromaticContact CG-CE1 3.82Å; Y279-F439 HydrophobicContact CG-CE1 3.82Å; L411-F439 HydrophobicContact CD1-CD2 3.78Å; L411-F439 HydrophobicContact CD1-CE2 3.66Å; D414-F439 HydrophobicContact CB-CD2 3.93Å; R415-F439 HydrophobicContact CB-CE2 3.8Å; R415-F439 HydrophobicContact CB-CZ 4.46Å; R415-F439 HydrophobicContact CG-CE2 4.34Å; M418-F439 HydrophobicContact CE-CD1 3.83Å; M418-F439 HydrophobicContact CE-CE1 4.31Å; M418-F439 HydrophobicContact CE-CG 4.39Å; M418-F439 HydrophobicContact CG-CB 4.24Å; M418-F439 HydrophobicContact CG-CD1 4.04Å; M418-F439 HydrophobicContact CG-CD2 4.04Å; M418-F439 HydrophobicContact CG-CE1 4.42Å; M418-F439 HydrophobicContact CG-CE2 4.43Å; M418-F439 HydrophobicContact CG-CG 3.82Å; M418-F439 HydrophobicContact SD-CB 4.46Å; M418-F439 HydrophobicContact SD-CD1 4.49Å; M418-F439 HydrophobicContact SD-CG 4.48Å; L435-F439 WeakPolarHBondContact O-CB 3.2Å; L435-F439 PolarHBondContact O-N 2.78Å; Q436-F439 PolarHBondContact O-N 3.45Å; V437-F439 VanDerWaalsContact C-N 3.29Å; V437-F439 PolarHBondContact O-N 3.02Å; F439-Q441 PolarHBondContact O-N 3.12Å; F439-K442 PolarHBondContact O-N 3.09Å; F439-V443 HydrophobicContact CD1-CG2 4.24Å; F439-V443 HydrophobicContact CD2-CG2 4.48Å; F439-V443 HydrophobicContact CE1-CG2 3.86Å; F439-V443 HydrophobicContact CE2-CG2 4.11Å; F439-V443 HydrophobicContact CZ-CG2 3.79Å; F439-V443 VanDerWaalsContact O-CG2 3.31Å; F439-V443 WeakPolarHBondContact O-CG2 3.45Å; F439-V443 PolarHBondContact O-N 3.11Å
440G97.3Very high96.2Very high3 Ų333 Ų333%0.03114%0.14CC..Hα-helixtrans-55.8-51.7176.600000112Q436 V437 K442 V443 I444Q436-G440 PolarHBondContact O-N 3.17Å; V437-G440 PolarHBondContact O-N 2.87Å; G440-K442 PolarHBondContact O-N 3.37Å; G440-V443 PolarHBondContact O-N 3.45Å; G440-I444 PolarHBondContact O-N 2.99Å
441Q98.1Very high96.5Very high2 Ų231.2 Ų31.21%0.00914%0.135CC..Hα-helixtrans-59.2-46.2178.1-73.9175.9-28.500112.9T142 T286 A287 Y406 V437 F439 V443 I444 L445T142-Q441 VanDerWaalsContact CA-OE1 3.25Å; T142-Q441 VanDerWaalsContact CB-OE1 3.28Å; T142-Q441 PolarHBondContact O-NE2 3.24Å; T286-Q441 VanDerWaalsContact O-CG 3.26Å; T286-Q441 WeakPolarHBondContact O-CG 3.49Å; A287-Q441 HydrophobicContact CB-CB 4.1Å; A287-Q441 HydrophobicContact CB-CG 4.24Å; Y406-Q441 HydrophobicContact CE1-CB 4.35Å; Y406-Q441 WeakPolarHBondContact OH-CB 3.49Å; Y406-Q441 PolarHBondContact OH-OE1 3.28Å; V437-Q441 WeakPolarHBondContact O-CG 3.5Å; V437-Q441 PolarHBondContact O-N 3.25Å; V437-Q441 VanDerWaalsContact O-N 3.12Å; F439-Q441 PolarHBondContact O-N 3.12Å; Q441-V443 VanDerWaalsContact C-N 3.33Å; Q441-V443 PolarHBondContact O-N 3.13Å; Q441-I444 PolarHBondContact O-N 3.22Å; Q441-L445 WeakPolarHBondContact O-CG 3.28Å; Q441-L445 PolarHBondContact O-N 3.5Å
442K97.6Very high96.7Very high3 Ų324.9 Ų24.91%0.01311%0.111CC..Hα-helixtrans-64.5-36.7178.6-74.7176.7-175.5178.70112.4L403 Y406 A409 L411 D414 R438 F439 G440 L445 H446L403-K442 HydrophobicContact CD2-CB 4.35Å; L403-K442 HydrophobicContact CD2-CG 3.96Å; Y406-K442 HydrophobicContact CD1-CG 4.4Å; A409-K442 PolarHBondContact O-NZ 3.02Å; L411-K442 HydrophobicContact CD1-CB 3.81Å; D414-K442 IonicContact OD2-NZ 3.56Å; D414-K442 PolarHBondContact OD2-NZ 3.32Å; R438-K442 WeakPolarHBondContact O-CB 3.32Å; R438-K442 WeakPolarHBondContact O-CG 3.34Å; R438-K442 PolarHBondContact O-N 3.08Å; F439-K442 PolarHBondContact O-N 3.09Å; G440-K442 PolarHBondContact O-N 3.37Å; K442-L445 PolarHBondContact O-N 2.78Å; K442-H446 WeakPolarHBondContact O-CB 3.44Å; K442-H446 PolarHBondContact O-CD2 3.04Å; K442-H446 PolarHBondContact O-N 2.87Å
443V97.6Very high96.6Very high31 Ų3127.5 Ų27.519%0.18814%0.135CC..Hα-helixtrans-60.7-46.9176.3167.50000110.4L411 F439 G440 Q441 H446 R447L411-V443 HydrophobicContact CD1-CG2 3.86Å; F439-V443 HydrophobicContact CD1-CG2 4.24Å; F439-V443 HydrophobicContact CD2-CG2 4.48Å; F439-V443 HydrophobicContact CE1-CG2 3.86Å; F439-V443 HydrophobicContact CE2-CG2 4.11Å; F439-V443 HydrophobicContact CZ-CG2 3.79Å; F439-V443 VanDerWaalsContact O-CG2 3.31Å; F439-V443 WeakPolarHBondContact O-CG2 3.45Å; F439-V443 PolarHBondContact O-N 3.11Å; G440-V443 PolarHBondContact O-N 3.45Å; Q441-V443 VanDerWaalsContact C-N 3.33Å; Q441-V443 PolarHBondContact O-N 3.13Å; V443-H446 PolarHBondContact O-N 3.05Å; V443-R447 WeakPolarHBondContact O-CB 3.44Å; V443-R447 PolarHBondContact O-N 3.12Å
444I98.3Very high95.3Very high14 Ų1430.6 Ų30.67%0.07216%0.164CC..Hα-helixtrans-61.3-49.5177.1-65.2168.1000110.7D285 A287 F330 G440 Q441 H446 R447 L448D285-I444 WeakPolarHBondContact O-CD1 3.48Å; A287-I444 HydrophobicContact CB-CB 3.97Å; A287-I444 HydrophobicContact CB-CG2 3.87Å; F330-I444 HydrophobicContact CB-CG2 3.89Å; G440-I444 PolarHBondContact O-N 2.99Å; Q441-I444 PolarHBondContact O-N 3.22Å; I444-H446 PolarHBondContact O-N 2.86Å; I444-R447 WeakPolarHBondContact O-CB 3.45Å; I444-R447 PolarHBondContact O-N 3.35Å; I444-L448 PolarHBondContact O-N 3.49Å
445L97.9Very high95.3Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-62.4-40.4179.9-69.3169.2000112.8A287 I289 A399 T402 L403 Y406 Q441 K442 L448 L449A287-L445 HydrophobicContact CB-CD1 4.33Å; A287-L445 HydrophobicContact CB-CD2 4.08Å; A287-L445 HydrophobicContact CB-CG 3.77Å; I289-L445 HydrophobicContact CD1-CD2 4.15Å; I289-L445 HydrophobicContact CG1-CD2 3.89Å; A399-L445 HydrophobicContact CB-CD2 4.45Å; T402-L445 HydrophobicContact CG2-CD1 3.84Å; T402-L445 HydrophobicContact CG2-CD2 4.15Å; L403-L445 HydrophobicContact CD1-CB 4.08Å; L403-L445 HydrophobicContact CD2-CB 3.83Å; L403-L445 HydrophobicContact CD2-CD1 3.86Å; L403-L445 HydrophobicContact CG-CB 3.84Å; L403-L445 HydrophobicContact CG-CD1 4Å; Y406-L445 HydrophobicContact CE2-CD1 3.78Å; Q441-L445 WeakPolarHBondContact O-CG 3.28Å; Q441-L445 PolarHBondContact O-N 3.5Å; K442-L445 PolarHBondContact O-N 2.78Å; L445-L448 WeakPolarHBondContact O-CB 3.47Å; L445-L448 PolarHBondContact O-N 2.98Å; L445-L449 WeakPolarHBondContact O-CG 3.4Å; L445-L449 PolarHBondContact O-N 2.98Å
446H97.3Very high95.3Very high67 Ų6733.6 Ų33.631%0.3118%0.18SC..Hα-helixtrans-66.3-39175.5-89.3-85.7000111.8L411 K442 V443 I444 L448 L449 E450L411-H446 HydrophobicContact CD2-CB 3.88Å; L411-H446 VanDerWaalsContact CD2-CD2 3.45Å; L411-H446 WeakPolarHBondContact CD2-CD2 3.41Å; K442-H446 WeakPolarHBondContact O-CB 3.44Å; K442-H446 PolarHBondContact O-CD2 3.04Å; K442-H446 PolarHBondContact O-N 2.87Å; V443-H446 PolarHBondContact O-N 3.05Å; I444-H446 PolarHBondContact O-N 2.86Å; H446-L448 VanDerWaalsContact C-N 3.31Å; H446-L448 PolarHBondContact O-N 3.13Å; H446-L449 WeakPolarHBondContact O-CB 3.27Å; H446-L449 PolarHBondContact O-N 3.12Å; H446-E450 WeakPolarHBondContact O-CG 3.37Å; H446-E450 PolarHBondContact O-N 3.44Å; H446-E450 VanDerWaalsContact O-N 3.11Å
447R97.3Very high95.3Very high115 Ų11535.4 Ų35.443%0.43419%0.189SC..Hα-helixtrans-61.4-42.6174-178.856.4177.1168.12.8111.4V443 I444 L449 E450 L451V443-R447 WeakPolarHBondContact O-CB 3.44Å; V443-R447 PolarHBondContact O-N 3.12Å; I444-R447 WeakPolarHBondContact O-CB 3.45Å; I444-R447 PolarHBondContact O-N 3.35Å; R447-L449 VanDerWaalsContact C-N 3.34Å; R447-L449 PolarHBondContact O-N 2.88Å; R447-E450 IonicContact CZ-OE2 3.93Å; R447-E450 IonicContact NH1-OE2 2.89Å; R447-E450 PolarHBondContact NH1-OE2 3.13Å; R447-E450 WeakPolarHBondContact O-CB 3.25Å; R447-E450 PolarHBondContact O-N 2.97Å; R447-L451 HydrophobicContact CG-CD1 4.2Å; R447-L451 WeakPolarHBondContact O-CG 3.48Å; R447-L451 PolarHBondContact O-N 3.21Å; R447-L451 VanDerWaalsContact O-N 3.09Å
448L97.7Very high95.1Very high4 Ų437.5 Ų37.52%0.02120%0.2CC..Hα-helixtrans-60.7-41.5175.2-17761000112.3I289 F330 L384 I395 A399 I444 L445 H446 E450 L451 T452I289-L448 HydrophobicContact CD1-CD2 3.49Å; I289-L448 VanDerWaalsContact CD1-CD2 3.49Å; F330-L448 HydrophobicContact CD1-CD1 4Å; F330-L448 HydrophobicContact CD1-CD2 3.86Å; F330-L448 HydrophobicContact CD2-CD2 4.16Å; F330-L448 HydrophobicContact CE1-CD1 3.66Å; F330-L448 HydrophobicContact CE1-CD2 3.76Å; F330-L448 HydrophobicContact CE1-CG 4.37Å; F330-L448 HydrophobicContact CE2-CD2 4.09Å; F330-L448 HydrophobicContact CG-CD2 4.04Å; F330-L448 HydrophobicContact CZ-CD1 4.37Å; F330-L448 HydrophobicContact CZ-CD2 3.87Å; L384-L448 HydrophobicContact CD1-CD1 3.69Å; L384-L448 HydrophobicContact CD2-CD1 4.35Å; I395-L448 HydrophobicContact CG2-CD1 3.81Å; I395-L448 HydrophobicContact CG2-CD2 3.9Å; I395-L448 HydrophobicContact CG2-CG 3.99Å; A399-L448 HydrophobicContact CB-CD2 3.92Å; A399-L448 HydrophobicContact CB-CG 4.38Å; I444-L448 PolarHBondContact O-N 3.49Å; L445-L448 WeakPolarHBondContact O-CB 3.47Å; L445-L448 PolarHBondContact O-N 2.98Å; H446-L448 VanDerWaalsContact C-N 3.31Å; H446-L448 PolarHBondContact O-N 3.13Å; L448-E450 VanDerWaalsContact C-N 3.32Å; L448-E450 PolarHBondContact O-N 2.94Å; L448-L451 PolarHBondContact O-N 3.26Å; L448-T452 HydrophobicContact CD1-CG2 4.04Å; L448-T452 WeakPolarHBondContact O-CB 3.25Å; L448-T452 WeakPolarHBondContact O-CG2 3.4Å; L448-T452 PolarHBondContact O-N 3.03Å; L448-T452 PolarHBondContact O-OG1 3.39Å
449L97.5Very high95.1Very high26 Ų2637.9 Ų37.914%0.13621%0.206CC..Hα-helixtrans-59.9-39.9174.2-71.4-178.9000112.5H396 A399 R400 L403 L445 H446 R447 T452 S453H396-L449 PolarHBondContact CE1-O 3.01Å; H396-L449 PolarHBondContact ND1-O 3.17Å; H396-L449 VanDerWaalsContact ND1-O 3.16Å; H396-L449 WeakPolarHBondContact O-CD2 3.48Å; A399-L449 HydrophobicContact CB-CD2 3.87Å; A399-L449 HydrophobicContact CB-CG 4.36Å; R400-L449 HydrophobicContact CB-CD2 4.15Å; L403-L449 HydrophobicContact CD1-CD1 3.45Å; L403-L449 VanDerWaalsContact CD1-CD1 3.45Å; L403-L449 HydrophobicContact CD1-CG 4.26Å; L445-L449 WeakPolarHBondContact O-CG 3.4Å; L445-L449 PolarHBondContact O-N 2.98Å; H446-L449 WeakPolarHBondContact O-CB 3.27Å; H446-L449 PolarHBondContact O-N 3.12Å; R447-L449 VanDerWaalsContact C-N 3.34Å; R447-L449 PolarHBondContact O-N 2.88Å; L449-T452 PolarHBondContact O-OG1 3.06Å; L449-S453 WeakPolarHBondContact O-CB 3.36Å; L449-S453 PolarHBondContact O-N 3.17Å
450E97.3Very high95Very high114 Ų11440.1 Ų40.153%0.53322%0.218SC..Hα-helixtrans-62.3-48.5176.3-67.9172177.700111.3H446 R447 L448 T452 S453H446-E450 WeakPolarHBondContact O-CG 3.37Å; H446-E450 PolarHBondContact O-N 3.44Å; H446-E450 VanDerWaalsContact O-N 3.11Å; R447-E450 IonicContact CZ-OE2 3.93Å; R447-E450 IonicContact NH1-OE2 2.89Å; R447-E450 PolarHBondContact NH1-OE2 3.13Å; R447-E450 WeakPolarHBondContact O-CB 3.25Å; R447-E450 PolarHBondContact O-N 2.97Å; L448-E450 VanDerWaalsContact C-N 3.32Å; L448-E450 PolarHBondContact O-N 2.94Å; E450-T452 PolarHBondContact O-N 3.13Å; E450-S453 WeakPolarHBondContact O-CB 3.34Å; E450-S453 PolarHBondContact O-N 3.3Å; E450-S453 PolarHBondContact O-OG 3.26Å
451L97.5Very high94.8Very high18 Ų1842.8 Ų42.89%0.09423%0.231CC..Hα-helixtrans-65.3-28.6-177.5-65.9172.6000112.8N381 L384 P385 R447 L448N381-L451 HydrophobicContact CB-CD1 3.99Å; N381-L451 VanDerWaalsContact OD1-CD1 3.25Å; N381-L451 WeakPolarHBondContact OD1-CD1 3.43Å; L384-L451 HydrophobicContact CB-CB 4.29Å; L384-L451 HydrophobicContact CD1-CD1 4.08Å; P385-L451 HydrophobicContact CG-CB 4.41Å; P385-L451 HydrophobicContact CG-CD2 3.93Å; R447-L451 HydrophobicContact CG-CD1 4.2Å; R447-L451 WeakPolarHBondContact O-CG 3.48Å; R447-L451 PolarHBondContact O-N 3.21Å; R447-L451 VanDerWaalsContact O-N 3.09Å; L448-L451 PolarHBondContact O-N 3.26Å
452T96.7Very high94.5Very high4 Ų445.9 Ų45.93%0.02525%0.249CC..THydrogen-bonded Turntrans-101.78.5-176.456.50000114.1I395 H396 L448 L449 E450 S454I395-T452 HydrophobicContact CB-CG2 4.2Å; I395-T452 HydrophobicContact CG2-CG2 3.91Å; H396-T452 WeakPolarHBondContact CB-OG1 3.44Å; H396-T452 PolarHBondContact ND1-OG1 3.47Å; L448-T452 HydrophobicContact CD1-CG2 4.04Å; L448-T452 WeakPolarHBondContact O-CB 3.25Å; L448-T452 WeakPolarHBondContact O-CG2 3.4Å; L448-T452 PolarHBondContact O-N 3.03Å; L448-T452 PolarHBondContact O-OG1 3.39Å; L449-T452 PolarHBondContact O-OG1 3.06Å; E450-T452 PolarHBondContact O-N 3.13Å; T452-S454 PolarHBondContact O-N 3.46Å; T452-S454 VanDerWaalsContact O-N 3.1Å
453S90.2Very high94.3Very high89 Ų8949.5 Ų49.562%0.62227%0.268SS*.  trans-73.14.1-172.560.60000116.3L449 E450L449-S453 WeakPolarHBondContact O-CB 3.36Å; L449-S453 PolarHBondContact O-N 3.17Å; E450-S453 WeakPolarHBondContact O-CB 3.34Å; E450-S453 PolarHBondContact O-N 3.3Å; E450-S453 PolarHBondContact O-OG 3.26Å
454S66.3Low94Very high112 Ų11251.2 Ų51.278%0.78328%0.275SS*.  trans-113.50-169.151.40000115.5K392 T452K392-S454 WeakPolarHBondContact CE-O 3.42Å; K392-S454 PolarHBondContact NZ-O 3.18Å; K392-S454 PolarHBondContact NZ-OG 2.82Å; T452-S454 PolarHBondContact O-N 3.46Å; T452-S454 VanDerWaalsContact O-N 3.1Å

Retrieved 454 of 454 residues in 410.6 ms (Link to these results)

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