A0A096MPL8_PAPAN Loading...

Betaine--homocysteine S-methyltransferase

Involved in the regulation of homocysteine metabolism.

AlphaFold DB , UniProt , Accession A0A096MPL8, Species PAPAN (Papio anubis, Olive baboon), Gene BHMT, Length 363 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
1M36Very low49.4Very low244 Ų244121 Ų121100%1.20276%0.755SS**  0111.10-73.4177.1-142.900107.1
2A26.7Very low53.4Low96 Ų96113 Ų11379%0.79371%0.714SS**  trans-67.5140.1170.800000108.4A4A2-A4 PolarHBondContact O-N 3.06Å
3P35.6Very low56.9Low123 Ų123104.5 Ų104.580%0.79966%0.66SS**  trans-66.9130.1-177.525.5-28.1000109.2G5P3-G5 PolarHBondContact O-N 3.37Å
4A39.2Very low59.9Low103 Ų10399.9 Ų99.985%0.85163%0.628SS**  trans-57.6112171.900000108.5A2A2-A4 PolarHBondContact O-N 3.06Å
5G33.8Very low62.4Low67 Ų67100.7 Ų100.769%0.69162%0.621SS**PPolyproline II helixtrans-57.8142.5174.100000109.9P3P3-G5 PolarHBondContact O-N 3.37Å
6R35.3Very low64.7Low237 Ų23794.9 Ų94.989%0.89458%0.584SS**PPolyproline II helixtrans-47.7138165.4-69.4176.5176.8175.2-1.8108.3G8R6-G8 PolarHBondContact O-N 2.98Å
7P43.5Very low66.7Low127 Ų12789.7 Ų89.783%0.82555%0.551SS**PPolyproline II helixtrans-57.8116.7174-8.619.5000107.1
8G52Low68.4Low66 Ų6692.3 Ų92.368%0.6856%0.556SS**PPolyproline II helixtrans-56.5149.4167.600000108.7R6 K10R6-G8 PolarHBondContact O-N 2.98Å; G8-K10 PolarHBondContact O-N 3.35Å
9A65.9Low70Confident104 Ų10491 Ų9186%0.8655%0.552SS**PPolyproline II helixtrans-51.6129.7171.500000108.9K11A9-K11 PolarHBondContact O-N 3.22Å
10K81.3Confident71.3Confident80 Ų8088.8 Ų88.835%0.34855%0.548SS..PPolyproline II helixtrans-64.5126.2-178.1-171.4174.6-169.6160.20108.9G8 G12 A102 G105 A107 L108G8-K10 PolarHBondContact O-N 3.35Å; K10-G12 PolarHBondContact O-N 3.41Å; K10-A102 PolarHBondContact NZ-O 2.89Å; K10-G105 PolarHBondContact NZ-O 3.2Å; K10-A107 VanDerWaalsContact CE-C 3.45Å; K10-A107 WeakPolarHBondContact CE-O 3.26Å; K10-A107 PolarHBondContact NZ-O 3.22Å; K10-L108 HydrophobicContact CD-CD2 4.27Å; K10-L108 HydrophobicContact CG-CD2 4.38Å
11K94.1Very high72.6Confident84 Ų8487.4 Ų87.437%0.36554%0.536SS..PPolyproline II helixtrans-60.2131.4178.2-67.3-175.6-179.2-1790110.8A9 E15 R16 S19 E21A9-K11 PolarHBondContact O-N 3.22Å; K11-E15 VanDerWaalsContact CA-OE2 3.29Å; K11-E15 WeakPolarHBondContact CA-OE2 3.29Å; K11-E15 HydrophobicContact CB-CB 4.18Å; K11-R16 HydrophobicContact CB-CG 3.72Å; K11-R16 HydrophobicContact CD-CG 4.32Å; K11-R16 PolarHBondContact O-NE 2.71Å; K11-S19 PolarHBondContact NZ-OG 3.29Å; K11-E21 WeakPolarHBondContact CD-OE1 3.27Å; K11-E21 IonicContact NZ-OE1 2.66Å; K11-E21 PolarHBondContact NZ-OE1 2.81Å
12G97.6Very high75.5Confident25 Ų2576.3 Ų76.326%0.25848%0.481SS..PPolyproline II helixtrans-68171.7169.600000112.2K10 L14 E15 R16K10-G12 PolarHBondContact O-N 3.41Å; G12-L14 PolarHBondContact O-N 2.96Å; G12-E15 PolarHBondContact N-OE2 3.3Å; G12-E15 PolarHBondContact O-N 2.84Å; G12-R16 WeakPolarHBondContact O-CG 3.38Å; G12-R16 PolarHBondContact O-N 3.42Å; G12-R16 VanDerWaalsContact O-N 3.13Å
13I98.7Very high79Confident2 Ų271.8 Ų71.81%0.0144%0.444CS..Hα-helixtrans-63.1-44.5-170.9-176.263.4000112.8R16 L17 V23 L108 F146 P171 I203 Y286I13-R16 PolarHBondContact O-N 3.05Å; I13-L17 HydrophobicContact CD1-CD1 4.17Å; I13-L17 HydrophobicContact CD1-CG 4.46Å; I13-L17 HydrophobicContact CG1-CD1 4.04Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 2.82Å; I13-V23 HydrophobicContact CD1-CB 4.38Å; I13-V23 HydrophobicContact CD1-CG1 3.88Å; I13-V23 HydrophobicContact CD1-CG2 3.87Å; I13-L108 HydrophobicContact CB-CD1 3.82Å; I13-L108 HydrophobicContact CD1-CD1 4.46Å; I13-F146 HydrophobicContact CB-CB 4.44Å; I13-F146 HydrophobicContact CB-CD1 4.05Å; I13-F146 HydrophobicContact CB-CE1 4.41Å; I13-F146 HydrophobicContact CB-CG 4.12Å; I13-F146 HydrophobicContact CD1-CE1 4.44Å; I13-F146 HydrophobicContact CD1-CZ 4.33Å; I13-F146 HydrophobicContact CG1-CD1 4.44Å; I13-F146 HydrophobicContact CG1-CD2 4.37Å; I13-F146 HydrophobicContact CG1-CE1 4.43Å; I13-F146 HydrophobicContact CG1-CE2 4.36Å; I13-F146 HydrophobicContact CG1-CG 4.4Å; I13-F146 HydrophobicContact CG1-CZ 4.38Å; I13-F146 HydrophobicContact CG2-CB 3.62Å; I13-F146 HydrophobicContact CG2-CD1 4.15Å; I13-F146 HydrophobicContact CG2-CD2 4.26Å; I13-F146 HydrophobicContact CG2-CG 3.78Å; I13-P171 HydrophobicContact CG2-CB 3.57Å; I13-P171 HydrophobicContact CG2-CG 3.7Å; I13-I203 HydrophobicContact CD1-CD1 4.46Å; I13-I203 HydrophobicContact CG1-CD1 3.62Å; I13-Y286 HydrophobicContact CD1-CD2 4.36Å
14L98.5Very high82Confident40 Ų4065.9 Ų65.921%0.20941%0.406CS..Hα-helixtrans-69.5-40.8179.4-61.5-176.6000111.4G12 R16 L17 E18 P171 I203G12-L14 PolarHBondContact O-N 2.96Å; L14-R16 VanDerWaalsContact C-N 3.25Å; L14-R16 PolarHBondContact O-N 3.11Å; L14-L17 PolarHBondContact O-N 3.33Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L14-E18 VanDerWaalsContact O-CB 3.26Å; L14-E18 WeakPolarHBondContact O-CB 3.3Å; L14-E18 VanDerWaalsContact O-CG 3.23Å; L14-E18 WeakPolarHBondContact O-CG 3.38Å; L14-E18 PolarHBondContact O-N 3.11Å; L14-P171 HydrophobicContact CD1-CB 4Å; L14-P171 HydrophobicContact CD1-CG 3.91Å; L14-P171 HydrophobicContact CD2-CB 4.27Å; L14-P171 HydrophobicContact CG-CB 3.87Å; L14-P171 HydrophobicContact CG-CG 3.88Å; L14-I203 HydrophobicContact CD2-CD1 4.44Å; L14-I203 HydrophobicContact CD2-CG1 4.37Å
15E98.4Very high84.8Confident113 Ų11361 Ų6153%0.52837%0.365SS..Hα-helixtrans-57.9-38.9177.2-62.1177.9133.600112K11 G12 S19K11-E15 VanDerWaalsContact CA-OE2 3.29Å; K11-E15 WeakPolarHBondContact CA-OE2 3.29Å; K11-E15 HydrophobicContact CB-CB 4.18Å; G12-E15 PolarHBondContact N-OE2 3.3Å; G12-E15 PolarHBondContact O-N 2.84Å; E15-S19 VanDerWaalsContact O-CB 3.3Å; E15-S19 WeakPolarHBondContact O-CB 3.32Å; E15-S19 PolarHBondContact O-N 3.44Å; E15-S19 PolarHBondContact O-OG 2.74Å; E15-S19 VanDerWaalsContact O-OG 3.05Å
16R98.6Very high87.9Confident8 Ų858 Ų583%0.0333%0.333CS..Hα-helixtrans-63.4-55.4174.3-68.4178.6-177.1-99.32.7110.9K11 G12 I13 L14 E18 S19 G20 E21 V23 D106K11-R16 HydrophobicContact CB-CG 3.72Å; K11-R16 HydrophobicContact CD-CG 4.32Å; K11-R16 PolarHBondContact O-NE 2.71Å; G12-R16 WeakPolarHBondContact O-CG 3.38Å; G12-R16 PolarHBondContact O-N 3.42Å; G12-R16 VanDerWaalsContact O-N 3.13Å; I13-R16 PolarHBondContact O-N 3.05Å; L14-R16 VanDerWaalsContact C-N 3.25Å; L14-R16 PolarHBondContact O-N 3.11Å; R16-E18 PolarHBondContact O-N 2.98Å; R16-S19 PolarHBondContact O-N 3.45Å; R16-S19 PolarHBondContact O-OG 2.76Å; R16-G20 PolarHBondContact O-N 3.42Å; R16-E21 HydrophobicContact CB-CB 4.21Å; R16-E21 WeakPolarHBondContact CG-OE2 3.29Å; R16-E21 IonicContact NH1-OE2 2.82Å; R16-E21 WeakPolarHBondContact O-CB 3.41Å; R16-E21 PolarHBondContact O-N 3.47Å; R16-V23 HydrophobicContact CB-CG2 4.05Å; R16-D106 IonicContact CZ-OD1 3.27Å; R16-D106 IonicContact CZ-OD2 3.94Å; R16-D106 IonicContact NH1-OD1 2.68Å; R16-D106 IonicContact NH1-OD2 3.87Å; R16-D106 PolarHBondContact NH1-OD2 3.23Å; R16-D106 VanDerWaalsContact NH2-CG 3.31Å; R16-D106 IonicContact NH2-OD1 2.96Å; R16-D106 PolarHBondContact NH2-OD1 3.43Å; R16-D106 IonicContact NH2-OD2 3.59Å; R16-D106 PolarHBondContact NH2-OD2 3.11Å
17L98.5Very high90.9Very high6 Ų647 Ų473%0.03129%0.294CS..Hα-helixtrans-65-40-174.8-65.6170.6000112.7I13 L14 S19 G20 V23 I203 H234 R285I13-L17 HydrophobicContact CD1-CD1 4.17Å; I13-L17 HydrophobicContact CD1-CG 4.46Å; I13-L17 HydrophobicContact CG1-CD1 4.04Å; I13-L17 WeakPolarHBondContact O-CG 3.39Å; I13-L17 PolarHBondContact O-N 2.82Å; L14-L17 PolarHBondContact O-N 3.33Å; L14-L17 VanDerWaalsContact O-N 3.16Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 2.71Å; L17-G20 PolarHBondContact O-N 3.44Å; L17-G20 VanDerWaalsContact O-N 3.09Å; L17-V23 HydrophobicContact CD2-CB 4.28Å; L17-V23 HydrophobicContact CD2-CG2 3.68Å; L17-V23 HydrophobicContact CG-CG2 4.06Å; L17-I203 HydrophobicContact CD1-CD1 3.5Å; L17-I203 HydrophobicContact CD1-CG1 3.82Å; L17-H234 HydrophobicContact CD1-CB 3.92Å; L17-R285 HydrophobicContact CD2-CB 3.74Å
18E97.9Very high93.5Very high137 Ų13741.2 Ų41.264%0.6426%0.257SS*.Hα-helixtrans-66.6-33176.1-71.2172.217800112.2L14 R16 G20L14-E18 VanDerWaalsContact O-CB 3.26Å; L14-E18 WeakPolarHBondContact O-CB 3.3Å; L14-E18 VanDerWaalsContact O-CG 3.23Å; L14-E18 WeakPolarHBondContact O-CG 3.38Å; L14-E18 PolarHBondContact O-N 3.11Å; R16-E18 PolarHBondContact O-N 2.98Å; E18-G20 PolarHBondContact O-N 2.66Å
19S97.5Very high95.7Very high67 Ų6739 Ų3947%0.46923%0.228SC..THydrogen-bonded Turntrans-76.10.7173.272.60000113.9K11 E15 R16 L17 E21K11-S19 PolarHBondContact NZ-OG 3.29Å; E15-S19 VanDerWaalsContact O-CB 3.3Å; E15-S19 WeakPolarHBondContact O-CB 3.32Å; E15-S19 PolarHBondContact O-N 3.44Å; E15-S19 PolarHBondContact O-OG 2.74Å; E15-S19 VanDerWaalsContact O-OG 3.05Å; R16-S19 PolarHBondContact O-N 3.45Å; R16-S19 PolarHBondContact O-OG 2.76Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 2.71Å; S19-E21 PolarHBondContact OG-OE1 2.66Å
20G96.3Very high97.1Very high47 Ų4735 Ų3549%0.48519%0.192SC..THydrogen-bonded Turntrans82.58.2179.100000114.5R16 L17 E18R16-G20 PolarHBondContact O-N 3.42Å; L17-G20 PolarHBondContact O-N 3.44Å; L17-G20 VanDerWaalsContact O-N 3.09Å; E18-G20 PolarHBondContact O-N 2.66Å
21E98.3Very high97.9Very high60 Ų6031.7 Ų31.728%0.2818%0.178SC..PPolyproline II helixtrans-64.2151.9175.7-68.1177.3-154.500111.4K11 R16 S19K11-E21 WeakPolarHBondContact CD-OE1 3.27Å; K11-E21 IonicContact NZ-OE1 2.66Å; K11-E21 PolarHBondContact NZ-OE1 2.81Å; R16-E21 HydrophobicContact CB-CB 4.21Å; R16-E21 WeakPolarHBondContact CG-OE2 3.29Å; R16-E21 IonicContact NH1-OE2 2.82Å; R16-E21 WeakPolarHBondContact O-CB 3.41Å; R16-E21 PolarHBondContact O-N 3.47Å; S19-E21 PolarHBondContact OG-OE1 2.66Å
22V98.7Very high98.1Very high10 Ų1027.7 Ų27.76%0.06116%0.161CC..PPolyproline II helixtrans-94.6117.7168.1-177.40000108.9I24 Y280 I287 L305 R309V22-I24 HydrophobicContact CG1-CD1 4.05Å; V22-Y280 HydrophobicContact CG2-CD2 3.74Å; V22-Y280 HydrophobicContact CG2-CE2 3.61Å; V22-I287 HydrophobicContact CG1-CD1 4.17Å; V22-L305 HydrophobicContact CG1-CD1 3.85Å; V22-R309 HydrophobicContact CB-CG 4.14Å
23V98.9Very high98.1Very high1 Ų126.5 Ų26.51%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-87.5120.3172.8179.50000108.3I13 R16 L17 N69 V70 R285 Y286 I287I13-V23 HydrophobicContact CD1-CB 4.38Å; I13-V23 HydrophobicContact CD1-CG1 3.88Å; I13-V23 HydrophobicContact CD1-CG2 3.87Å; R16-V23 HydrophobicContact CB-CG2 4.05Å; L17-V23 HydrophobicContact CD2-CB 4.28Å; L17-V23 HydrophobicContact CD2-CG2 3.68Å; L17-V23 HydrophobicContact CG-CG2 4.06Å; V23-N69 HydrophobicContact CG1-CB 4.05Å; V23-V70 HydrophobicContact CG1-CG2 3.76Å; V23-R285 PolarHBondContact N-O 3.44Å; V23-Y286 HydrophobicContact CB-CD2 4.39Å; V23-Y286 HydrophobicContact CG1-CD2 3.94Å; V23-Y286 HydrophobicContact CG1-CE2 4.13Å; V23-Y286 HydrophobicContact CG1-CG 4.37Å; V23-Y286 WeakPolarHBondContact O-CA 3.38Å; V23-I287 PolarHBondContact O-N 3.35Å
24I98.9Very high98.1Very high0 Ų028.9 Ų28.90%016%0.16CC..EExtended strand (participates in β ladder)trans-90.2122174.8-55.9-66.5000108.5V22 G67 S68 N69 I287 I298 I301 R309V22-I24 HydrophobicContact CG1-CD1 4.05Å; I24-G67 WeakPolarHBondContact CB-O 3.03Å; I24-S68 PolarHBondContact O-OG 3.44Å; I24-N69 PolarHBondContact N-OD1 3.42Å; I24-N69 VanDerWaalsContact N-OD1 3.12Å; I24-N69 PolarHBondContact O-N 2.96Å; I24-I287 WeakPolarHBondContact CA-O 3.28Å; I24-I298 HydrophobicContact CG2-CG2 3.72Å; I24-I301 HydrophobicContact CD1-CB 4.28Å; I24-I301 HydrophobicContact CD1-CG2 3.5Å; I24-I301 VanDerWaalsContact CD1-CG2 3.5Å; I24-R309 VanDerWaalsContact CG1-CZ 3.42Å
25G98.8Very high98.1Very high0 Ų031.8 Ų31.80%017%0.171CC..PPolyproline II helixtrans-73.3167.7171.800000112.1S68 I287G25-S68 VanDerWaalsContact C-OG 3.3Å; G25-S68 PolarHBondContact O-OG 2.87Å; G25-I287 PolarHBondContact N-O 2.74Å
26D98.4Very high98.1Very high3 Ų330.5 Ų30.52%0.01616%0.161CC..  trans-81.1-168.4165.957.66.6000111.1F63 S68 V70 Q72 G289 I298D26-F63 HydrophobicContact CB-CB 4.04Å; D26-F63 HydrophobicContact CB-CD2 4.15Å; D26-F63 HydrophobicContact CB-CG 4.03Å; D26-S68 PolarHBondContact N-OG 3.45Å; D26-V70 WeakPolarHBondContact CB-O 3.39Å; D26-Q72 PolarHBondContact OD2-N 2.72Å; D26-G289 PolarHBondContact O-N 3.14Å; D26-G289 VanDerWaalsContact O-N 3.11Å; D26-G289 VanDerWaalsContact O-O 3.11Å; D26-I298 VanDerWaalsContact O-CD1 3.29Å; D26-I298 WeakPolarHBondContact O-CD1 3.23Å
27G98.2Very high98.1Very high8 Ų833.1 Ų33.18%0.08219%0.19CC..  trans-123.4-149.8-173.900000113.2F29G27-F29 PolarHBondContact O-N 3.04Å
28S97.4Very high98.1Very high4 Ų437.1 Ų37.13%0.02821%0.206CC..  trans-75.5120.6-174.9-164.40000112I31 T32 C290 C291 F293S28-I31 WeakPolarHBondContact OG-CB 3.47Å; S28-I31 PolarHBondContact OG-N 3.37Å; S28-T32 WeakPolarHBondContact O-CB 3.4Å; S28-T32 PolarHBondContact O-OG1 2.89Å; S28-T32 VanDerWaalsContact O-OG1 3.08Å; S28-C290 WeakPolarHBondContact CB-O 3.37Å; S28-C290 PolarHBondContact N-O 3.44Å; S28-C291 WeakPolarHBondContact OG-CA 3.23Å; S28-F293 PolarHBondContact N-O 3.29Å
29F98.1Very high98.1Very high19 Ų1931 Ų318%0.08318%0.178CC..SBendtrans-86.8-55.3165.9-89.4-101.7000111.7G27 T32 L33 V56 L59 H60 F63 F74G27-F29 PolarHBondContact O-N 3.04Å; F29-T32 PolarHBondContact O-N 2.77Å; F29-L33 HydrophobicContact CD1-CD1 4.13Å; F29-L33 VanDerWaalsContact O-CB 3.25Å; F29-L33 WeakPolarHBondContact O-CB 3.15Å; F29-L33 WeakPolarHBondContact O-CG 3.19Å; F29-L33 PolarHBondContact O-N 3.45Å; F29-V56 HydrophobicContact CE1-CG1 4.19Å; F29-L59 HydrophobicContact CD1-CD2 3.82Å; F29-L59 HydrophobicContact CD1-CG 4.35Å; F29-L59 HydrophobicContact CE1-CB 4.13Å; F29-L59 HydrophobicContact CE1-CD2 3.95Å; F29-L59 HydrophobicContact CE1-CG 3.96Å; F29-L59 HydrophobicContact CG-CD2 4.12Å; F29-L59 HydrophobicContact CZ-CB 4.43Å; F29-L59 HydrophobicContact CZ-CD2 4.34Å; F29-L59 HydrophobicContact CZ-CG 4.02Å; F29-H60 AromaticContact CE1-CD2 3.75Å; F29-H60 AromaticContact CE1-CE1 3.59Å; F29-H60 AromaticContact CE1-CG 3.93Å; F29-H60 AromaticContact CE1-ND1 3.88Å; F29-H60 AromaticContact CE1-NE2 3.54Å; F29-H60 AromaticContact CE2-CE1 3.92Å; F29-H60 AromaticContact CE2-ND1 3.96Å; F29-H60 HydrophobicContact CZ-CB 4.33Å; F29-H60 AromaticContact CZ-CD2 3.84Å; F29-H60 AromaticContact CZ-CE1 3.22Å; F29-H60 WeakPolarHBondContact CZ-CE1 3.48Å; F29-H60 AromaticContact CZ-CG 3.55Å; F29-H60 AromaticContact CZ-ND1 3.19Å; F29-H60 WeakPolarHBondContact CZ-ND1 3.38Å; F29-H60 AromaticContact CZ-NE2 3.66Å; F29-F63 HydrophobicContact CD2-CD2 4.37Å; F29-F63 AromaticContact CD2-CE2 3.93Å; F29-F63 HydrophobicContact CD2-CE2 3.93Å; F29-F63 AromaticContact CE2-CD2 3.52Å; F29-F63 HydrophobicContact CE2-CD2 3.52Å; F29-F63 AromaticContact CE2-CE2 3.52Å; F29-F63 HydrophobicContact CE2-CE2 3.52Å; F29-F63 AromaticContact CZ-CD2 3.89Å; F29-F63 HydrophobicContact CZ-CD2 3.89Å; F29-F63 HydrophobicContact CZ-CE2 4.08Å; F29-F74 HydrophobicContact CB-CD2 3.75Å; F29-F74 HydrophobicContact CB-CE2 3.93Å; F29-F74 HydrophobicContact CB-CG 4.35Å; F29-F74 HydrophobicContact CD1-CB 4.14Å; F29-F74 HydrophobicContact CD1-CD1 4.35Å; F29-F74 HydrophobicContact CD1-CD2 4.26Å; F29-F74 AromaticContact CD1-CG 3.99Å; F29-F74 HydrophobicContact CD1-CG 3.99Å; F29-F74 HydrophobicContact CG-CD2 4.28Å; F29-F74 HydrophobicContact CG-CG 4.46Å
30L96.4Very high98Very high20 Ų2035.7 Ų35.711%0.10519%0.19CC..Hα-helixtrans-60-55.2-173-71.3167.6000113.5T32 L33 E34 V39 W44 F74 F76L30-T32 PolarHBondContact O-N 3.17Å; L30-L33 PolarHBondContact O-N 2.86Å; L30-E34 VanDerWaalsContact O-CB 3.28Å; L30-E34 WeakPolarHBondContact O-CB 3.39Å; L30-E34 PolarHBondContact O-N 3.5Å; L30-V39 HydrophobicContact CD2-CG1 3.96Å; L30-W44 HydrophobicContact CB-CE3 4.1Å; L30-W44 HydrophobicContact CD1-CB 4.01Å; L30-W44 HydrophobicContact CD2-CB 3.98Å; L30-W44 WeakPolarHBondContact CD2-O 3.31Å; L30-W44 HydrophobicContact CG-CB 4.5Å; L30-F74 HydrophobicContact CD2-CE2 3.47Å; L30-F74 VanDerWaalsContact CD2-CE2 3.47Å; L30-F74 HydrophobicContact CD2-CZ 3.75Å; L30-F74 HydrophobicContact CG-CE2 3.89Å; L30-F76 HydrophobicContact CD1-CB 4.19Å; L30-F76 HydrophobicContact CD1-CD1 3.45Å; L30-F76 VanDerWaalsContact CD1-CD1 3.45Å; L30-F76 HydrophobicContact CD1-CE1 3.93Å; L30-F76 HydrophobicContact CD1-CG 3.85Å
31I97.4Very high97.9Very high11 Ų1134.6 Ų34.66%0.05618%0.176CC..Hα-helixtrans-67.6-38.6-177.8-58.4-63.3000111S28 E34 K35 W44 C291S28-I31 WeakPolarHBondContact OG-CB 3.47Å; S28-I31 PolarHBondContact OG-N 3.37Å; I31-E34 PolarHBondContact O-N 2.98Å; I31-K35 HydrophobicContact CG2-CD 4.23Å; I31-K35 WeakPolarHBondContact O-CG 3.17Å; I31-K35 PolarHBondContact O-N 3.4Å; I31-W44 HydrophobicContact CD1-CH2 3.6Å; I31-W44 HydrophobicContact CD1-CZ2 4.25Å; I31-W44 HydrophobicContact CD1-CZ3 3.83Å; I31-C291 HydrophobicContact CG1-CB 3.82Å
32T98.5Very high97.5Very high1 Ų134.4 Ų34.41%0.00619%0.19CC..Hα-helixtrans-70.1-39.3-180-62.10000111.6S28 F29 L30 R36 L59 E294S28-T32 WeakPolarHBondContact O-CB 3.4Å; S28-T32 PolarHBondContact O-OG1 2.89Å; S28-T32 VanDerWaalsContact O-OG1 3.08Å; F29-T32 PolarHBondContact O-N 2.77Å; L30-T32 PolarHBondContact O-N 3.17Å; T32-R36 VanDerWaalsContact CG2-NE 3.35Å; T32-R36 WeakPolarHBondContact O-CB 3.33Å; T32-R36 WeakPolarHBondContact O-CG 3.27Å; T32-R36 PolarHBondContact O-N 2.59Å; T32-R36 VanDerWaalsContact O-N 3.1Å; T32-L59 HydrophobicContact CG2-CD1 3.77Å; T32-L59 HydrophobicContact CG2-CD2 3.94Å; T32-E294 VanDerWaalsContact CG2-OE2 3.25Å; T32-E294 WeakPolarHBondContact CG2-OE2 3.44Å; T32-E294 VanDerWaalsContact OG1-CD 3.24Å; T32-E294 PolarHBondContact OG1-OE1 3.15Å; T32-E294 PolarHBondContact OG1-OE2 3Å
33L98.6Very high96.8Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-73.7-29.1175.2-71.7172.9000112.7F29 L30 R36 G37 Y38 V39 A55 V56 L59 F74F29-L33 HydrophobicContact CD1-CD1 4.13Å; F29-L33 VanDerWaalsContact O-CB 3.25Å; F29-L33 WeakPolarHBondContact O-CB 3.15Å; F29-L33 WeakPolarHBondContact O-CG 3.19Å; F29-L33 PolarHBondContact O-N 3.45Å; L30-L33 PolarHBondContact O-N 2.86Å; L33-R36 CarbonylContact O-C 3.49Å; L33-R36 PolarHBondContact O-N 3.41Å; L33-G37 PolarHBondContact O-N 2.81Å; L33-Y38 HydrophobicContact CD2-CD2 4.07Å; L33-Y38 PolarHBondContact O-N 2.86Å; L33-V39 HydrophobicContact CB-CB 4.13Å; L33-V39 HydrophobicContact CB-CG2 3.53Å; L33-V39 HydrophobicContact CD1-CG2 4.24Å; L33-V39 PolarHBondContact O-N 3.32Å; L33-A55 HydrophobicContact CD2-CB 4.35Å; L33-V56 HydrophobicContact CD1-CG2 4.07Å; L33-L59 HydrophobicContact CD1-CD2 4.27Å; L33-L59 HydrophobicContact CD2-CD2 4.02Å; L33-L59 HydrophobicContact CG-CD2 3.72Å; L33-F74 HydrophobicContact CD1-CD1 3.99Å; L33-F74 HydrophobicContact CD1-CE1 3.46Å; L33-F74 VanDerWaalsContact CD1-CE1 3.46Å; L33-F74 HydrophobicContact CD1-CZ 3.9Å
34E98.6Very high96.5Very high51 Ų5141 Ų4124%0.23822%0.222CC..Hα-helixtrans-63.4-48.8171-175.2-78.8161.500110.7L30 I31 R36 G37 V39 A41 W44L30-E34 VanDerWaalsContact O-CB 3.28Å; L30-E34 WeakPolarHBondContact O-CB 3.39Å; L30-E34 PolarHBondContact O-N 3.5Å; I31-E34 PolarHBondContact O-N 2.98Å; E34-R36 PolarHBondContact O-N 2.74Å; E34-R36 VanDerWaalsContact O-N 3.17Å; E34-G37 WeakPolarHBondContact O-CA 3.39Å; E34-G37 PolarHBondContact O-N 3.28Å; E34-V39 VanDerWaalsContact CA-O 3.29Å; E34-V39 WeakPolarHBondContact CA-O 3.19Å; E34-V39 HydrophobicContact CB-CB 4.22Å; E34-V39 HydrophobicContact CB-CG1 4.42Å; E34-V39 WeakPolarHBondContact CG-O 3.3Å; E34-A41 HydrophobicContact CG-CB 4.13Å; E34-W44 HydrophobicContact CB-CH2 4.45Å; E34-W44 HydrophobicContact CB-CZ3 3.73Å; E34-W44 HydrophobicContact CG-CH2 4.08Å; E34-W44 HydrophobicContact CG-CZ3 3.75Å
35K98.4Very high96.1Very high101 Ų10141.9 Ų41.944%0.43923%0.228SC..Hα-helixtrans-61.3-26.3174.1-71173.7-177.6176.60113.5I31I31-K35 HydrophobicContact CG2-CD 4.23Å; I31-K35 WeakPolarHBondContact O-CG 3.17Å; I31-K35 PolarHBondContact O-N 3.4Å
36R98.6Very high95.9Very high86 Ų8641.9 Ų41.933%0.32523%0.228SC..THydrogen-bonded Turntrans-86.9-4.6174.8-68.7175.2-163.7-149.73.4113.4T32 L33 E34 Y38 E62T32-R36 VanDerWaalsContact CG2-NE 3.35Å; T32-R36 WeakPolarHBondContact O-CB 3.33Å; T32-R36 WeakPolarHBondContact O-CG 3.27Å; T32-R36 PolarHBondContact O-N 2.59Å; T32-R36 VanDerWaalsContact O-N 3.1Å; L33-R36 CarbonylContact O-C 3.49Å; L33-R36 PolarHBondContact O-N 3.41Å; E34-R36 PolarHBondContact O-N 2.74Å; E34-R36 VanDerWaalsContact O-N 3.17Å; R36-Y38 HydrophobicContact CB-CD2 3.65Å; R36-Y38 HydrophobicContact CB-CE2 3.85Å; R36-Y38 WeakPolarHBondContact O-CE2 3.26Å; R36-E62 IonicContact CZ-OE2 3.04Å; R36-E62 VanDerWaalsContact CZ-OE2 3.27Å; R36-E62 IonicContact NH1-OE1 3.26Å; R36-E62 PolarHBondContact NH1-OE1 3.16Å; R36-E62 VanDerWaalsContact NH1-OE1 3.17Å; R36-E62 IonicContact NH1-OE2 3.98Å; R36-E62 PolarHBondContact NH1-OE2 3.12Å; R36-E62 IonicContact NH2-OE2 3.67Å; R36-E62 PolarHBondContact NH2-OE2 3.45Å
37G98.3Very high95.7Very high63 Ų6344 Ų4465%0.64924%0.238SC*.THydrogen-bonded Turntrans84.420.9176.200000115.5L33 E34L33-G37 PolarHBondContact O-N 2.81Å; E34-G37 WeakPolarHBondContact O-CA 3.39Å; E34-G37 PolarHBondContact O-N 3.28Å
38Y98Very high95.6Very high91 Ų9143.7 Ų43.736%0.35723%0.234SC..SBendtrans-111.4-16.8-178.3-60.4-68.8000114.2L33 R36 A48 H52 A55L33-Y38 HydrophobicContact CD2-CD2 4.07Å; L33-Y38 PolarHBondContact O-N 2.86Å; R36-Y38 HydrophobicContact CB-CD2 3.65Å; R36-Y38 HydrophobicContact CB-CE2 3.85Å; R36-Y38 WeakPolarHBondContact O-CE2 3.26Å; Y38-A48 WeakPolarHBondContact O-CB 3.31Å; Y38-H52 HydrophobicContact CD1-CB 3.62Å; Y38-H52 AromaticContact CD1-CD2 3.64Å; Y38-H52 AromaticContact CD1-CG 3.54Å; Y38-H52 HydrophobicContact CE1-CB 4Å; Y38-H52 AromaticContact CE1-CG 3.92Å; Y38-H52 HydrophobicContact CG-CB 4.46Å; Y38-A55 HydrophobicContact CD1-CB 3.92Å; Y38-A55 HydrophobicContact CD2-CB 3.48Å; Y38-A55 VanDerWaalsContact CD2-CB 3.48Å; Y38-A55 HydrophobicContact CE1-CB 3.82Å; Y38-A55 HydrophobicContact CE2-CB 3.37Å; Y38-A55 HydrophobicContact CG-CB 3.75Å
39V97Very high95.6Very high9 Ų943.6 Ų43.66%0.05523%0.233CC..SBendtrans-121.4141176.3169.80000108.3L30 L33 E34 W44 F74L30-V39 HydrophobicContact CD2-CG1 3.96Å; L33-V39 HydrophobicContact CB-CB 4.13Å; L33-V39 HydrophobicContact CB-CG2 3.53Å; L33-V39 HydrophobicContact CD1-CG2 4.24Å; L33-V39 PolarHBondContact O-N 3.32Å; E34-V39 VanDerWaalsContact CA-O 3.29Å; E34-V39 WeakPolarHBondContact CA-O 3.19Å; E34-V39 HydrophobicContact CB-CB 4.22Å; E34-V39 HydrophobicContact CB-CG1 4.42Å; E34-V39 WeakPolarHBondContact CG-O 3.3Å; V39-W44 HydrophobicContact CG1-CE3 3.92Å; V39-W44 HydrophobicContact CG1-CZ3 4.43Å; V39-F74 HydrophobicContact CG2-CE1 4.2Å; V39-F74 HydrophobicContact CG2-CZ 3.76Å
40K95.4Very high95.6Very high165 Ų16547 Ų4772%0.71725%0.251SS*.  trans-96.1125175.7-172.1179.6177.4-176.20110.4G42K40-G42 PolarHBondContact O-N 3.36Å
41A94.4Very high95.6Very high23 Ų2351.5 Ų51.519%0.1927%0.272CS..THydrogen-bonded Turntrans-58.6130.5168.100000110.9E34 W44 P259 F260E34-A41 HydrophobicContact CG-CB 4.13Å; A41-W44 HydrophobicContact CB-CH2 3.44Å; A41-W44 VanDerWaalsContact CB-CH2 3.44Å; A41-W44 HydrophobicContact CB-CZ2 3.57Å; A41-W44 HydrophobicContact CB-CZ3 4.06Å; A41-P259 HydrophobicContact CB-CG 4.49Å; A41-F260 HydrophobicContact CB-CE1 3.68Å; A41-F260 HydrophobicContact CB-CZ 3.45Å; A41-F260 VanDerWaalsContact CB-CZ 3.45Å
42G90.1Very high95.7Very high56 Ų5654.9 Ų54.958%0.57729%0.287SS*.THydrogen-bonded Turntrans144.8-103.4-173.200000110.7K40 W44K40-G42 PolarHBondContact O-N 3.36Å; G42-W44 VanDerWaalsContact C-N 3.26Å; G42-W44 PolarHBondContact O-NE1 3.4Å
43L85.1Confident95.7Very high122 Ų12256.8 Ų56.864%0.63930%0.3SS*.THydrogen-bonded Turntrans-75.3-16.4174.1-67.1178.3000113.2T45L43-T45 VanDerWaalsContact C-N 3.29Å; L43-T45 HydrophobicContact CB-CG2 4.02Å; L43-T45 PolarHBondContact O-N 2.78Å
44W91.9Very high95.7Very high27 Ų2762.2 Ų62.210%0.10233%0.329CS..  trans55.742.9178.1-57.8103.9000112.8L30 I31 E34 V39 A41 G42 Y258 P259L30-W44 HydrophobicContact CB-CE3 4.1Å; L30-W44 HydrophobicContact CD1-CB 4.01Å; L30-W44 HydrophobicContact CD2-CB 3.98Å; L30-W44 WeakPolarHBondContact CD2-O 3.31Å; L30-W44 HydrophobicContact CG-CB 4.5Å; I31-W44 HydrophobicContact CD1-CH2 3.6Å; I31-W44 HydrophobicContact CD1-CZ2 4.25Å; I31-W44 HydrophobicContact CD1-CZ3 3.83Å; E34-W44 HydrophobicContact CB-CH2 4.45Å; E34-W44 HydrophobicContact CB-CZ3 3.73Å; E34-W44 HydrophobicContact CG-CH2 4.08Å; E34-W44 HydrophobicContact CG-CZ3 3.75Å; V39-W44 HydrophobicContact CG1-CE3 3.92Å; V39-W44 HydrophobicContact CG1-CZ3 4.43Å; A41-W44 HydrophobicContact CB-CH2 3.44Å; A41-W44 VanDerWaalsContact CB-CH2 3.44Å; A41-W44 HydrophobicContact CB-CZ2 3.57Å; A41-W44 HydrophobicContact CB-CZ3 4.06Å; G42-W44 VanDerWaalsContact C-N 3.26Å; G42-W44 PolarHBondContact O-NE1 3.4Å; W44-Y258 PolarHBondContact NE1-OH 3.14Å; W44-P259 HydrophobicContact CH2-CB 4.33Å; W44-P259 HydrophobicContact CZ2-CB 3.96Å; W44-P259 HydrophobicContact CZ2-CG 4.09Å
45T90.8Very high95.7Very high19 Ų1960.4 Ų60.412%0.11732%0.323CS..  trans-79.9153-179.844.20000111.9L43 E47 M83L43-T45 VanDerWaalsContact C-N 3.29Å; L43-T45 HydrophobicContact CB-CG2 4.02Å; L43-T45 PolarHBondContact O-N 2.78Å; T45-E47 WeakPolarHBondContact CB-OE2 3.14Å; T45-E47 VanDerWaalsContact O-OE2 3.06Å; T45-E47 PolarHBondContact OG1-OE1 3.38Å; T45-E47 PolarHBondContact OG1-OE2 3.33Å; T45-M83 HydrophobicContact CG2-CG 4.16Å
46P94.8Very high95.7Very high0 Ų055.6 Ų55.60%030%0.302CS..  trans-99.735-175.136.9-33.8000114.1A48 V49 F74 F76 A78 M83 V90P46-A48 PolarHBondContact O-N 3.15Å; P46-V49 HydrophobicContact CB-CG1 4.46Å; P46-V49 WeakPolarHBondContact O-CG1 3.19Å; P46-V49 WeakPolarHBondContact O-CG2 3.42Å; P46-V49 PolarHBondContact O-N 2.95Å; P46-F74 HydrophobicContact CB-CD1 3.82Å; P46-F74 HydrophobicContact CB-CD2 3.92Å; P46-F74 HydrophobicContact CB-CE1 3.61Å; P46-F74 HydrophobicContact CB-CE2 3.71Å; P46-F74 HydrophobicContact CB-CG 3.94Å; P46-F74 HydrophobicContact CB-CZ 3.54Å; P46-F74 VanDerWaalsContact CB-O 3.27Å; P46-F74 WeakPolarHBondContact CB-O 3.39Å; P46-F76 WeakPolarHBondContact CD-O 3.25Å; P46-A78 HydrophobicContact CG-CB 3.84Å; P46-M83 HydrophobicContact CG-SD 4.33Å; P46-V90 HydrophobicContact CB-CG1 4.49Å; P46-V90 HydrophobicContact CG-CG1 3.77Å
47E93.8Very high95.7Very high49 Ų4954.2 Ų54.223%0.22930%0.297CS..THydrogen-bonded Turntrans-55.5-23.4177.260.1-88.1-157.300113.6T45 V49 I50 E51 M83T45-E47 WeakPolarHBondContact CB-OE2 3.14Å; T45-E47 VanDerWaalsContact O-OE2 3.06Å; T45-E47 PolarHBondContact OG1-OE1 3.38Å; T45-E47 PolarHBondContact OG1-OE2 3.33Å; E47-V49 PolarHBondContact O-N 2.9Å; E47-I50 PolarHBondContact O-N 3.2Å; E47-E51 PolarHBondContact O-N 3.47Å; E47-M83 HydrophobicContact CB-CE 4.3Å
48A96.8Very high95.7Very high0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-55.7-22.3174.700000114.1Y38 P46 I50 H52 V56 F74Y38-A48 WeakPolarHBondContact O-CB 3.31Å; P46-A48 PolarHBondContact O-N 3.15Å; A48-I50 PolarHBondContact O-N 2.7Å; A48-H52 CarbonylContact O-C 3.51Å; A48-H52 VanDerWaalsContact O-CA 3.26Å; A48-H52 WeakPolarHBondContact O-CA 3.47Å; A48-H52 PolarHBondContact O-N 2.77Å; A48-V56 HydrophobicContact CB-CG2 4.11Å; A48-F74 HydrophobicContact CB-CE1 4.34Å
49V97.4Very high95.8Very high3 Ų351.6 Ų51.62%0.01827%0.271CS..Hα-helixtrans-64-29.5174.7-55.80000112.2P46 E47 P53 V56 F74 V90 A93 A94 L97P46-V49 HydrophobicContact CB-CG1 4.46Å; P46-V49 WeakPolarHBondContact O-CG1 3.19Å; P46-V49 WeakPolarHBondContact O-CG2 3.42Å; P46-V49 PolarHBondContact O-N 2.95Å; E47-V49 PolarHBondContact O-N 2.9Å; V49-P53 WeakPolarHBondContact O-CB 3.47Å; V49-V56 HydrophobicContact CG1-CG1 4.3Å; V49-V56 HydrophobicContact CG1-CG2 4.29Å; V49-F74 HydrophobicContact CG1-CB 4.03Å; V49-F74 HydrophobicContact CG1-CD1 3.49Å; V49-F74 VanDerWaalsContact CG1-CD1 3.49Å; V49-F74 HydrophobicContact CG1-CE1 4.31Å; V49-F74 HydrophobicContact CG1-CG 4.12Å; V49-V90 HydrophobicContact CG2-CB 4.21Å; V49-V90 HydrophobicContact CG2-CG1 3.72Å; V49-V90 HydrophobicContact CG2-CG2 4.43Å; V49-V90 WeakPolarHBondContact CG2-O 3.43Å; V49-A93 HydrophobicContact CG2-CB 4.23Å; V49-A94 HydrophobicContact CB-CB 4.46Å; V49-A94 HydrophobicContact CG1-CB 3.97Å; V49-L97 HydrophobicContact CB-CD1 4.23Å
50I97.1Very high95.9Very high90 Ų9051.1 Ų51.146%0.46227%0.268SS..Hα-helixtrans-95.1-47.3176.5-58.5-60.5000110.5E47 A48 P53 V90 A93E47-I50 PolarHBondContact O-N 3.2Å; A48-I50 PolarHBondContact O-N 2.7Å; I50-P53 WeakPolarHBondContact O-CD 3.46Å; I50-V90 HydrophobicContact CG1-CG2 4.02Å; I50-A93 HydrophobicContact CD1-CB 3.35Å
51E97.4Very high96Very high114 Ų11446 Ų4653%0.53325%0.247SC..Hα-helixtrans-74.4-34.1-172.2-62.6-177.9171.500112.2E47E47-E51 PolarHBondContact O-N 3.47Å
52H98.3Very high96.2Very high82 Ų8247.1 Ų47.138%0.3825%0.249SC..  trans-141.953.8-172-57.5-57.9000112.8Y38 A48 D54 A55 V56Y38-H52 HydrophobicContact CD1-CB 3.62Å; Y38-H52 AromaticContact CD1-CD2 3.64Å; Y38-H52 AromaticContact CD1-CG 3.54Å; Y38-H52 HydrophobicContact CE1-CB 4Å; Y38-H52 AromaticContact CE1-CG 3.92Å; Y38-H52 HydrophobicContact CG-CB 4.46Å; A48-H52 CarbonylContact O-C 3.51Å; A48-H52 VanDerWaalsContact O-CA 3.26Å; A48-H52 WeakPolarHBondContact O-CA 3.47Å; A48-H52 PolarHBondContact O-N 2.77Å; H52-D54 PolarHBondContact O-N 3.44Å; H52-D54 VanDerWaalsContact O-N 3.08Å; H52-A55 HydrophobicContact CB-CB 4.3Å; H52-A55 WeakPolarHBondContact O-CB 3.49Å; H52-A55 PolarHBondContact O-N 3.17Å; H52-V56 PolarHBondContact O-N 2.87Å
53P98.4Very high96.7Very high42 Ų4244.5 Ų44.527%0.27322%0.221SC..Hα-helixtrans-58.1-30.1-173.622-34.2000113.5V49 I50 A55 V56 R57 L97V49-P53 WeakPolarHBondContact O-CB 3.47Å; I50-P53 WeakPolarHBondContact O-CD 3.46Å; P53-A55 VanDerWaalsContact C-N 3.34Å; P53-A55 PolarHBondContact O-N 3.38Å; P53-V56 PolarHBondContact O-N 3.22Å; P53-R57 VanDerWaalsContact O-CB 3.26Å; P53-R57 WeakPolarHBondContact O-CB 3.46Å; P53-R57 PolarHBondContact O-N 3.46Å; P53-L97 HydrophobicContact CB-CD1 4.02Å; P53-L97 HydrophobicContact CB-CD2 4.07Å
54D98.6Very high97.3Very high114 Ų11439.5 Ų39.561%0.6120%0.195SC*.Hα-helixtrans-64.6-37.4177.4-67.5-10.4000112.7H52 R57 Q58H52-D54 PolarHBondContact O-N 3.44Å; H52-D54 VanDerWaalsContact O-N 3.08Å; D54-R57 IonicContact OD1-CZ 2.81Å; D54-R57 IonicContact OD1-NH1 3.28Å; D54-R57 PolarHBondContact OD1-NH1 3.45Å; D54-Q58 WeakPolarHBondContact O-CB 3.34Å; D54-Q58 PolarHBondContact O-N 3.05Å
55A98.7Very high97.6Very high13 Ų1342.8 Ų42.811%0.10721%0.207CC..Hα-helixtrans-66.8-44.4176.800000111.3L33 Y38 H52 P53 Q58 L59L33-A55 HydrophobicContact CD2-CB 4.35Å; Y38-A55 HydrophobicContact CD1-CB 3.92Å; Y38-A55 HydrophobicContact CD2-CB 3.48Å; Y38-A55 VanDerWaalsContact CD2-CB 3.48Å; Y38-A55 HydrophobicContact CE1-CB 3.82Å; Y38-A55 HydrophobicContact CE2-CB 3.37Å; Y38-A55 HydrophobicContact CG-CB 3.75Å; H52-A55 HydrophobicContact CB-CB 4.3Å; H52-A55 WeakPolarHBondContact O-CB 3.49Å; H52-A55 PolarHBondContact O-N 3.17Å; P53-A55 VanDerWaalsContact C-N 3.34Å; P53-A55 PolarHBondContact O-N 3.38Å; A55-Q58 PolarHBondContact O-N 3.24Å; A55-L59 PolarHBondContact O-N 2.77Å
56V98.7Very high98Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-65.3-46.9177.9-178.90000110.7F29 L33 A48 V49 H52 P53 Q58 L59 H60 F74 L97F29-V56 HydrophobicContact CE1-CG1 4.19Å; L33-V56 HydrophobicContact CD1-CG2 4.07Å; A48-V56 HydrophobicContact CB-CG2 4.11Å; V49-V56 HydrophobicContact CG1-CG1 4.3Å; V49-V56 HydrophobicContact CG1-CG2 4.29Å; H52-V56 PolarHBondContact O-N 2.87Å; P53-V56 PolarHBondContact O-N 3.22Å; V56-Q58 VanDerWaalsContact C-N 3.32Å; V56-Q58 PolarHBondContact O-N 3.44Å; V56-L59 PolarHBondContact O-N 3.44Å; V56-H60 PolarHBondContact O-CD2 3.13Å; V56-H60 PolarHBondContact O-N 2.68Å; V56-F74 HydrophobicContact CG1-CB 4.32Å; V56-F74 HydrophobicContact CG1-CD1 4.02Å; V56-F74 HydrophobicContact CG2-CD1 4.03Å; V56-F74 HydrophobicContact CG2-CE1 4.34Å; V56-L97 HydrophobicContact CB-CD1 4.05Å; V56-L97 HydrophobicContact CG1-CD1 4Å
57R98.8Very high98.2Very high57 Ų5742.3 Ų42.322%0.21521%0.206CC..Hα-helixtrans-58.4-44.9176.3-173.6-173-6296.21111.6P53 D54 L59 H60 M61 L97 E100 V101P53-R57 VanDerWaalsContact O-CB 3.26Å; P53-R57 WeakPolarHBondContact O-CB 3.46Å; P53-R57 PolarHBondContact O-N 3.46Å; D54-R57 IonicContact OD1-CZ 2.81Å; D54-R57 IonicContact OD1-NH1 3.28Å; D54-R57 PolarHBondContact OD1-NH1 3.45Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.39Å; R57-H60 PolarHBondContact O-N 2.91Å; R57-M61 WeakPolarHBondContact O-CG 3.5Å; R57-M61 PolarHBondContact O-N 3.42Å; R57-L97 HydrophobicContact CB-CD2 4.36Å; R57-L97 VanDerWaalsContact NH2-CD2 3.35Å; R57-E100 VanDerWaalsContact CD-OE1 3.27Å; R57-E100 WeakPolarHBondContact CD-OE1 3.32Å; R57-E100 IonicContact CZ-OE2 3.46Å; R57-E100 VanDerWaalsContact NE-CD 3.34Å; R57-E100 IonicContact NE-OE1 3.37Å; R57-E100 PolarHBondContact NE-OE1 2.79Å; R57-E100 IonicContact NE-OE2 3.14Å; R57-E100 PolarHBondContact NE-OE2 3.24Å; R57-E100 IonicContact NH2-OE2 3.06Å; R57-E100 PolarHBondContact NH2-OE2 2.91Å; R57-V101 HydrophobicContact CG-CG2 3.76Å
58Q98.9Very high98.5Very high98 Ų9840 Ų4046%0.45820%0.196SC..Hα-helixtrans-63.1-39.6-180178.954.933.700111.2D54 A55 V56 M61 E62D54-Q58 WeakPolarHBondContact O-CB 3.34Å; D54-Q58 PolarHBondContact O-N 3.05Å; A55-Q58 PolarHBondContact O-N 3.24Å; V56-Q58 VanDerWaalsContact C-N 3.32Å; V56-Q58 PolarHBondContact O-N 3.44Å; Q58-M61 WeakPolarHBondContact O-CB 3.34Å; Q58-M61 PolarHBondContact O-N 3.34Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.3Å; Q58-E62 PolarHBondContact NE2-OE1 3.01Å; Q58-E62 VanDerWaalsContact O-CG 3.3Å; Q58-E62 WeakPolarHBondContact O-CG 3.27Å; Q58-E62 PolarHBondContact O-N 2.95Å
59L98.9Very high98.6Very high0 Ų040.5 Ų40.50%020%0.198CC..Hα-helixtrans-66.2-43.5175.8-176.355.5000112.5F29 T32 L33 A55 V56 R57 M61 E62 F63 P295F29-L59 HydrophobicContact CD1-CD2 3.82Å; F29-L59 HydrophobicContact CD1-CG 4.35Å; F29-L59 HydrophobicContact CE1-CB 4.13Å; F29-L59 HydrophobicContact CE1-CD2 3.95Å; F29-L59 HydrophobicContact CE1-CG 3.96Å; F29-L59 HydrophobicContact CG-CD2 4.12Å; F29-L59 HydrophobicContact CZ-CB 4.43Å; F29-L59 HydrophobicContact CZ-CD2 4.34Å; F29-L59 HydrophobicContact CZ-CG 4.02Å; T32-L59 HydrophobicContact CG2-CD1 3.77Å; T32-L59 HydrophobicContact CG2-CD2 3.94Å; L33-L59 HydrophobicContact CD1-CD2 4.27Å; L33-L59 HydrophobicContact CD2-CD2 4.02Å; L33-L59 HydrophobicContact CG-CD2 3.72Å; A55-L59 PolarHBondContact O-N 2.77Å; V56-L59 PolarHBondContact O-N 3.44Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.39Å; L59-M61 VanDerWaalsContact C-N 3.29Å; L59-M61 PolarHBondContact O-N 3.04Å; L59-E62 PolarHBondContact O-N 3.43Å; L59-F63 HydrophobicContact CD1-CD2 4.02Å; L59-F63 HydrophobicContact CD1-CE2 3.5Å; L59-F63 HydrophobicContact CD1-CZ 3.91Å; L59-F63 HydrophobicContact CD2-CE2 4.14Å; L59-F63 HydrophobicContact CG-CD2 4.01Å; L59-F63 HydrophobicContact CG-CE2 3.59Å; L59-F63 HydrophobicContact CG-CZ 4.44Å; L59-F63 WeakPolarHBondContact O-CD2 3.32Å; L59-F63 PolarHBondContact O-N 3.38Å; L59-P295 HydrophobicContact CD1-CG 4.32Å
60H98.9Very high98.6Very high0 Ų040.3 Ų40.30%020%0.197CC..Hα-helixtrans-55.3-45.9170.1-81.1-62.4000111.6F29 V56 R57 E62 F63 L64 M71 Q72 V101F29-H60 AromaticContact CE1-CD2 3.75Å; F29-H60 AromaticContact CE1-CE1 3.59Å; F29-H60 AromaticContact CE1-CG 3.93Å; F29-H60 AromaticContact CE1-ND1 3.88Å; F29-H60 AromaticContact CE1-NE2 3.54Å; F29-H60 AromaticContact CE2-CE1 3.92Å; F29-H60 AromaticContact CE2-ND1 3.96Å; F29-H60 HydrophobicContact CZ-CB 4.33Å; F29-H60 AromaticContact CZ-CD2 3.84Å; F29-H60 AromaticContact CZ-CE1 3.22Å; F29-H60 WeakPolarHBondContact CZ-CE1 3.48Å; F29-H60 AromaticContact CZ-CG 3.55Å; F29-H60 AromaticContact CZ-ND1 3.19Å; F29-H60 WeakPolarHBondContact CZ-ND1 3.38Å; F29-H60 AromaticContact CZ-NE2 3.66Å; V56-H60 PolarHBondContact O-CD2 3.13Å; V56-H60 PolarHBondContact O-N 2.68Å; R57-H60 PolarHBondContact O-N 2.91Å; H60-E62 VanDerWaalsContact C-N 3.29Å; H60-E62 PolarHBondContact O-N 2.63Å; H60-F63 PolarHBondContact O-N 3.03Å; H60-L64 WeakPolarHBondContact O-CB 3.23Å; H60-L64 PolarHBondContact O-N 3.2Å; H60-M71 HydrophobicContact CB-SD 4.06Å; H60-Q72 PolarHBondContact CE1-O 3.39Å; H60-Q72 VanDerWaalsContact CE1-O 3.24Å; H60-V101 HydrophobicContact CB-CB 3.87Å; H60-V101 HydrophobicContact CB-CG1 3.76Å; H60-V101 HydrophobicContact CB-CG2 3.77Å
61M98.9Very high98.7Very high56 Ų5636 Ų3628%0.27618%0.175SC..Hα-helixtrans-61.7-37.1179.4-76.9-61.9-48.200112.2R57 Q58 L59 L64 R65 V101 K104R57-M61 WeakPolarHBondContact O-CG 3.5Å; R57-M61 PolarHBondContact O-N 3.42Å; Q58-M61 WeakPolarHBondContact O-CB 3.34Å; Q58-M61 PolarHBondContact O-N 3.34Å; L59-M61 VanDerWaalsContact C-N 3.29Å; L59-M61 PolarHBondContact O-N 3.04Å; M61-L64 HydrophobicContact CE-CD2 4.48Å; M61-L64 HydrophobicContact SD-CD2 4.41Å; M61-R65 VanDerWaalsContact O-CB 3.27Å; M61-R65 WeakPolarHBondContact O-CB 3.26Å; M61-R65 PolarHBondContact O-N 2.89Å; M61-V101 HydrophobicContact CG-CG1 4.1Å; M61-V101 HydrophobicContact CG-CG2 3.89Å; M61-V101 HydrophobicContact SD-CB 4.17Å; M61-V101 HydrophobicContact SD-CG1 3.55Å; M61-V101 VanDerWaalsContact SD-CG1 3.55Å; M61-V101 HydrophobicContact SD-CG2 3.87Å; M61-K104 HydrophobicContact CE-CD 4.28Å; M61-K104 HydrophobicContact SD-CD 3.59Å; M61-K104 VanDerWaalsContact SD-CD 3.59Å
62E98.9Very high98.8Very high48 Ų4831.7 Ų31.722%0.22416%0.155CC..Hα-helixtrans-66.8-42.7176.4-72.3165-162.700111.9R36 Q58 L59 H60 R65 A66 P295R36-E62 IonicContact CZ-OE2 3.04Å; R36-E62 VanDerWaalsContact CZ-OE2 3.27Å; R36-E62 IonicContact NH1-OE1 3.26Å; R36-E62 PolarHBondContact NH1-OE1 3.16Å; R36-E62 VanDerWaalsContact NH1-OE1 3.17Å; R36-E62 IonicContact NH1-OE2 3.98Å; R36-E62 PolarHBondContact NH1-OE2 3.12Å; R36-E62 IonicContact NH2-OE2 3.67Å; R36-E62 PolarHBondContact NH2-OE2 3.45Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.3Å; Q58-E62 PolarHBondContact NE2-OE1 3.01Å; Q58-E62 VanDerWaalsContact O-CG 3.3Å; Q58-E62 WeakPolarHBondContact O-CG 3.27Å; Q58-E62 PolarHBondContact O-N 2.95Å; L59-E62 PolarHBondContact O-N 3.43Å; H60-E62 VanDerWaalsContact C-N 3.29Å; H60-E62 PolarHBondContact O-N 2.63Å; E62-R65 PolarHBondContact O-N 3.22Å; E62-A66 WeakPolarHBondContact O-CB 3.2Å; E62-A66 PolarHBondContact O-N 3.34Å; E62-P295 HydrophobicContact CB-CB 4Å; E62-P295 HydrophobicContact CB-CG 3.61Å
63F98.9Very high98.8Very high0 Ų028 Ų280%014%0.138CC..Hα-helixtrans-66.8-41174.3-71.7-52.2000112.7D26 F29 L59 H60 R65 A66 G67 S68 M71 F293 P295 I298D26-F63 HydrophobicContact CB-CB 4.04Å; D26-F63 HydrophobicContact CB-CD2 4.15Å; D26-F63 HydrophobicContact CB-CG 4.03Å; F29-F63 HydrophobicContact CD2-CD2 4.37Å; F29-F63 AromaticContact CD2-CE2 3.93Å; F29-F63 HydrophobicContact CD2-CE2 3.93Å; F29-F63 AromaticContact CE2-CD2 3.52Å; F29-F63 HydrophobicContact CE2-CD2 3.52Å; F29-F63 AromaticContact CE2-CE2 3.52Å; F29-F63 HydrophobicContact CE2-CE2 3.52Å; F29-F63 AromaticContact CZ-CD2 3.89Å; F29-F63 HydrophobicContact CZ-CD2 3.89Å; F29-F63 HydrophobicContact CZ-CE2 4.08Å; L59-F63 HydrophobicContact CD1-CD2 4.02Å; L59-F63 HydrophobicContact CD1-CE2 3.5Å; L59-F63 HydrophobicContact CD1-CZ 3.91Å; L59-F63 HydrophobicContact CD2-CE2 4.14Å; L59-F63 HydrophobicContact CG-CD2 4.01Å; L59-F63 HydrophobicContact CG-CE2 3.59Å; L59-F63 HydrophobicContact CG-CZ 4.44Å; L59-F63 WeakPolarHBondContact O-CD2 3.32Å; L59-F63 PolarHBondContact O-N 3.38Å; H60-F63 PolarHBondContact O-N 3.03Å; F63-R65 VanDerWaalsContact C-N 3.34Å; F63-R65 PolarHBondContact O-N 2.95Å; F63-A66 WeakPolarHBondContact O-CB 3.37Å; F63-A66 PolarHBondContact O-N 3.42Å; F63-G67 PolarHBondContact O-N 2.92Å; F63-S68 VanDerWaalsContact O-CB 3.29Å; F63-S68 WeakPolarHBondContact O-CB 3.48Å; F63-S68 PolarHBondContact O-N 3.46Å; F63-M71 HydrophobicContact CB-CE 4.49Å; F63-F293 WeakPolarHBondContact CZ-O 3.45Å; F63-P295 HydrophobicContact CD1-CB 4.36Å; F63-P295 HydrophobicContact CD1-CG 4.21Å; F63-P295 HydrophobicContact CE1-CB 4.47Å; F63-P295 HydrophobicContact CE1-CG 4.05Å; F63-I298 HydrophobicContact CD1-CB 4.33Å; F63-I298 HydrophobicContact CD1-CG1 3.63Å; F63-I298 HydrophobicContact CE1-CG1 3.83Å
64L98.9Very high98.7Very high18 Ų1826.2 Ų26.29%0.09413%0.126CC..Hα-helixtrans-58.9-47.6173.1-179.266.9000110.7H60 M61 A66 G67 M71 V101 K104 A107H60-L64 WeakPolarHBondContact O-CB 3.23Å; H60-L64 PolarHBondContact O-N 3.2Å; M61-L64 HydrophobicContact CE-CD2 4.48Å; M61-L64 HydrophobicContact SD-CD2 4.41Å; L64-A66 VanDerWaalsContact C-N 3.26Å; L64-A66 PolarHBondContact O-N 3.48Å; L64-G67 PolarHBondContact O-N 3.48Å; L64-M71 HydrophobicContact CB-CE 4.15Å; L64-M71 HydrophobicContact CB-SD 4.19Å; L64-M71 HydrophobicContact CD1-CE 4.42Å; L64-V101 HydrophobicContact CB-CG1 4.06Å; L64-V101 HydrophobicContact CD2-CG1 3.76Å; L64-V101 VanDerWaalsContact CD2-O 3.31Å; L64-V101 WeakPolarHBondContact CD2-O 3.34Å; L64-K104 HydrophobicContact CD2-CB 4.21Å; L64-A107 HydrophobicContact CD1-CB 3.58Å
65R98.9Very high98.5Very high96 Ų9620.9 Ų20.936%0.36210%0.097SC..Hα-helixtrans-63-34.7177.6-168-179.5163.968.55.2111.5M61 E62 F63 G67 P314 A315 E317M61-R65 VanDerWaalsContact O-CB 3.27Å; M61-R65 WeakPolarHBondContact O-CB 3.26Å; M61-R65 PolarHBondContact O-N 2.89Å; E62-R65 PolarHBondContact O-N 3.22Å; F63-R65 VanDerWaalsContact C-N 3.34Å; F63-R65 PolarHBondContact O-N 2.95Å; R65-G67 PolarHBondContact O-N 3.46Å; R65-P314 HydrophobicContact CG-CB 3.94Å; R65-P314 PolarHBondContact NH2-O 3.01Å; R65-P314 WeakPolarHBondContact O-CD 3.28Å; R65-A315 HydrophobicContact CG-CB 4.17Å; R65-A315 VanDerWaalsContact O-CB 3.22Å; R65-A315 WeakPolarHBondContact O-CB 3.35Å; R65-A315 PolarHBondContact O-N 3.16Å; R65-E317 IonicContact CZ-OE2 3.89Å; R65-E317 IonicContact NH1-OE2 2.94Å; R65-E317 PolarHBondContact NH1-OE2 3.07Å; R65-E317 IonicContact NH2-OE2 2.79Å; R65-E317 PolarHBondContact NH2-OE2 3.39Å
66A98.9Very high97.8Very high1 Ų122 Ų221%0.00810%0.1CC..Hα-helixtrans-67.2-14.4175.200000113.8E62 F63 L64 P295 I298 R299 P313E62-A66 WeakPolarHBondContact O-CB 3.2Å; E62-A66 PolarHBondContact O-N 3.34Å; F63-A66 WeakPolarHBondContact O-CB 3.37Å; F63-A66 PolarHBondContact O-N 3.42Å; L64-A66 VanDerWaalsContact C-N 3.26Å; L64-A66 PolarHBondContact O-N 3.48Å; A66-P295 HydrophobicContact CB-CB 4.39Å; A66-P295 WeakPolarHBondContact CB-O 3.41Å; A66-I298 HydrophobicContact CB-CB 3.94Å; A66-I298 HydrophobicContact CB-CG2 3.96Å; A66-R299 HydrophobicContact CB-CB 4.21Å; A66-R299 WeakPolarHBondContact O-CA 3.4Å; A66-P313 WeakPolarHBondContact O-CB 3.24Å; A66-P313 WeakPolarHBondContact O-CG 3.29Å
67G98.7Very high97.1Very high7 Ų722.9 Ų22.97%0.07211%0.106CC..THydrogen-bonded Turntrans109.711176.300000114.9I24 F63 L64 R65 R309I24-G67 WeakPolarHBondContact CB-O 3.03Å; F63-G67 PolarHBondContact O-N 2.92Å; L64-G67 PolarHBondContact O-N 3.48Å; R65-G67 PolarHBondContact O-N 3.46Å; G67-R309 PolarHBondContact O-NH2 2.67Å
68S98.8Very high96.5Very high2 Ų220.1 Ų20.11%0.01410%0.095CC..  trans-61.5135.8173.1178.50000111I24 G25 D26 F63 V70 M71I24-S68 PolarHBondContact O-OG 3.44Å; G25-S68 VanDerWaalsContact C-OG 3.3Å; G25-S68 PolarHBondContact O-OG 2.87Å; D26-S68 PolarHBondContact N-OG 3.45Å; F63-S68 VanDerWaalsContact O-CB 3.29Å; F63-S68 WeakPolarHBondContact O-CB 3.48Å; F63-S68 PolarHBondContact O-N 3.46Å; S68-V70 PolarHBondContact OG-N 3.16Å; S68-V70 VanDerWaalsContact OG-N 3.08Å; S68-V70 PolarHBondContact OG-O 3.25Å; S68-M71 WeakPolarHBondContact OG-CE 3.45Å
69N98.8Very high95.9Very high9 Ų915.9 Ų15.95%0.0488%0.076CC..SBendtrans-98.71.4173-62.8119.1000112.2V23 I24 D106 A107 L108 R309V23-N69 HydrophobicContact CG1-CB 4.05Å; I24-N69 PolarHBondContact N-OD1 3.42Å; I24-N69 VanDerWaalsContact N-OD1 3.12Å; I24-N69 PolarHBondContact O-N 2.96Å; N69-D106 PolarHBondContact ND2-O 3.38Å; N69-A107 CarbonylContact O-C 3.5Å; N69-A107 WeakPolarHBondContact O-CA 3.42Å; N69-L108 PolarHBondContact O-N 3Å; N69-R309 PolarHBondContact OD1-NH2 2.93Å
70V98.9Very high95.2Very high0 Ų019.6 Ų19.60%09%0.094CC..EExtended strand (participates in β ladder)trans-136.9124-179.2-178.40000109.8V23 D26 S68 L108 A110 F146 Y286V23-V70 HydrophobicContact CG1-CG2 3.76Å; D26-V70 WeakPolarHBondContact CB-O 3.39Å; S68-V70 PolarHBondContact OG-N 3.16Å; S68-V70 VanDerWaalsContact OG-N 3.08Å; S68-V70 PolarHBondContact OG-O 3.25Å; V70-L108 CarbonylContact C-O 3.44Å; V70-L108 WeakPolarHBondContact CA-O 3.43Å; V70-A110 HydrophobicContact CG1-CB 3.64Å; V70-F146 HydrophobicContact CB-CZ 4.46Å; V70-F146 HydrophobicContact CG1-CE1 3.93Å; V70-F146 HydrophobicContact CG1-CZ 3.7Å; V70-F146 HydrophobicContact CG2-CE1 4.06Å; V70-F146 HydrophobicContact CG2-CZ 3.86Å; V70-Y286 WeakPolarHBondContact CG1-OH 3.49Å; V70-Y286 HydrophobicContact CG2-CE2 3.87Å
71M98.8Very high94.5Very high0 Ų021.9 Ų21.90%011%0.106CC..EExtended strand (participates in β ladder)trans-99.498.2165.7-56.5-6395.900106.8H60 F63 L64 S68 A98 V101 A102 A107 L108 V109 A110H60-M71 HydrophobicContact CB-SD 4.06Å; F63-M71 HydrophobicContact CB-CE 4.49Å; L64-M71 HydrophobicContact CB-CE 4.15Å; L64-M71 HydrophobicContact CB-SD 4.19Å; L64-M71 HydrophobicContact CD1-CE 4.42Å; S68-M71 WeakPolarHBondContact OG-CE 3.45Å; M71-A98 HydrophobicContact CB-CB 4.13Å; M71-V101 HydrophobicContact CG-CG1 4.46Å; M71-V101 HydrophobicContact SD-CG1 3.88Å; M71-A102 HydrophobicContact CB-CB 4.44Å; M71-A102 HydrophobicContact CG-CB 3.94Å; M71-A107 HydrophobicContact CE-CB 4.12Å; M71-A107 HydrophobicContact CG-CB 4.18Å; M71-L108 PolarHBondContact N-O 3.49Å; M71-V109 WeakPolarHBondContact O-CA 3.44Å; M71-A110 PolarHBondContact O-N 3.48Å; M71-A110 VanDerWaalsContact O-N 3.09Å
72Q98.8Very high93.8Very high23 Ų2321.4 Ų21.411%0.10711%0.105CC..EExtended strand (participates in β ladder)trans-71.4134.3174.8-172.8173.1-80.500109.3D26 H60 F74 E150D26-Q72 PolarHBondContact OD2-N 2.72Å; H60-Q72 PolarHBondContact CE1-O 3.39Å; H60-Q72 VanDerWaalsContact CE1-O 3.24Å; Q72-F74 PolarHBondContact O-N 3.04Å; Q72-E150 VanDerWaalsContact NE2-CD 3.34Å; Q72-E150 PolarHBondContact NE2-OE1 2.95Å
73T98.3Very high93.1Very high3 Ų320.1 Ų20.12%0.01810%0.099CC..  trans-60.1133.7177.855.80000109.6T75 C95 A98 V109 A110 G112 V144T73-T75 PolarHBondContact O-N 3.3Å; T73-T75 PolarHBondContact O-OG1 3.16Å; T73-T75 PolarHBondContact OG1-OG1 2.92Å; T73-C95 HydrophobicContact CG2-CB 4.37Å; T73-A98 HydrophobicContact CG2-CB 4.23Å; T73-V109 HydrophobicContact CG2-CG1 3.87Å; T73-A110 WeakPolarHBondContact CG2-O 3.47Å; T73-A110 PolarHBondContact N-O 3.43Å; T73-A110 PolarHBondContact OG1-O 3.08Å; T73-G112 PolarHBondContact OG1-N 2.93Å; T73-V144 HydrophobicContact CG2-CG1 4.37Å
74F97.1Very high92.5Very high5 Ų527.3 Ų27.32%0.02213%0.132CC..SBendtrans-76.470.1177.1-173.5-147.3000110.5F29 L30 L33 V39 P46 A48 V49 V56 Q72 A94F29-F74 HydrophobicContact CB-CD2 3.75Å; F29-F74 HydrophobicContact CB-CE2 3.93Å; F29-F74 HydrophobicContact CB-CG 4.35Å; F29-F74 HydrophobicContact CD1-CB 4.14Å; F29-F74 HydrophobicContact CD1-CD1 4.35Å; F29-F74 HydrophobicContact CD1-CD2 4.26Å; F29-F74 AromaticContact CD1-CG 3.99Å; F29-F74 HydrophobicContact CD1-CG 3.99Å; F29-F74 HydrophobicContact CG-CD2 4.28Å; F29-F74 HydrophobicContact CG-CG 4.46Å; L30-F74 HydrophobicContact CD2-CE2 3.47Å; L30-F74 VanDerWaalsContact CD2-CE2 3.47Å; L30-F74 HydrophobicContact CD2-CZ 3.75Å; L30-F74 HydrophobicContact CG-CE2 3.89Å; L33-F74 HydrophobicContact CD1-CD1 3.99Å; L33-F74 HydrophobicContact CD1-CE1 3.46Å; L33-F74 VanDerWaalsContact CD1-CE1 3.46Å; L33-F74 HydrophobicContact CD1-CZ 3.9Å; V39-F74 HydrophobicContact CG2-CE1 4.2Å; V39-F74 HydrophobicContact CG2-CZ 3.76Å; P46-F74 HydrophobicContact CB-CD1 3.82Å; P46-F74 HydrophobicContact CB-CD2 3.92Å; P46-F74 HydrophobicContact CB-CE1 3.61Å; P46-F74 HydrophobicContact CB-CE2 3.71Å; P46-F74 HydrophobicContact CB-CG 3.94Å; P46-F74 HydrophobicContact CB-CZ 3.54Å; P46-F74 VanDerWaalsContact CB-O 3.27Å; P46-F74 WeakPolarHBondContact CB-O 3.39Å; A48-F74 HydrophobicContact CB-CE1 4.34Å; V49-F74 HydrophobicContact CG1-CB 4.03Å; V49-F74 HydrophobicContact CG1-CD1 3.49Å; V49-F74 VanDerWaalsContact CG1-CD1 3.49Å; V49-F74 HydrophobicContact CG1-CE1 4.31Å; V49-F74 HydrophobicContact CG1-CG 4.12Å; V56-F74 HydrophobicContact CG1-CB 4.32Å; V56-F74 HydrophobicContact CG1-CD1 4.02Å; V56-F74 HydrophobicContact CG2-CD1 4.03Å; V56-F74 HydrophobicContact CG2-CE1 4.34Å; Q72-F74 PolarHBondContact O-N 3.04Å; F74-A94 WeakPolarHBondContact O-CB 3.47Å
75T93.4Very high91.8Very high2 Ų231.5 Ų31.51%0.01216%0.163CC..  trans-126.49.4-169.950.60000113.3T73 S77 A78 N91 A94 G112 F139T73-T75 PolarHBondContact O-N 3.3Å; T73-T75 PolarHBondContact O-OG1 3.16Å; T73-T75 PolarHBondContact OG1-OG1 2.92Å; T75-S77 PolarHBondContact O-N 3.39Å; T75-A78 VanDerWaalsContact O-CB 3.27Å; T75-A78 WeakPolarHBondContact O-CB 3.36Å; T75-A78 PolarHBondContact O-N 3.09Å; T75-N91 VanDerWaalsContact CB-OD1 3.31Å; T75-N91 WeakPolarHBondContact CB-OD1 3.27Å; T75-N91 HydrophobicContact CG2-CB 4.13Å; T75-N91 VanDerWaalsContact CG2-OD1 3.29Å; T75-N91 WeakPolarHBondContact CG2-OD1 3.39Å; T75-A94 HydrophobicContact CG2-CB 3.5Å; T75-A94 VanDerWaalsContact CG2-CB 3.5Å; T75-G112 PolarHBondContact OG1-O 3.28Å; T75-G112 VanDerWaalsContact OG1-O 3.09Å; T75-F139 HydrophobicContact CG2-CE1 4.24Å
76F85.3Confident91.4Very high37 Ų3733.4 Ų33.416%0.16217%0.174CC..THydrogen-bonded Turntrans-54.2130.7175-176.3-88.4000110.2L30 P46 A78 C114 Y151L30-F76 HydrophobicContact CD1-CB 4.19Å; L30-F76 HydrophobicContact CD1-CD1 3.45Å; L30-F76 VanDerWaalsContact CD1-CD1 3.45Å; L30-F76 HydrophobicContact CD1-CE1 3.93Å; L30-F76 HydrophobicContact CD1-CG 3.85Å; P46-F76 WeakPolarHBondContact CD-O 3.25Å; F76-A78 PolarHBondContact O-N 3.44Å; F76-C114 HydrophobicContact CD2-CB 3.96Å; F76-C114 HydrophobicContact CE2-CB 3.78Å; F76-Y151 AromaticContact CE2-CD1 3.86Å; F76-Y151 HydrophobicContact CE2-CD1 3.86Å; F76-Y151 AromaticContact CE2-CG 3.9Å; F76-Y151 HydrophobicContact CE2-CG 3.9Å; F76-Y151 AromaticContact CZ-CD1 3.84Å; F76-Y151 HydrophobicContact CZ-CD1 3.84Å; F76-Y151 HydrophobicContact CZ-CE1 4.09Å; F76-Y151 HydrophobicContact CZ-CG 4.26Å
77S83.2Confident91.1Very high18 Ų1834.5 Ų34.513%0.12618%0.178CC..THydrogen-bonded Turntrans5514-174.9-61.40000115.9T75 S79 N82T75-S77 PolarHBondContact O-N 3.39Å; S77-S79 PolarHBondContact O-N 2.82Å; S77-N82 WeakPolarHBondContact O-CB 3.47Å; S77-N82 PolarHBondContact O-ND2 3.44Å
78A87.1Confident91Very high0 Ų038.6 Ų38.60%020%0.195CC..  trans-8153.1175.100000111.4P46 T75 F76 M83 V90 N91P46-A78 HydrophobicContact CG-CB 3.84Å; T75-A78 VanDerWaalsContact O-CB 3.27Å; T75-A78 WeakPolarHBondContact O-CB 3.36Å; T75-A78 PolarHBondContact O-N 3.09Å; F76-A78 PolarHBondContact O-N 3.44Å; A78-M83 HydrophobicContact CB-SD 3.88Å; A78-V90 HydrophobicContact CB-CG1 4.02Å; A78-N91 VanDerWaalsContact CB-ND2 3.29Å; A78-N91 WeakPolarHBondContact CB-ND2 3.33Å; A78-N91 PolarHBondContact O-ND2 2.86Å
79S84.6Confident90.8Very high8 Ų844 Ų446%0.05622%0.224CC..SBendtrans-104.7159-179.855.50000110.8S77 D81 N82 M83S77-S79 PolarHBondContact O-N 2.82Å; S79-D81 WeakPolarHBondContact CB-OD1 3.34Å; S79-D81 PolarHBondContact O-N 3.05Å; S79-D81 PolarHBondContact OG-OD1 3.06Å; S79-N82 PolarHBondContact O-N 3.19Å; S79-N82 PolarHBondContact OG-ND2 3.25Å; S79-M83 PolarHBondContact O-N 3.16Å
80E85.4Confident90.7Very high79 Ų7943.8 Ų43.837%0.36922%0.223SC..Hα-helixtrans-54.8-36.3179.9-176.1179.1-14200112.3N82 E84 W87 L131 Q134E80-N82 VanDerWaalsContact C-N 3.29Å; E80-N82 PolarHBondContact O-N 3.21Å; E80-E84 WeakPolarHBondContact O-CA 3.46Å; E80-E84 PolarHBondContact O-N 3.47Å; E80-W87 HydrophobicContact CB-CG 4.25Å; E80-L131 HydrophobicContact CB-CD2 4.06Å; E80-Q134 PolarHBondContact OE2-NE2 2.94Å; E80-Q134 PolarHBondContact OE2-OE1 3.12Å
81D83.6Confident90.6Very high47 Ų4743.8 Ų43.825%0.25122%0.223SC..Hα-helixtrans-70.3-21.3178.963.7-52.2000114.2S79 S117S79-D81 WeakPolarHBondContact CB-OD1 3.34Å; S79-D81 PolarHBondContact O-N 3.05Å; S79-D81 PolarHBondContact OG-OD1 3.06Å; D81-S117 PolarHBondContact OD2-OG 3.13Å
82N84.5Confident90.6Very high47 Ų4744.3 Ų44.325%0.25123%0.227SC..Hα-helixtrans-105.5-27.5-177.6-72.7-40.3000113.5S77 S79 E80S77-N82 WeakPolarHBondContact O-CB 3.47Å; S77-N82 PolarHBondContact O-ND2 3.44Å; S79-N82 PolarHBondContact O-N 3.19Å; S79-N82 PolarHBondContact OG-ND2 3.25Å; E80-N82 VanDerWaalsContact C-N 3.29Å; E80-N82 PolarHBondContact O-N 3.21Å
83M84.7Confident90.6Very high21 Ų2144.2 Ų44.210%0.10323%0.231CC..Hα-helixtrans-125.24.7-173.6-60.9-166.482.200114.8T45 P46 E47 A78 S79 S85 K86 W87 V90T45-M83 HydrophobicContact CG2-CG 4.16Å; P46-M83 HydrophobicContact CG-SD 4.33Å; E47-M83 HydrophobicContact CB-CE 4.3Å; A78-M83 HydrophobicContact CB-SD 3.88Å; S79-M83 PolarHBondContact O-N 3.16Å; M83-S85 PolarHBondContact O-N 3.19Å; M83-K86 WeakPolarHBondContact O-CB 3.19Å; M83-K86 PolarHBondContact O-N 3.49Å; M83-K86 VanDerWaalsContact O-N 3.16Å; M83-W87 HydrophobicContact CB-CB 4.11Å; M83-V90 HydrophobicContact CE-CB 4.39Å; M83-V90 HydrophobicContact CE-CG1 4.15Å; M83-V90 HydrophobicContact CE-CG2 3.78Å; M83-V90 HydrophobicContact SD-CB 4.38Å; M83-V90 HydrophobicContact SD-CG1 3.98Å; M83-V90 HydrophobicContact SD-CG2 4.38Å
84E84.9Confident90.6Very high150 Ų15044.1 Ų44.170%0.70123%0.23SC*.G310 helixtrans46.4-139.2-177.3-58.6-179-177.400111E80 K86 W87E80-E84 WeakPolarHBondContact O-CA 3.46Å; E80-E84 PolarHBondContact O-N 3.47Å; E84-K86 PolarHBondContact O-N 2.79Å; E84-W87 PolarHBondContact O-N 2.81Å
85S84.9Confident90.7Very high106 Ų10644 Ų4474%0.74123%0.229SC*.G310 helixtrans-61.9-8-176.159.40000116M83M83-S85 PolarHBondContact O-N 3.19Å
86K90.3Very high90.9Very high136 Ų13647.9 Ų47.959%0.59125%0.25SS*.G310 helixtrans-86.8-13179.9-61.2-178.8179.91800113.6M83 E84 E88 D89 V90M83-K86 WeakPolarHBondContact O-CB 3.19Å; M83-K86 PolarHBondContact O-N 3.49Å; M83-K86 VanDerWaalsContact O-N 3.16Å; E84-K86 PolarHBondContact O-N 2.79Å; K86-E88 VanDerWaalsContact C-N 3.31Å; K86-E88 PolarHBondContact O-N 2.78Å; K86-D89 PolarHBondContact O-N 3.08Å; K86-V90 WeakPolarHBondContact O-CB 3.22Å; K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.42Å; K86-V90 PolarHBondContact O-N 3.46Å; K86-V90 VanDerWaalsContact O-N 3.16Å
87W93.7Very high91.6Very high25 Ų2546.6 Ų46.610%0.09525%0.245CC..Hα-helixtrans-56.8-44.7-171.577.6-99.2000111.7E80 M83 E84 V90 N91 Q134 Q135 V138E80-W87 HydrophobicContact CB-CG 4.25Å; M83-W87 HydrophobicContact CB-CB 4.11Å; E84-W87 PolarHBondContact O-N 2.81Å; W87-V90 PolarHBondContact O-N 3.17Å; W87-N91 PolarHBondContact O-N 3.36Å; W87-N91 PolarHBondContact O-ND2 2.94Å; W87-Q134 HydrophobicContact CH2-CB 3.59Å; W87-Q134 HydrophobicContact CH2-CG 4.32Å; W87-Q134 WeakPolarHBondContact CH2-O 3.44Å; W87-Q134 HydrophobicContact CZ2-CB 3.91Å; W87-Q134 HydrophobicContact CZ2-CG 4.2Å; W87-Q134 HydrophobicContact CZ3-CB 4.09Å; W87-Q134 WeakPolarHBondContact CZ3-O 3.37Å; W87-Q135 HydrophobicContact CZ3-CG 4.49Å; W87-V138 HydrophobicContact CH2-CG2 3.97Å; W87-V138 HydrophobicContact CZ3-CG2 3.62Å
88E95.3Very high92.3Very high93 Ų9345.8 Ų45.844%0.43524%0.239SC..Hα-helixtrans-66-49-174.4-170.4176.6178.100112.1K86 V90 N91 A92 V138K86-E88 VanDerWaalsContact C-N 3.31Å; K86-E88 PolarHBondContact O-N 2.78Å; E88-V90 VanDerWaalsContact C-N 3.3Å; E88-V90 PolarHBondContact O-N 2.97Å; E88-N91 PolarHBondContact O-N 3.36Å; E88-A92 VanDerWaalsContact O-CB 3.32Å; E88-A92 WeakPolarHBondContact O-CB 3.29Å; E88-A92 PolarHBondContact O-N 3.37Å; E88-V138 HydrophobicContact CG-CG2 4.02Å
89D95.7Very high92.8Very high115 Ų11549.4 Ų49.462%0.61525%0.253SS*.Hα-helixtrans-60.3-41.1178.7-74.6-25.2000111.7K86 A92 A93K86-D89 PolarHBondContact O-N 3.08Å; D89-A92 PolarHBondContact O-N 3Å; D89-A93 WeakPolarHBondContact O-CB 3.26Å; D89-A93 PolarHBondContact O-N 2.94Å
90V96.6Very high93.5Very high5 Ų552.6 Ų52.63%0.0327%0.267CS..Hα-helixtrans-64.5-47.5177.1168.20000110.8P46 V49 I50 A78 M83 K86 W87 E88 A92 A93 A94P46-V90 HydrophobicContact CB-CG1 4.49Å; P46-V90 HydrophobicContact CG-CG1 3.77Å; V49-V90 HydrophobicContact CG2-CB 4.21Å; V49-V90 HydrophobicContact CG2-CG1 3.72Å; V49-V90 HydrophobicContact CG2-CG2 4.43Å; V49-V90 WeakPolarHBondContact CG2-O 3.43Å; I50-V90 HydrophobicContact CG1-CG2 4.02Å; A78-V90 HydrophobicContact CB-CG1 4.02Å; M83-V90 HydrophobicContact CE-CB 4.39Å; M83-V90 HydrophobicContact CE-CG1 4.15Å; M83-V90 HydrophobicContact CE-CG2 3.78Å; M83-V90 HydrophobicContact SD-CB 4.38Å; M83-V90 HydrophobicContact SD-CG1 3.98Å; M83-V90 HydrophobicContact SD-CG2 4.38Å; K86-V90 WeakPolarHBondContact O-CB 3.22Å; K86-V90 VanDerWaalsContact O-CG2 3.27Å; K86-V90 WeakPolarHBondContact O-CG2 3.42Å; K86-V90 PolarHBondContact O-N 3.46Å; K86-V90 VanDerWaalsContact O-N 3.16Å; W87-V90 PolarHBondContact O-N 3.17Å; E88-V90 VanDerWaalsContact C-N 3.3Å; E88-V90 PolarHBondContact O-N 2.97Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 2.79Å; V90-A93 PolarHBondContact O-N 3.09Å; V90-A94 VanDerWaalsContact O-CB 3.28Å; V90-A94 WeakPolarHBondContact O-CB 3.28Å; V90-A94 PolarHBondContact O-N 2.98Å
91N97.3Very high94.1Very high0 Ų048.8 Ų48.80%025%0.249CC..Hα-helixtrans-62.1-43.1176.8-78.5-95.1000111.6T75 A78 W87 E88 A94 C95 Q135 V138T75-N91 VanDerWaalsContact CB-OD1 3.31Å; T75-N91 WeakPolarHBondContact CB-OD1 3.27Å; T75-N91 HydrophobicContact CG2-CB 4.13Å; T75-N91 VanDerWaalsContact CG2-OD1 3.29Å; T75-N91 WeakPolarHBondContact CG2-OD1 3.39Å; A78-N91 VanDerWaalsContact CB-ND2 3.29Å; A78-N91 WeakPolarHBondContact CB-ND2 3.33Å; A78-N91 PolarHBondContact O-ND2 2.86Å; W87-N91 PolarHBondContact O-N 3.36Å; W87-N91 PolarHBondContact O-ND2 2.94Å; E88-N91 PolarHBondContact O-N 3.36Å; N91-A94 PolarHBondContact O-N 2.87Å; N91-C95 PolarHBondContact O-N 2.85Å; N91-C95 PolarHBondContact O-SG 3.36Å; N91-Q135 PolarHBondContact OD1-NE2 3.25Å; N91-V138 HydrophobicContact CB-CB 4.23Å; N91-V138 HydrophobicContact CB-CG1 3.73Å; N91-V138 HydrophobicContact CB-CG2 4.38Å
92A98.1Very high94.8Very high10 Ų1046.6 Ų46.68%0.08324%0.237CC..Hα-helixtrans-62.5-47.4-179.900000111.7E88 D89 V90 C95 D96 V138 W141 K142E88-A92 VanDerWaalsContact O-CB 3.32Å; E88-A92 WeakPolarHBondContact O-CB 3.29Å; E88-A92 PolarHBondContact O-N 3.37Å; D89-A92 PolarHBondContact O-N 3Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 2.79Å; A92-C95 WeakPolarHBondContact O-CB 3.32Å; A92-C95 PolarHBondContact O-N 3.01Å; A92-D96 PolarHBondContact O-N 2.91Å; A92-D96 VanDerWaalsContact O-N 3.13Å; A92-V138 HydrophobicContact CB-CG1 4.34Å; A92-W141 HydrophobicContact CB-CH2 4.12Å; A92-W141 HydrophobicContact CB-CZ2 4.08Å; A92-K142 VanDerWaalsContact CA-CE 3.49Å; A92-K142 VanDerWaalsContact CB-CE 3.43Å; A92-K142 VanDerWaalsContact O-CE 3.29Å; A92-K142 WeakPolarHBondContact O-CE 3.37Å
93A98.3Very high95.5Very high22 Ų2247.4 Ų47.418%0.18226%0.257CS..Hα-helixtrans-66.5-39.2178.300000112.4V49 I50 D89 V90 C95 D96 L97V49-A93 HydrophobicContact CG2-CB 4.23Å; I50-A93 HydrophobicContact CD1-CB 3.35Å; D89-A93 WeakPolarHBondContact O-CB 3.26Å; D89-A93 PolarHBondContact O-N 2.94Å; V90-A93 PolarHBondContact O-N 3.09Å; A93-C95 VanDerWaalsContact C-N 3.31Å; A93-C95 PolarHBondContact O-N 3.25Å; A93-D96 PolarHBondContact O-N 3.26Å; A93-L97 WeakPolarHBondContact O-CG 3.27Å; A93-L97 PolarHBondContact O-N 3.43Å
94A98.4Very high96.1Very high0 Ų051.8 Ų51.80%028%0.276CS..Hα-helixtrans-59.7-41.7174.800000111.9V49 F74 T75 V90 N91 A98V49-A94 HydrophobicContact CB-CB 4.46Å; V49-A94 HydrophobicContact CG1-CB 3.97Å; F74-A94 WeakPolarHBondContact O-CB 3.47Å; T75-A94 HydrophobicContact CG2-CB 3.5Å; T75-A94 VanDerWaalsContact CG2-CB 3.5Å; V90-A94 VanDerWaalsContact O-CB 3.28Å; V90-A94 WeakPolarHBondContact O-CB 3.28Å; V90-A94 PolarHBondContact O-N 2.98Å; N91-A94 PolarHBondContact O-N 2.87Å; A94-A98 WeakPolarHBondContact O-CB 3.29Å; A94-A98 PolarHBondContact O-N 3.4Å
95C98.7Very high96.6Very high2 Ų246.1 Ų46.11%0.01426%0.258CS..Hα-helixtrans-61.9-43.1174.6-67.20000112.2T73 N91 A92 A93 A98 R99 K142T73-C95 HydrophobicContact CG2-CB 4.37Å; N91-C95 PolarHBondContact O-N 2.85Å; N91-C95 PolarHBondContact O-SG 3.36Å; A92-C95 WeakPolarHBondContact O-CB 3.32Å; A92-C95 PolarHBondContact O-N 3.01Å; A93-C95 VanDerWaalsContact C-N 3.31Å; A93-C95 PolarHBondContact O-N 3.25Å; C95-A98 PolarHBondContact O-N 3.46Å; C95-R99 VanDerWaalsContact O-CB 3.26Å; C95-R99 WeakPolarHBondContact O-CB 3.31Å; C95-R99 PolarHBondContact O-N 3.34Å; C95-K142 HydrophobicContact CB-CB 3.67Å; C95-K142 HydrophobicContact CB-CD 4.18Å; C95-K142 HydrophobicContact CB-CG 3.71Å
96D98.7Very high97.2Very high84 Ų8444.9 Ų44.945%0.44924%0.243SC..Hα-helixtrans-63.6-44.3-179.8-68-23.7000111.4A92 A93 R99 E100 K142A92-D96 PolarHBondContact O-N 2.91Å; A92-D96 VanDerWaalsContact O-N 3.13Å; A93-D96 PolarHBondContact O-N 3.26Å; D96-R99 PolarHBondContact O-N 3.38Å; D96-E100 WeakPolarHBondContact O-CB 3.36Å; D96-E100 PolarHBondContact O-N 2.78Å; D96-K142 IonicContact OD1-NZ 2.76Å; D96-K142 PolarHBondContact OD1-NZ 3.37Å; D96-K142 IonicContact OD2-NZ 2.74Å; D96-K142 PolarHBondContact OD2-NZ 3.42Å
97L98.7Very high97.6Very high11 Ų1138.4 Ų38.46%0.05822%0.215CC..Hα-helixtrans-63.9-46.1177.2-67.5175.3000112.1V49 P53 V56 R57 A93 R99 E100 V101V49-L97 HydrophobicContact CB-CD1 4.23Å; P53-L97 HydrophobicContact CB-CD1 4.02Å; P53-L97 HydrophobicContact CB-CD2 4.07Å; V56-L97 HydrophobicContact CB-CD1 4.05Å; V56-L97 HydrophobicContact CG1-CD1 4Å; R57-L97 HydrophobicContact CB-CD2 4.36Å; R57-L97 VanDerWaalsContact NH2-CD2 3.35Å; A93-L97 WeakPolarHBondContact O-CG 3.27Å; A93-L97 PolarHBondContact O-N 3.43Å; L97-R99 VanDerWaalsContact C-N 3.32Å; L97-R99 PolarHBondContact O-N 2.92Å; L97-E100 PolarHBondContact O-N 3.25Å; L97-V101 PolarHBondContact O-N 3.3Å; L97-V101 VanDerWaalsContact O-N 3.17Å
98A98.7Very high97.8Very high0 Ų037.5 Ų37.50%021%0.212CC..Hα-helixtrans-61.5-42.7177.400000111.1M71 T73 A94 C95 V101 A102 V109M71-A98 HydrophobicContact CB-CB 4.13Å; T73-A98 HydrophobicContact CG2-CB 4.23Å; A94-A98 WeakPolarHBondContact O-CB 3.29Å; A94-A98 PolarHBondContact O-N 3.4Å; C95-A98 PolarHBondContact O-N 3.46Å; A98-V101 PolarHBondContact O-N 3.08Å; A98-A102 WeakPolarHBondContact O-CB 3.29Å; A98-A102 PolarHBondContact O-N 3.46Å; A98-V109 HydrophobicContact CB-CG1 3.95Å; A98-V109 HydrophobicContact CB-CG2 4.46Å
99R98.7Very high98Very high77 Ų7733.1 Ų33.129%0.29119%0.191SC..Hα-helixtrans-65.8-42.4177.4-179.958.470.3-164.59.9112.7C95 D96 L97 V101 A102 G103 V109 N143 D145C95-R99 VanDerWaalsContact O-CB 3.26Å; C95-R99 WeakPolarHBondContact O-CB 3.31Å; C95-R99 PolarHBondContact O-N 3.34Å; D96-R99 PolarHBondContact O-N 3.38Å; L97-R99 VanDerWaalsContact C-N 3.32Å; L97-R99 PolarHBondContact O-N 2.92Å; R99-V101 VanDerWaalsContact C-N 3.29Å; R99-V101 PolarHBondContact O-N 3.41Å; R99-A102 PolarHBondContact O-N 3.5Å; R99-G103 PolarHBondContact O-N 2.69Å; R99-V109 HydrophobicContact CB-CG2 4.12Å; R99-N143 PolarHBondContact NH2-O 2.89Å; R99-D145 IonicContact CZ-OD1 3.52Å; R99-D145 IonicContact CZ-OD2 3.51Å; R99-D145 IonicContact NH1-OD1 2.66Å; R99-D145 PolarHBondContact NH1-OD1 3.24Å; R99-D145 IonicContact NH1-OD2 3.67Å; R99-D145 PolarHBondContact NH1-OD2 3.35Å; R99-D145 IonicContact NH2-OD1 2.81Å; R99-D145 PolarHBondContact NH2-OD1 3.31Å; R99-D145 IonicContact NH2-OD2 3.29Å; R99-D145 PolarHBondContact NH2-OD2 2.85Å
100E98.5Very high98.1Very high74 Ų7427.6 Ų27.635%0.34616%0.162SC..Hα-helixtrans-55.8-47176.5-169.3-154.4131.500110.8R57 D96 L97 K104R57-E100 VanDerWaalsContact CD-OE1 3.27Å; R57-E100 WeakPolarHBondContact CD-OE1 3.32Å; R57-E100 IonicContact CZ-OE2 3.46Å; R57-E100 VanDerWaalsContact NE-CD 3.34Å; R57-E100 IonicContact NE-OE1 3.37Å; R57-E100 PolarHBondContact NE-OE1 2.79Å; R57-E100 IonicContact NE-OE2 3.14Å; R57-E100 PolarHBondContact NE-OE2 3.24Å; R57-E100 IonicContact NH2-OE2 3.06Å; R57-E100 PolarHBondContact NH2-OE2 2.91Å; D96-E100 WeakPolarHBondContact O-CB 3.36Å; D96-E100 PolarHBondContact O-N 2.78Å; L97-E100 PolarHBondContact O-N 3.25Å; E100-K104 IonicContact OE1-NZ 3.35Å; E100-K104 PolarHBondContact OE1-NZ 2.99Å
101V98.7Very high98.2Very high0 Ų027.4 Ų27.40%016%0.16CC..Hα-helixtrans-74.7-44.2-178.9174.80000111.7R57 H60 M61 L64 M71 L97 A98 R99 G103 K104R57-V101 HydrophobicContact CG-CG2 3.76Å; H60-V101 HydrophobicContact CB-CB 3.87Å; H60-V101 HydrophobicContact CB-CG1 3.76Å; H60-V101 HydrophobicContact CB-CG2 3.77Å; M61-V101 HydrophobicContact CG-CG1 4.1Å; M61-V101 HydrophobicContact CG-CG2 3.89Å; M61-V101 HydrophobicContact SD-CB 4.17Å; M61-V101 HydrophobicContact SD-CG1 3.55Å; M61-V101 VanDerWaalsContact SD-CG1 3.55Å; M61-V101 HydrophobicContact SD-CG2 3.87Å; L64-V101 HydrophobicContact CB-CG1 4.06Å; L64-V101 HydrophobicContact CD2-CG1 3.76Å; L64-V101 VanDerWaalsContact CD2-O 3.31Å; L64-V101 WeakPolarHBondContact CD2-O 3.34Å; M71-V101 HydrophobicContact CG-CG1 4.46Å; M71-V101 HydrophobicContact SD-CG1 3.88Å; L97-V101 PolarHBondContact O-N 3.3Å; L97-V101 VanDerWaalsContact O-N 3.17Å; A98-V101 PolarHBondContact O-N 3.08Å; R99-V101 VanDerWaalsContact C-N 3.29Å; R99-V101 PolarHBondContact O-N 3.41Å; V101-G103 PolarHBondContact O-N 2.85Å; V101-G103 VanDerWaalsContact O-N 3.15Å; V101-K104 WeakPolarHBondContact O-CB 3.43Å; V101-K104 PolarHBondContact O-N 3.49Å
102A98.4Very high98.2Very high0 Ų027.5 Ų27.50%016%0.162CC..Hα-helixtrans-55.6-32.4175.900000112.7K10 M71 A98 R99 K104 G105 A107 V109K10-A102 PolarHBondContact NZ-O 2.89Å; M71-A102 HydrophobicContact CB-CB 4.44Å; M71-A102 HydrophobicContact CG-CB 3.94Å; A98-A102 WeakPolarHBondContact O-CB 3.29Å; A98-A102 PolarHBondContact O-N 3.46Å; R99-A102 PolarHBondContact O-N 3.5Å; A102-K104 VanDerWaalsContact C-N 3.26Å; A102-K104 PolarHBondContact O-N 2.66Å; A102-G105 PolarHBondContact O-N 3.4Å; A102-A107 WeakPolarHBondContact CB-O 3.48Å; A102-V109 HydrophobicContact CB-CG2 3.55Å
103G97.6Very high98.1Very high65 Ų6527.1 Ų27.167%0.6716%0.158SC*.THydrogen-bonded Turntrans-69.4-15.6174.900000115R99 V101R99-G103 PolarHBondContact O-N 2.69Å; V101-G103 PolarHBondContact O-N 2.85Å; V101-G103 VanDerWaalsContact O-N 3.15Å
104K97.9Very high97.9Very high112 Ų11226.6 Ų26.649%0.48715%0.153SC..THydrogen-bonded Turntrans-89.7-2.1179.4-63.7171.6-172.5171.20113.5M61 L64 E100 V101 A102M61-K104 HydrophobicContact CE-CD 4.28Å; M61-K104 HydrophobicContact SD-CD 3.59Å; M61-K104 VanDerWaalsContact SD-CD 3.59Å; L64-K104 HydrophobicContact CD2-CB 4.21Å; E100-K104 IonicContact OE1-NZ 3.35Å; E100-K104 PolarHBondContact OE1-NZ 2.99Å; V101-K104 WeakPolarHBondContact O-CB 3.43Å; V101-K104 PolarHBondContact O-N 3.49Å; A102-K104 VanDerWaalsContact C-N 3.26Å; A102-K104 PolarHBondContact O-N 2.66Å
105G96.3Very high97.8Very high32 Ų3228 Ų2833%0.3316%0.16SC..THydrogen-bonded Turntrans-161.8-164.4-179.500000113.6K10 A102 A107K10-G105 PolarHBondContact NZ-O 3.2Å; A102-G105 PolarHBondContact O-N 3.4Å; G105-A107 VanDerWaalsContact C-N 3.32Å; G105-A107 PolarHBondContact O-N 3.09Å
106D96.6Very high97.4Very high79 Ų7928.3 Ų28.342%0.42216%0.162SC..THydrogen-bonded Turntrans-90.258.6-178.2-16840.1000112.8R16 N69R16-D106 IonicContact CZ-OD1 3.27Å; R16-D106 IonicContact CZ-OD2 3.94Å; R16-D106 IonicContact NH1-OD1 2.68Å; R16-D106 IonicContact NH1-OD2 3.87Å; R16-D106 PolarHBondContact NH1-OD2 3.23Å; R16-D106 VanDerWaalsContact NH2-CG 3.31Å; R16-D106 IonicContact NH2-OD1 2.96Å; R16-D106 PolarHBondContact NH2-OD1 3.43Å; R16-D106 IonicContact NH2-OD2 3.59Å; R16-D106 PolarHBondContact NH2-OD2 3.11Å; N69-D106 PolarHBondContact ND2-O 3.38Å
107A98.2Very high96.9Very high0 Ų027 Ų270%016%0.159CC..  trans-129.6142.1179.800000115.2K10 L64 N69 M71 A102 G105K10-A107 VanDerWaalsContact CE-C 3.45Å; K10-A107 WeakPolarHBondContact CE-O 3.26Å; K10-A107 PolarHBondContact NZ-O 3.22Å; L64-A107 HydrophobicContact CD1-CB 3.58Å; N69-A107 CarbonylContact O-C 3.5Å; N69-A107 WeakPolarHBondContact O-CA 3.42Å; M71-A107 HydrophobicContact CE-CB 4.12Å; M71-A107 HydrophobicContact CG-CB 4.18Å; A102-A107 WeakPolarHBondContact CB-O 3.48Å; G105-A107 VanDerWaalsContact C-N 3.32Å; G105-A107 PolarHBondContact O-N 3.09Å
108L98.8Very high96.3Very high6 Ų627.2 Ų27.23%0.03116%0.16CC..EExtended strand (participates in β ladder)trans-89.3160.5173.4-61.1176.1000110.7K10 I13 N69 V70 M71 D145 F146K10-L108 HydrophobicContact CD-CD2 4.27Å; K10-L108 HydrophobicContact CG-CD2 4.38Å; I13-L108 HydrophobicContact CB-CD1 3.82Å; I13-L108 HydrophobicContact CD1-CD1 4.46Å; N69-L108 PolarHBondContact O-N 3Å; V70-L108 CarbonylContact C-O 3.44Å; V70-L108 WeakPolarHBondContact CA-O 3.43Å; M71-L108 PolarHBondContact N-O 3.49Å; L108-D145 VanDerWaalsContact CA-OD2 3.28Å; L108-D145 WeakPolarHBondContact CA-OD2 3.32Å; L108-D145 HydrophobicContact CB-CB 3.97Å; L108-D145 HydrophobicContact CD2-CB 4.01Å; L108-D145 HydrophobicContact CG-CB 4.42Å; L108-F146 HydrophobicContact CB-CD1 4.29Å; L108-F146 HydrophobicContact CB-CE1 4.05Å; L108-F146 HydrophobicContact CD1-CD1 4.47Å
109V98.8Very high95.9Very high1 Ų127.3 Ų27.31%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-99.3127.9170.5-178.50000109.2M71 T73 A98 R99 A102 V144 D145 F146M71-V109 WeakPolarHBondContact O-CA 3.44Å; T73-V109 HydrophobicContact CG2-CG1 3.87Å; A98-V109 HydrophobicContact CB-CG1 3.95Å; A98-V109 HydrophobicContact CB-CG2 4.46Å; R99-V109 HydrophobicContact CB-CG2 4.12Å; A102-V109 HydrophobicContact CB-CG2 3.55Å; V109-V144 HydrophobicContact CB-CB 4.46Å; V109-V144 HydrophobicContact CG1-CB 4.06Å; V109-V144 HydrophobicContact CG1-CG1 3.78Å; V109-D145 PolarHBondContact N-OD2 3.09Å; V109-D145 WeakPolarHBondContact O-CB 3.19Å; V109-D145 PolarHBondContact O-N 3.02Å; V109-F146 PolarHBondContact O-N 2.87Å
110A98.8Very high95.1Very high0 Ų029.3 Ų29.30%017%0.171CC..EExtended strand (participates in β ladder)trans-111.6121.8176.200000111V70 M71 T73 F146 I148V70-A110 HydrophobicContact CG1-CB 3.64Å; M71-A110 PolarHBondContact O-N 3.48Å; M71-A110 VanDerWaalsContact O-N 3.09Å; T73-A110 WeakPolarHBondContact CG2-O 3.47Å; T73-A110 PolarHBondContact N-O 3.43Å; T73-A110 PolarHBondContact OG1-O 3.08Å; A110-F146 WeakPolarHBondContact CA-O 3.29Å; A110-F146 HydrophobicContact CB-CD1 4.15Å; A110-F146 HydrophobicContact CB-CD2 4.4Å; A110-F146 HydrophobicContact CB-CE1 3.63Å; A110-F146 HydrophobicContact CB-CE2 3.91Å; A110-F146 HydrophobicContact CB-CZ 3.51Å; A110-I148 HydrophobicContact CB-CD1 3.48Å; A110-I148 VanDerWaalsContact CB-CD1 3.48Å; A110-I148 HydrophobicContact CB-CG1 3.9Å
111G98.4Very high94.2Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-78.9116.7170.400000110.4F146 L147 I148G111-F146 PolarHBondContact N-O 3.31Å; G111-L147 CarbonylContact O-C 3.56Å; G111-L147 WeakPolarHBondContact O-CA 3.39Å; G111-I148 PolarHBondContact O-N 2.94Å
112G96.8Very high93.1Very high3 Ų340.7 Ų40.73%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-101.9130.9-176.400000113.4T73 T75 F139 I148T73-G112 PolarHBondContact OG1-N 2.93Å; T75-G112 PolarHBondContact OG1-O 3.28Å; T75-G112 VanDerWaalsContact OG1-O 3.09Å; G112-F139 WeakPolarHBondContact O-CZ 3.36Å; G112-I148 CarbonylContact C-O 3.5Å; G112-I148 WeakPolarHBondContact CA-O 3.47Å
113I96.2Very high92.3Very high2 Ų245.3 Ų45.31%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-116.2155.9163.263173.1000110.4F132 Q135 F139 I148 A149 E150 A161 L165I113-F132 HydrophobicContact CB-CD1 4.49Å; I113-F132 HydrophobicContact CD1-CB 4.08Å; I113-F132 HydrophobicContact CD1-CD1 3.75Å; I113-F132 HydrophobicContact CD1-CE1 4.34Å; I113-F132 HydrophobicContact CD1-CG 3.9Å; I113-Q135 HydrophobicContact CG2-CB 3.87Å; I113-F139 HydrophobicContact CG2-CE2 3.71Å; I113-F139 HydrophobicContact CG2-CZ 4.48Å; I113-I148 PolarHBondContact N-O 3.19Å; I113-A149 HydrophobicContact CD1-CB 4.42Å; I113-A149 HydrophobicContact CG1-CB 4.11Å; I113-E150 PolarHBondContact O-N 2.85Å; I113-A161 HydrophobicContact CD1-CB 3.76Å; I113-L165 HydrophobicContact CD1-CD1 3.77Å; I113-L165 HydrophobicContact CD1-CD2 3.75Å; I113-L165 HydrophobicContact CD1-CG 3.76Å; I113-L165 HydrophobicContact CG1-CD1 4.04Å; I113-L165 HydrophobicContact CG1-CD2 4.31Å; I113-L165 HydrophobicContact CG1-CG 4.47Å
114C95.1Very high92Very high10 Ų1045.5 Ų45.57%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-130171.8176.764.60000112.4F76 F132 E150F76-C114 HydrophobicContact CD2-CB 3.96Å; F76-C114 HydrophobicContact CE2-CB 3.78Å; C114-F132 WeakPolarHBondContact O-CE1 3.33Å; C114-E150 WeakPolarHBondContact CA-O 3.17Å; C114-E150 WeakPolarHBondContact CB-O 3.35Å
115Q94.7Very high91.9Very high31 Ų3144 Ų4415%0.14522%0.218CC..  trans-53.8146.5173.672.6-179.438.100111.9Y151 F152 E153 E157Q115-Y151 WeakPolarHBondContact CB-O 3.45Å; Q115-Y151 HydrophobicContact CG-CD1 4.09Å; Q115-Y151 WeakPolarHBondContact CG-O 3.44Å; Q115-Y151 PolarHBondContact OE1-O 3.07Å; Q115-Y151 VanDerWaalsContact OE1-O 3.09Å; Q115-F152 HydrophobicContact CB-CD1 3.69Å; Q115-F152 HydrophobicContact CB-CE1 3.92Å; Q115-F152 HydrophobicContact CB-CG 4.26Å; Q115-E153 PolarHBondContact NE2-OE2 2.71Å; Q115-E153 PolarHBondContact OE1-OE2 2.89Å; Q115-E157 WeakPolarHBondContact CB-OE2 3.37Å
116T91.9Very high91.8Very high8 Ų847.9 Ų47.95%0.04924%0.236CC..  trans-86.4152.6-179.364.70000111.3I118 Y119 I128 L131 F132 E157T116-I118 PolarHBondContact O-N 3.35Å; T116-I118 WeakPolarHBondContact OG1-CG1 3.37Å; T116-Y119 PolarHBondContact OG1-N 3Å; T116-I128 HydrophobicContact CG2-CG2 4.07Å; T116-L131 HydrophobicContact CG2-CB 4.44Å; T116-L131 HydrophobicContact CG2-CD1 3.98Å; T116-F132 HydrophobicContact CG2-CD1 4.36Å; T116-F132 HydrophobicContact CG2-CE1 3.55Å; T116-F132 HydrophobicContact CG2-CZ 3.83Å; T116-E157 WeakPolarHBondContact CB-OE1 3.39Å; T116-E157 PolarHBondContact N-OE1 2.87Å; T116-E157 PolarHBondContact OG1-OE1 2.84Å
117S86.7Confident91.7Very high57 Ų5750.1 Ų50.140%0.39924%0.238SC..THydrogen-bonded Turntrans-65.4-23.917470.10000112.3D81 Y121D81-S117 PolarHBondContact OD2-OG 3.13Å; S117-Y121 VanDerWaalsContact O-CD2 3.31Å; S117-Y121 WeakPolarHBondContact O-CD2 3.47Å; S117-Y121 VanDerWaalsContact O-CE2 3.32Å; S117-Y121 WeakPolarHBondContact O-CE2 3.49Å
118I87.4Confident91.6Very high14 Ų1450.1 Ų50.17%0.07224%0.238CC..THydrogen-bonded Turntrans-87.2-18.1-170.262.5168.5000114.4T116 K120 Y121 H122 R127 I128 L131T116-I118 PolarHBondContact O-N 3.35Å; T116-I118 WeakPolarHBondContact OG1-CG1 3.37Å; I118-K120 VanDerWaalsContact C-N 3.31Å; I118-K120 PolarHBondContact O-N 2.95Å; I118-Y121 PolarHBondContact O-N 3.05Å; I118-Y121 VanDerWaalsContact O-N 3.13Å; I118-H122 PolarHBondContact O-N 3.07Å; I118-H122 VanDerWaalsContact O-N 3.1Å; I118-R127 HydrophobicContact CD1-CB 4.35Å; I118-R127 HydrophobicContact CD1-CG 3.73Å; I118-I128 HydrophobicContact CD1-CD1 4.5Å; I118-I128 HydrophobicContact CD1-CG1 3.58Å; I118-I128 HydrophobicContact CG1-CD1 4.25Å; I118-I128 HydrophobicContact CG1-CG1 3.68Å; I118-L131 HydrophobicContact CD1-CD1 3.66Å; I118-L131 HydrophobicContact CG1-CD1 4.24Å
119Y90.1Very high91.5Very high2 Ų251.5 Ų51.51%0.00824%0.244CC..Hα-helixtrans-57.6-44.2-178.4178.3-91.9000112.2T116 Y121 K123 I128 H154 E156 E157 W160 H185T116-Y119 PolarHBondContact OG1-N 3Å; Y119-Y121 PolarHBondContact O-N 2.71Å; Y119-Y121 VanDerWaalsContact O-N 3.15Å; Y119-K123 HydrophobicContact CD2-CG 4.48Å; Y119-K123 HydrophobicContact CE2-CG 4.15Å; Y119-K123 WeakPolarHBondContact O-CG 3.45Å; Y119-K123 PolarHBondContact O-N 2.93Å; Y119-I128 HydrophobicContact CD2-CD1 3.84Å; Y119-I128 HydrophobicContact CG-CD1 4.36Å; Y119-H154 AromaticContact CD1-CE1 3.97Å; Y119-H154 AromaticContact CD1-ND1 3.59Å; Y119-H154 HydrophobicContact CE1-CB 3.71Å; Y119-H154 AromaticContact CE1-CD2 3.75Å; Y119-H154 AromaticContact CE1-CE1 3.8Å; Y119-H154 AromaticContact CE1-CG 3.34Å; Y119-H154 AromaticContact CE1-ND1 3.38Å; Y119-H154 WeakPolarHBondContact CE1-ND1 3.27Å; Y119-H154 AromaticContact CE1-NE2 4Å; Y119-E156 HydrophobicContact CE2-CG 4.37Å; Y119-E156 PolarHBondContact OH-OE2 3.37Å; Y119-E157 VanDerWaalsContact CB-CD 3.42Å; Y119-E157 WeakPolarHBondContact CB-OE1 3.06Å; Y119-E157 VanDerWaalsContact CB-OE2 3.31Å; Y119-E157 WeakPolarHBondContact CB-OE2 3.17Å; Y119-E157 HydrophobicContact CD2-CB 3.64Å; Y119-E157 HydrophobicContact CD2-CG 3.65Å; Y119-E157 HydrophobicContact CE2-CB 3.74Å; Y119-E157 HydrophobicContact CE2-CG 4.25Å; Y119-E157 HydrophobicContact CG-CB 4.1Å; Y119-E157 HydrophobicContact CG-CG 4.04Å; Y119-W160 HydrophobicContact CD2-CE3 4.38Å; Y119-W160 HydrophobicContact CD2-CH2 4.32Å; Y119-W160 AromaticContact CD2-CZ3 3.65Å; Y119-W160 HydrophobicContact CD2-CZ3 3.65Å; Y119-W160 HydrophobicContact CE2-CE3 4.36Å; Y119-W160 AromaticContact CE2-CH2 3.85Å; Y119-W160 HydrophobicContact CE2-CH2 3.85Å; Y119-W160 AromaticContact CE2-CZ3 3.58Å; Y119-W160 HydrophobicContact CE2-CZ3 3.58Å; Y119-H185 PolarHBondContact OH-CE1 3.33Å; Y119-H185 VanDerWaalsContact OH-CE1 3.29Å
120K80.8Confident91.4Very high120 Ų12056.9 Ų56.952%0.52227%0.267SS..Hα-helixtrans-60.7-24.4179.9-67.8-169.8177.2-173.20113.6I118 E153I118-K120 VanDerWaalsContact C-N 3.31Å; I118-K120 PolarHBondContact O-N 2.95Å; K120-E153 WeakPolarHBondContact CE-OE2 3.35Å; K120-E153 IonicContact NZ-OE1 2.8Å; K120-E153 PolarHBondContact NZ-OE1 3.01Å; K120-E153 VanDerWaalsContact NZ-OE1 3.12Å; K120-E153 IonicContact NZ-OE2 3.63Å; K120-E153 PolarHBondContact NZ-OE2 2.89Å
121Y80.5Confident91.2Very high178 Ų17857.2 Ų57.270%0.69827%0.269SS*.Hα-helixtrans-101.1-38.1-174.3-58.1-71000113.8S117 I118 Y119S117-Y121 VanDerWaalsContact O-CD2 3.31Å; S117-Y121 WeakPolarHBondContact O-CD2 3.47Å; S117-Y121 VanDerWaalsContact O-CE2 3.32Å; S117-Y121 WeakPolarHBondContact O-CE2 3.49Å; I118-Y121 PolarHBondContact O-N 3.05Å; I118-Y121 VanDerWaalsContact O-N 3.13Å; Y119-Y121 PolarHBondContact O-N 2.71Å; Y119-Y121 VanDerWaalsContact O-N 3.15Å
122H74.4Confident91.2Very high134 Ų13457.3 Ų57.362%0.6227%0.269SS*.Hα-helixtrans-130.5-11.2-164.9-62.6-56.1000115.3I118 D124I118-H122 PolarHBondContact O-N 3.07Å; I118-H122 VanDerWaalsContact O-N 3.1Å; H122-D124 HydrophobicContact CB-CB 4.33Å; H122-D124 PolarHBondContact O-N 3.42Å
123K82.1Confident91.2Very high98 Ų9860.9 Ų60.943%0.42628%0.282SS..  trans3635.8-174.5-66-166.6175.3-161.70113.4Y119 E125 E156 H185Y119-K123 HydrophobicContact CD2-CG 4.48Å; Y119-K123 HydrophobicContact CE2-CG 4.15Å; Y119-K123 WeakPolarHBondContact O-CG 3.45Å; Y119-K123 PolarHBondContact O-N 2.93Å; K123-E125 PolarHBondContact O-N 3.05Å; K123-E156 IonicContact NZ-OE2 2.61Å; K123-E156 PolarHBondContact NZ-OE2 3.37Å; K123-H185 PolarHBondContact NZ-CE1 3.02Å; K123-H185 VanDerWaalsContact NZ-CE1 3.26Å; K123-H185 PolarHBondContact NZ-NE2 3Å
124D91.4Very high91.2Very high69 Ų6962 Ų6237%0.36929%0.287SS..  trans-82.887.4-174.9-179.6-13.4000107.7H122 T126 R127 I128H122-D124 HydrophobicContact CB-CB 4.33Å; H122-D124 PolarHBondContact O-N 3.42Å; D124-T126 PolarHBondContact O-N 3.26Å; D124-T126 PolarHBondContact OD1-N 3.28Å; D124-R127 HydrophobicContact CB-CB 4.03Å; D124-R127 VanDerWaalsContact CG-CB 3.43Å; D124-R127 PolarHBondContact O-N 3.07Å; D124-R127 VanDerWaalsContact O-N 3.15Å; D124-R127 PolarHBondContact OD1-N 3.06Å; D124-R127 WeakPolarHBondContact OD2-CB 3.22Å; D124-I128 WeakPolarHBondContact O-CB 3.32Å; D124-I128 VanDerWaalsContact O-CG1 3.32Å; D124-I128 WeakPolarHBondContact O-CG1 3.47Å; D124-I128 PolarHBondContact O-N 3.15Å
125E95.1Very high91.3Very high80 Ų8061.9 Ų61.937%0.37429%0.285SS..Hα-helixtrans-51.1-41.6-177.9179.8178.1166.900111.9K123 I128 K129 W160K123-E125 PolarHBondContact O-N 3.05Å; E125-I128 PolarHBondContact O-N 3.15Å; E125-K129 HydrophobicContact CG-CD 3.93Å; E125-K129 HydrophobicContact CG-CG 4.29Å; E125-K129 VanDerWaalsContact O-CB 3.29Å; E125-K129 WeakPolarHBondContact O-CB 3.37Å; E125-K129 WeakPolarHBondContact O-CG 3.23Å; E125-K129 PolarHBondContact O-N 3.26Å; E125-K129 WeakPolarHBondContact OE1-CE 3.23Å; E125-K129 IonicContact OE1-NZ 2.7Å; E125-K129 PolarHBondContact OE1-NZ 3.2Å; E125-W160 HydrophobicContact CB-CD2 4.26Å; E125-W160 HydrophobicContact CB-CE3 4.31Å; E125-W160 HydrophobicContact CB-CH2 3.8Å; E125-W160 HydrophobicContact CB-CZ2 3.74Å; E125-W160 HydrophobicContact CB-CZ3 4.08Å; E125-W160 HydrophobicContact CG-CD2 3.77Å; E125-W160 HydrophobicContact CG-CE3 4.23Å; E125-W160 HydrophobicContact CG-CG 4.13Å; E125-W160 HydrophobicContact CG-CH2 4.34Å; E125-W160 HydrophobicContact CG-CZ2 3.9Å; E125-W160 HydrophobicContact CG-CZ3 4.48Å
126T95.7Very high91.4Very high114 Ų11460.9 Ų60.970%0.69928%0.281SS*.Hα-helixtrans-65.3-46.5-177.5-61.90000110.6D124 K130D124-T126 PolarHBondContact O-N 3.26Å; D124-T126 PolarHBondContact OD1-N 3.28Å; T126-K130 WeakPolarHBondContact O-CB 3.37Å; T126-K130 PolarHBondContact O-N 3.03Å; T126-K130 VanDerWaalsContact O-N 3.07Å
127R94.2Very high91.7Very high125 Ų12566 Ų6647%0.47230%0.304SS..Hα-helixtrans-66.7-41.3178.3-175.4176.8174.4-175.6-3112I118 D124 K130 L131I118-R127 HydrophobicContact CD1-CB 4.35Å; I118-R127 HydrophobicContact CD1-CG 3.73Å; D124-R127 HydrophobicContact CB-CB 4.03Å; D124-R127 VanDerWaalsContact CG-CB 3.43Å; D124-R127 PolarHBondContact O-N 3.07Å; D124-R127 VanDerWaalsContact O-N 3.15Å; D124-R127 PolarHBondContact OD1-N 3.06Å; D124-R127 WeakPolarHBondContact OD2-CB 3.22Å; R127-K130 WeakPolarHBondContact O-CB 3.41Å; R127-K130 PolarHBondContact O-N 3.22Å; R127-L131 PolarHBondContact O-N 3.05Å; R127-L131 VanDerWaalsContact O-N 3.15Å
128I95.4Very high92.3Very high0 Ų063.3 Ų63.30%029%0.286CS..Hα-helixtrans-66.4-47.6-179.7-70.5166.1000110.8T116 I118 Y119 D124 E125 K130 L131 F132 E157 W160T116-I128 HydrophobicContact CG2-CG2 4.07Å; I118-I128 HydrophobicContact CD1-CD1 4.5Å; I118-I128 HydrophobicContact CD1-CG1 3.58Å; I118-I128 HydrophobicContact CG1-CD1 4.25Å; I118-I128 HydrophobicContact CG1-CG1 3.68Å; Y119-I128 HydrophobicContact CD2-CD1 3.84Å; Y119-I128 HydrophobicContact CG-CD1 4.36Å; D124-I128 WeakPolarHBondContact O-CB 3.32Å; D124-I128 VanDerWaalsContact O-CG1 3.32Å; D124-I128 WeakPolarHBondContact O-CG1 3.47Å; D124-I128 PolarHBondContact O-N 3.15Å; E125-I128 PolarHBondContact O-N 3.15Å; I128-K130 PolarHBondContact O-N 3.4Å; I128-L131 WeakPolarHBondContact O-CB 3.4Å; I128-L131 PolarHBondContact O-N 2.96Å; I128-F132 HydrophobicContact CG2-CD2 4.04Å; I128-F132 HydrophobicContact CG2-CE1 4.49Å; I128-F132 HydrophobicContact CG2-CE2 3.35Å; I128-F132 HydrophobicContact CG2-CZ 3.6Å; I128-F132 PolarHBondContact O-N 3.01Å; I128-F132 VanDerWaalsContact O-N 3.09Å; I128-E157 HydrophobicContact CG2-CG 4.09Å; I128-W160 HydrophobicContact CB-CE3 4.43Å; I128-W160 HydrophobicContact CD1-CE3 4.39Å; I128-W160 HydrophobicContact CD1-CZ3 3.85Å; I128-W160 HydrophobicContact CG2-CE3 4.09Å
129K97.1Very high92.8Very high36 Ų3662.6 Ų62.616%0.15728%0.282CS..Hα-helixtrans-60.5-32.6174.6-74.7-174.6169.21730112.4E125 R133 W160 E163 V164E125-K129 HydrophobicContact CG-CD 3.93Å; E125-K129 HydrophobicContact CG-CG 4.29Å; E125-K129 VanDerWaalsContact O-CB 3.29Å; E125-K129 WeakPolarHBondContact O-CB 3.37Å; E125-K129 WeakPolarHBondContact O-CG 3.23Å; E125-K129 PolarHBondContact O-N 3.26Å; E125-K129 WeakPolarHBondContact OE1-CE 3.23Å; E125-K129 IonicContact OE1-NZ 2.7Å; E125-K129 PolarHBondContact OE1-NZ 3.2Å; K129-R133 WeakPolarHBondContact O-CB 3.2Å; K129-R133 PolarHBondContact O-N 3.48Å; K129-R133 PolarHBondContact O-NH1 2.93Å; K129-W160 HydrophobicContact CD-CB 4.44Å; K129-W160 HydrophobicContact CG-CB 4.02Å; K129-E163 VanDerWaalsContact CE-OE2 3.29Å; K129-E163 WeakPolarHBondContact CE-OE2 3.39Å; K129-E163 IonicContact NZ-OE2 3.46Å; K129-E163 PolarHBondContact NZ-OE2 3.45Å; K129-V164 HydrophobicContact CB-CG2 3.69Å; K129-V164 HydrophobicContact CD-CG2 4.07Å; K129-V164 HydrophobicContact CG-CG2 3.64Å
130K96.3Very high93.1Very high113 Ų11364.7 Ų64.749%0.49130%0.3SS..Hα-helixtrans-62.1-45.3172.6-176.3-168.7170.5-160.10111.6T126 R127 I128 R133 Q134T126-K130 WeakPolarHBondContact O-CB 3.37Å; T126-K130 PolarHBondContact O-N 3.03Å; T126-K130 VanDerWaalsContact O-N 3.07Å; R127-K130 WeakPolarHBondContact O-CB 3.41Å; R127-K130 PolarHBondContact O-N 3.22Å; I128-K130 PolarHBondContact O-N 3.4Å; K130-R133 PolarHBondContact O-N 2.8Å; K130-Q134 WeakPolarHBondContact O-CG 3.32Å; K130-Q134 PolarHBondContact O-N 3.35Å
131L95.2Very high93.9Very high8 Ų866.2 Ų66.24%0.04230%0.302CS..Hα-helixtrans-61.8-43.7178-65.7174.6000111.7E80 T116 I118 R127 I128 R133 Q134 Q135E80-L131 HydrophobicContact CB-CD2 4.06Å; T116-L131 HydrophobicContact CG2-CB 4.44Å; T116-L131 HydrophobicContact CG2-CD1 3.98Å; I118-L131 HydrophobicContact CD1-CD1 3.66Å; I118-L131 HydrophobicContact CG1-CD1 4.24Å; R127-L131 PolarHBondContact O-N 3.05Å; R127-L131 VanDerWaalsContact O-N 3.15Å; I128-L131 WeakPolarHBondContact O-CB 3.4Å; I128-L131 PolarHBondContact O-N 2.96Å; L131-R133 VanDerWaalsContact C-N 3.32Å; L131-R133 PolarHBondContact O-N 3.38Å; L131-Q134 PolarHBondContact O-N 3.18Å; L131-Q135 PolarHBondContact O-N 3.46Å
132F97.3Very high94.8Very high1 Ų159.6 Ų59.60%0.00428%0.277CS..Hα-helixtrans-62.2-40.2175-61.6-32.3000112.4I113 C114 T116 I128 Q134 Q135 L136 F152 E157 A161 V164I113-F132 HydrophobicContact CB-CD1 4.49Å; I113-F132 HydrophobicContact CD1-CB 4.08Å; I113-F132 HydrophobicContact CD1-CD1 3.75Å; I113-F132 HydrophobicContact CD1-CE1 4.34Å; I113-F132 HydrophobicContact CD1-CG 3.9Å; C114-F132 WeakPolarHBondContact O-CE1 3.33Å; T116-F132 HydrophobicContact CG2-CD1 4.36Å; T116-F132 HydrophobicContact CG2-CE1 3.55Å; T116-F132 HydrophobicContact CG2-CZ 3.83Å; I128-F132 HydrophobicContact CG2-CD2 4.04Å; I128-F132 HydrophobicContact CG2-CE1 4.49Å; I128-F132 HydrophobicContact CG2-CE2 3.35Å; I128-F132 HydrophobicContact CG2-CZ 3.6Å; I128-F132 PolarHBondContact O-N 3.01Å; I128-F132 VanDerWaalsContact O-N 3.09Å; F132-Q134 PolarHBondContact O-N 3.2Å; F132-Q135 PolarHBondContact O-N 2.94Å; F132-L136 WeakPolarHBondContact O-CB 3.22Å; F132-L136 PolarHBondContact O-N 2.95Å; F132-F152 HydrophobicContact CE1-CE1 4.49Å; F132-F152 HydrophobicContact CE1-CZ 4.26Å; F132-F152 AromaticContact CZ-CE1 3.85Å; F132-F152 HydrophobicContact CZ-CE1 3.85Å; F132-F152 AromaticContact CZ-CZ 3.98Å; F132-F152 HydrophobicContact CZ-CZ 3.98Å; F132-E157 HydrophobicContact CE2-CG 4.37Å; F132-E157 HydrophobicContact CZ-CG 4.11Å; F132-A161 HydrophobicContact CD2-CB 3.95Å; F132-A161 HydrophobicContact CE2-CB 3.7Å; F132-A161 HydrophobicContact CZ-CB 4.08Å; F132-V164 HydrophobicContact CB-CB 4.17Å; F132-V164 HydrophobicContact CB-CG1 3.86Å; F132-V164 HydrophobicContact CB-CG2 4.44Å
133R97.6Very high95.9Very high79 Ų7958.3 Ų58.330%0.29828%0.275SS..Hα-helixtrans-66.4-37.5-179.6-168.1175.3-6697.2-0.9112.2K129 K130 L131 Q135 L136 E137 V164 E167K129-R133 WeakPolarHBondContact O-CB 3.2Å; K129-R133 PolarHBondContact O-N 3.48Å; K129-R133 PolarHBondContact O-NH1 2.93Å; K130-R133 PolarHBondContact O-N 2.8Å; L131-R133 VanDerWaalsContact C-N 3.32Å; L131-R133 PolarHBondContact O-N 3.38Å; R133-Q135 PolarHBondContact O-N 3.12Å; R133-L136 WeakPolarHBondContact O-CB 3.27Å; R133-L136 PolarHBondContact O-N 2.87Å; R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 3.38Å; R133-V164 HydrophobicContact CB-CG1 3.95Å; R133-E167 IonicContact CZ-OE1 2.85Å; R133-E167 IonicContact CZ-OE2 2.7Å; R133-E167 IonicContact NE-OE1 3.64Å; R133-E167 IonicContact NE-OE2 3.3Å; R133-E167 PolarHBondContact NE-OE2 3.36Å; R133-E167 IonicContact NH2-OE1 3.16Å; R133-E167 PolarHBondContact NH2-OE1 2.98Å; R133-E167 IonicContact NH2-OE2 2.73Å; R133-E167 PolarHBondContact NH2-OE2 2.96Å
134Q96.6Very high96.7Very high26 Ų2653.8 Ų53.812%0.12126%0.255CS..Hα-helixtrans-57.2-46.9174.2-78.4169.9-34.800111.9E80 W87 K130 L131 F132 E137 V138E80-Q134 PolarHBondContact OE2-NE2 2.94Å; E80-Q134 PolarHBondContact OE2-OE1 3.12Å; W87-Q134 HydrophobicContact CH2-CB 3.59Å; W87-Q134 HydrophobicContact CH2-CG 4.32Å; W87-Q134 WeakPolarHBondContact CH2-O 3.44Å; W87-Q134 HydrophobicContact CZ2-CB 3.91Å; W87-Q134 HydrophobicContact CZ2-CG 4.2Å; W87-Q134 HydrophobicContact CZ3-CB 4.09Å; W87-Q134 WeakPolarHBondContact CZ3-O 3.37Å; K130-Q134 WeakPolarHBondContact O-CG 3.32Å; K130-Q134 PolarHBondContact O-N 3.35Å; L131-Q134 PolarHBondContact O-N 3.18Å; F132-Q134 PolarHBondContact O-N 3.2Å; Q134-E137 PolarHBondContact O-N 2.84Å; Q134-V138 PolarHBondContact O-N 3.36Å
135Q96.6Very high97Very high6 Ų653 Ų533%0.02825%0.251CS..Hα-helixtrans-68.8-39175.9-66.2-171.9-89.700112.1W87 N91 I113 L131 F132 R133 E137 V138 F139W87-Q135 HydrophobicContact CZ3-CG 4.49Å; N91-Q135 PolarHBondContact OD1-NE2 3.25Å; I113-Q135 HydrophobicContact CG2-CB 3.87Å; L131-Q135 PolarHBondContact O-N 3.46Å; F132-Q135 PolarHBondContact O-N 2.94Å; R133-Q135 PolarHBondContact O-N 3.12Å; Q135-E137 VanDerWaalsContact C-N 3.3Å; Q135-E137 PolarHBondContact O-N 2.81Å; Q135-V138 WeakPolarHBondContact O-CB 3.43Å; Q135-V138 PolarHBondContact O-N 2.88Å; Q135-V138 VanDerWaalsContact O-N 3.12Å; Q135-F139 HydrophobicContact CB-CE2 3.87Å; Q135-F139 HydrophobicContact CB-CZ 4.2Å; Q135-F139 WeakPolarHBondContact O-CD2 3.29Å; Q135-F139 VanDerWaalsContact O-CG 3.3Å; Q135-F139 WeakPolarHBondContact O-CG 3.35Å; Q135-F139 PolarHBondContact O-N 3.18Å
136L97.9Very high97.2Very high11 Ų1149.1 Ų49.16%0.05823%0.233CC..Hα-helixtrans-58.2-41.5176177.962000112.3F132 R133 V138 F139 A140 L147 V164 L165 E167F132-L136 WeakPolarHBondContact O-CB 3.22Å; F132-L136 PolarHBondContact O-N 2.95Å; R133-L136 WeakPolarHBondContact O-CB 3.27Å; R133-L136 PolarHBondContact O-N 2.87Å; L136-V138 VanDerWaalsContact C-N 3.31Å; L136-V138 PolarHBondContact O-N 2.96Å; L136-F139 PolarHBondContact O-N 2.79Å; L136-A140 WeakPolarHBondContact O-CB 3.38Å; L136-A140 PolarHBondContact O-N 3.4Å; L136-L147 HydrophobicContact CD1-CD1 3.54Å; L136-L147 HydrophobicContact CD1-CD2 4.11Å; L136-L147 HydrophobicContact CD1-CG 4.48Å; L136-V164 HydrophobicContact CD2-CG1 4.12Å; L136-V164 WeakPolarHBondContact CD2-O 3.29Å; L136-L165 HydrophobicContact CB-CD2 4.43Å; L136-L165 HydrophobicContact CD1-CD2 3.97Å; L136-E167 HydrophobicContact CD2-CB 4.35Å
137E97.9Very high97.3Very high114 Ų11443.7 Ų43.753%0.53320%0.2SC..Hα-helixtrans-55.8-48.6175.1-75.5171-166.300109.9R133 Q134 Q135 F139 A140 W141R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 3.38Å; Q134-E137 PolarHBondContact O-N 2.84Å; Q135-E137 VanDerWaalsContact C-N 3.3Å; Q135-E137 PolarHBondContact O-N 2.81Å; E137-F139 PolarHBondContact O-N 3.06Å; E137-A140 WeakPolarHBondContact O-CB 3.34Å; E137-A140 PolarHBondContact O-N 2.88Å; E137-A140 VanDerWaalsContact O-N 3.11Å; E137-W141 PolarHBondContact O-N 3.03Å; E137-W141 VanDerWaalsContact O-N 3.11Å
138V98.1Very high97.6Very high1 Ų137.8 Ų37.81%0.00618%0.177CC..Hα-helixtrans-55.9-50.2175.7-176.40000112.4W87 E88 N91 A92 Q134 Q135 L136 A140 W141 K142W87-V138 HydrophobicContact CH2-CG2 3.97Å; W87-V138 HydrophobicContact CZ3-CG2 3.62Å; E88-V138 HydrophobicContact CG-CG2 4.02Å; N91-V138 HydrophobicContact CB-CB 4.23Å; N91-V138 HydrophobicContact CB-CG1 3.73Å; N91-V138 HydrophobicContact CB-CG2 4.38Å; A92-V138 HydrophobicContact CB-CG1 4.34Å; Q134-V138 PolarHBondContact O-N 3.36Å; Q135-V138 WeakPolarHBondContact O-CB 3.43Å; Q135-V138 PolarHBondContact O-N 2.88Å; Q135-V138 VanDerWaalsContact O-N 3.12Å; L136-V138 VanDerWaalsContact C-N 3.31Å; L136-V138 PolarHBondContact O-N 2.96Å; V138-A140 VanDerWaalsContact C-N 3.27Å; V138-A140 PolarHBondContact O-N 3.48Å; V138-W141 VanDerWaalsContact CA-NE1 3.32Å; V138-W141 HydrophobicContact CG1-CZ2 4.46Å; V138-W141 PolarHBondContact O-N 3.03Å; V138-K142 HydrophobicContact CG1-CG 4.15Å; V138-K142 VanDerWaalsContact O-CB 3.27Å; V138-K142 WeakPolarHBondContact O-CB 3.44Å; V138-K142 VanDerWaalsContact O-CG 3.3Å; V138-K142 WeakPolarHBondContact O-CG 3.42Å; V138-K142 PolarHBondContact O-N 3.22Å
139F98.4Very high97.7Very high0 Ų037.8 Ų37.80%018%0.177CC..Hα-helixtrans-60-39.5178-59.6-33.7000112T75 G112 I113 Q135 L136 E137 N143 V144 L147 R170T75-F139 HydrophobicContact CG2-CE1 4.24Å; G112-F139 WeakPolarHBondContact O-CZ 3.36Å; I113-F139 HydrophobicContact CG2-CE2 3.71Å; I113-F139 HydrophobicContact CG2-CZ 4.48Å; Q135-F139 HydrophobicContact CB-CE2 3.87Å; Q135-F139 HydrophobicContact CB-CZ 4.2Å; Q135-F139 WeakPolarHBondContact O-CD2 3.29Å; Q135-F139 VanDerWaalsContact O-CG 3.3Å; Q135-F139 WeakPolarHBondContact O-CG 3.35Å; Q135-F139 PolarHBondContact O-N 3.18Å; L136-F139 PolarHBondContact O-N 2.79Å; E137-F139 PolarHBondContact O-N 3.06Å; F139-N143 PolarHBondContact O-N 2.76Å; F139-N143 VanDerWaalsContact O-N 3.11Å; F139-V144 HydrophobicContact CB-CG1 4.37Å; F139-V144 HydrophobicContact CB-CG2 3.88Å; F139-V144 HydrophobicContact CD1-CG1 4.39Å; F139-V144 PolarHBondContact O-N 2.99Å; F139-L147 HydrophobicContact CB-CD2 3.88Å; F139-L147 HydrophobicContact CD2-CD2 3.82Å; F139-L147 HydrophobicContact CG-CD2 4.15Å; F139-R170 VanDerWaalsContact C-NH1 3.26Å; F139-R170 PolarHBondContact O-NH1 3.3Å
140A97.6Very high97.8Very high46 Ų4636.7 Ų36.738%0.3817%0.173SC..Hα-helixtrans-60.5-56.4179.500000111.3L136 E137 V138 K142 N143 R170L136-A140 WeakPolarHBondContact O-CB 3.38Å; L136-A140 PolarHBondContact O-N 3.4Å; E137-A140 WeakPolarHBondContact O-CB 3.34Å; E137-A140 PolarHBondContact O-N 2.88Å; E137-A140 VanDerWaalsContact O-N 3.11Å; V138-A140 VanDerWaalsContact C-N 3.27Å; V138-A140 PolarHBondContact O-N 3.48Å; A140-K142 VanDerWaalsContact C-N 3.34Å; A140-K142 PolarHBondContact O-N 2.78Å; A140-N143 PolarHBondContact O-N 3.22Å; A140-R170 PolarHBondContact O-NH2 3.12Å
141W97.4Very high97.8Very high151 Ų15133.2 Ų33.257%0.57216%0.157SC*.Hα-helixtrans-72.9-23.9-178.469.7-94.8000113.7A92 E137 V138 N143A92-W141 HydrophobicContact CB-CH2 4.12Å; A92-W141 HydrophobicContact CB-CZ2 4.08Å; E137-W141 PolarHBondContact O-N 3.03Å; E137-W141 VanDerWaalsContact O-N 3.11Å; V138-W141 VanDerWaalsContact CA-NE1 3.32Å; V138-W141 HydrophobicContact CG1-CZ2 4.46Å; V138-W141 PolarHBondContact O-N 3.03Å; W141-N143 PolarHBondContact O-N 2.94Å
142K98.2Very high98Very high40 Ų4032.8 Ų32.817%0.17416%0.155CC..THydrogen-bonded Turntrans-77.8-2.7168.6-69-63.7-167.4172.20114.7A92 C95 D96 V138 A140 V144A92-K142 VanDerWaalsContact CA-CE 3.49Å; A92-K142 VanDerWaalsContact CB-CE 3.43Å; A92-K142 VanDerWaalsContact O-CE 3.29Å; A92-K142 WeakPolarHBondContact O-CE 3.37Å; C95-K142 HydrophobicContact CB-CB 3.67Å; C95-K142 HydrophobicContact CB-CD 4.18Å; C95-K142 HydrophobicContact CB-CG 3.71Å; D96-K142 IonicContact OD1-NZ 2.76Å; D96-K142 PolarHBondContact OD1-NZ 3.37Å; D96-K142 IonicContact OD2-NZ 2.74Å; D96-K142 PolarHBondContact OD2-NZ 3.42Å; V138-K142 HydrophobicContact CG1-CG 4.15Å; V138-K142 VanDerWaalsContact O-CB 3.27Å; V138-K142 WeakPolarHBondContact O-CB 3.44Å; V138-K142 VanDerWaalsContact O-CG 3.3Å; V138-K142 WeakPolarHBondContact O-CG 3.42Å; V138-K142 PolarHBondContact O-N 3.22Å; A140-K142 VanDerWaalsContact C-N 3.34Å; A140-K142 PolarHBondContact O-N 2.78Å; K142-V144 PolarHBondContact O-N 3.32Å
143N97.4Very high98Very high106 Ų10632.9 Ų32.957%0.56716%0.155SC*.THydrogen-bonded Turntrans54.248176-160.240.1000115.2R99 F139 A140 W141 R170R99-N143 PolarHBondContact NH2-O 2.89Å; F139-N143 PolarHBondContact O-N 2.76Å; F139-N143 VanDerWaalsContact O-N 3.11Å; A140-N143 PolarHBondContact O-N 3.22Å; W141-N143 PolarHBondContact O-N 2.94Å; N143-R170 VanDerWaalsContact CA-NH2 3.27Å; N143-R170 PolarHBondContact OD1-NH2 3.38Å
144V98.4Very high98Very high3 Ų330 Ų302%0.01815%0.145CC..  trans-62.7157.7172.9-53.20000111.4T73 V109 F139 K142 F146 L147 R170T73-V144 HydrophobicContact CG2-CG1 4.37Å; V109-V144 HydrophobicContact CB-CB 4.46Å; V109-V144 HydrophobicContact CG1-CB 4.06Å; V109-V144 HydrophobicContact CG1-CG1 3.78Å; F139-V144 HydrophobicContact CB-CG1 4.37Å; F139-V144 HydrophobicContact CB-CG2 3.88Å; F139-V144 HydrophobicContact CD1-CG1 4.39Å; F139-V144 PolarHBondContact O-N 2.99Å; K142-V144 PolarHBondContact O-N 3.32Å; V144-F146 WeakPolarHBondContact CG2-O 3.48Å; V144-L147 HydrophobicContact CG2-CD2 3.9Å; V144-R170 WeakPolarHBondContact O-CD 3.41Å; V144-R170 PolarHBondContact O-NE 3.25Å; V144-R170 PolarHBondContact O-NH1 2.92Å
145D98.6Very high98.1Very high52 Ų5228.8 Ų28.828%0.27814%0.14SC..SBendtrans-82.7-31.7-173-58.4-45.6000112.4R99 L108 V109R99-D145 IonicContact CZ-OD1 3.52Å; R99-D145 IonicContact CZ-OD2 3.51Å; R99-D145 IonicContact NH1-OD1 2.66Å; R99-D145 PolarHBondContact NH1-OD1 3.24Å; R99-D145 IonicContact NH1-OD2 3.67Å; R99-D145 PolarHBondContact NH1-OD2 3.35Å; R99-D145 IonicContact NH2-OD1 2.81Å; R99-D145 PolarHBondContact NH2-OD1 3.31Å; R99-D145 IonicContact NH2-OD2 3.29Å; R99-D145 PolarHBondContact NH2-OD2 2.85Å; L108-D145 VanDerWaalsContact CA-OD2 3.28Å; L108-D145 WeakPolarHBondContact CA-OD2 3.32Å; L108-D145 HydrophobicContact CB-CB 3.97Å; L108-D145 HydrophobicContact CD2-CB 4.01Å; L108-D145 HydrophobicContact CG-CB 4.42Å; V109-D145 PolarHBondContact N-OD2 3.09Å; V109-D145 WeakPolarHBondContact O-CB 3.19Å; V109-D145 PolarHBondContact O-N 3.02Å
146F98.9Very high98.2Very high0 Ų031.7 Ų31.70%015%0.153CC..EExtended strand (participates in β ladder)trans-157.2177.2173.573.3-75.6000111.2I13 V70 L108 V109 A110 G111 V144 I148 P171 A173 Y286I13-F146 HydrophobicContact CB-CB 4.44Å; I13-F146 HydrophobicContact CB-CD1 4.05Å; I13-F146 HydrophobicContact CB-CE1 4.41Å; I13-F146 HydrophobicContact CB-CG 4.12Å; I13-F146 HydrophobicContact CD1-CE1 4.44Å; I13-F146 HydrophobicContact CD1-CZ 4.33Å; I13-F146 HydrophobicContact CG1-CD1 4.44Å; I13-F146 HydrophobicContact CG1-CD2 4.37Å; I13-F146 HydrophobicContact CG1-CE1 4.43Å; I13-F146 HydrophobicContact CG1-CE2 4.36Å; I13-F146 HydrophobicContact CG1-CG 4.4Å; I13-F146 HydrophobicContact CG1-CZ 4.38Å; I13-F146 HydrophobicContact CG2-CB 3.62Å; I13-F146 HydrophobicContact CG2-CD1 4.15Å; I13-F146 HydrophobicContact CG2-CD2 4.26Å; I13-F146 HydrophobicContact CG2-CG 3.78Å; V70-F146 HydrophobicContact CB-CZ 4.46Å; V70-F146 HydrophobicContact CG1-CE1 3.93Å; V70-F146 HydrophobicContact CG1-CZ 3.7Å; V70-F146 HydrophobicContact CG2-CE1 4.06Å; V70-F146 HydrophobicContact CG2-CZ 3.86Å; L108-F146 HydrophobicContact CB-CD1 4.29Å; L108-F146 HydrophobicContact CB-CE1 4.05Å; L108-F146 HydrophobicContact CD1-CD1 4.47Å; V109-F146 PolarHBondContact O-N 2.87Å; A110-F146 WeakPolarHBondContact CA-O 3.29Å; A110-F146 HydrophobicContact CB-CD1 4.15Å; A110-F146 HydrophobicContact CB-CD2 4.4Å; A110-F146 HydrophobicContact CB-CE1 3.63Å; A110-F146 HydrophobicContact CB-CE2 3.91Å; A110-F146 HydrophobicContact CB-CZ 3.51Å; G111-F146 PolarHBondContact N-O 3.31Å; V144-F146 WeakPolarHBondContact CG2-O 3.48Å; F146-I148 HydrophobicContact CD2-CG1 4.12Å; F146-I148 HydrophobicContact CE2-CD1 3.74Å; F146-I148 HydrophobicContact CE2-CG1 3.55Å; F146-I148 HydrophobicContact CZ-CD1 4.04Å; F146-I148 HydrophobicContact CZ-CG1 4.32Å; F146-P171 HydrophobicContact CB-CB 4.14Å; F146-P171 HydrophobicContact CB-CG 4.48Å; F146-P171 WeakPolarHBondContact CB-O 3.35Å; F146-A173 HydrophobicContact CE2-CB 4.46Å; F146-Y286 HydrophobicContact CE2-CE2 4.28Å; F146-Y286 HydrophobicContact CZ-CE2 4.03Å
147L98.9Very high98.2Very high0 Ų031.2 Ų31.20%015%0.151CC..EExtended strand (participates in β ladder)trans-122146.6-174.9-60.8163.1000111G111 L136 F139 V144 L165 S168 R170 P171 V172 A173G111-L147 CarbonylContact O-C 3.56Å; G111-L147 WeakPolarHBondContact O-CA 3.39Å; L136-L147 HydrophobicContact CD1-CD1 3.54Å; L136-L147 HydrophobicContact CD1-CD2 4.11Å; L136-L147 HydrophobicContact CD1-CG 4.48Å; F139-L147 HydrophobicContact CB-CD2 3.88Å; F139-L147 HydrophobicContact CD2-CD2 3.82Å; F139-L147 HydrophobicContact CG-CD2 4.15Å; V144-L147 HydrophobicContact CG2-CD2 3.9Å; L147-L165 HydrophobicContact CB-CD1 4.09Å; L147-L165 HydrophobicContact CB-CD2 4.32Å; L147-L165 HydrophobicContact CD1-CB 4.03Å; L147-L165 HydrophobicContact CD1-CD2 4.04Å; L147-L165 HydrophobicContact CD2-CD2 4.37Å; L147-L165 HydrophobicContact CG-CD2 4.47Å; L147-S168 WeakPolarHBondContact CD1-OG 3.3Å; L147-R170 HydrophobicContact CD1-CB 4.06Å; L147-R170 HydrophobicContact CG-CB 4.28Å; L147-P171 PolarHBondContact N-O 3.19Å; L147-V172 HydrophobicContact CB-CG2 4.41Å; L147-V172 HydrophobicContact CD1-CG2 4.43Å; L147-A173 PolarHBondContact O-N 3.06Å
148I98.9Very high98.3Very high0 Ų025.8 Ų25.80%013%0.125CC..EExtended strand (participates in β ladder)trans-126.7123.8176.3-58.5175.7000108.7A110 G111 G112 I113 F146 E150 A173 M236A110-I148 HydrophobicContact CB-CD1 3.48Å; A110-I148 VanDerWaalsContact CB-CD1 3.48Å; A110-I148 HydrophobicContact CB-CG1 3.9Å; G111-I148 PolarHBondContact O-N 2.94Å; G112-I148 CarbonylContact C-O 3.5Å; G112-I148 WeakPolarHBondContact CA-O 3.47Å; I113-I148 PolarHBondContact N-O 3.19Å; F146-I148 HydrophobicContact CD2-CG1 4.12Å; F146-I148 HydrophobicContact CE2-CD1 3.74Å; F146-I148 HydrophobicContact CE2-CG1 3.55Å; F146-I148 HydrophobicContact CZ-CD1 4.04Å; F146-I148 HydrophobicContact CZ-CG1 4.32Å; I148-E150 HydrophobicContact CG2-CB 3.87Å; I148-E150 HydrophobicContact CG2-CG 4.34Å; I148-A173 CarbonylContact C-O 3.58Å; I148-A173 WeakPolarHBondContact CA-O 3.3Å; I148-A173 HydrophobicContact CG1-CB 4.17Å; I148-M236 HydrophobicContact CD1-CE 4.23Å; I148-M236 HydrophobicContact CG2-CE 4.36Å
149A98.6Very high98.3Very high0 Ų026.9 Ų26.90%013%0.132CC..EExtended strand (participates in β ladder)trans-96.9106161.700000108.3I113 F152 A161 L165 A173 V174 T175I113-A149 HydrophobicContact CD1-CB 4.42Å; I113-A149 HydrophobicContact CG1-CB 4.11Å; A149-F152 HydrophobicContact CB-CD2 4.45Å; A149-F152 HydrophobicContact CB-CE2 3.76Å; A149-F152 HydrophobicContact CB-CZ 4.46Å; A149-A161 HydrophobicContact CB-CB 4.04Å; A149-L165 HydrophobicContact CB-CD1 3.86Å; A149-A173 PolarHBondContact N-O 3.43Å; A149-V174 HydrophobicContact CB-CB 4.2Å; A149-V174 HydrophobicContact CB-CG2 3.95Å; A149-V174 CarbonylContact O-C 2.98Å; A149-V174 WeakPolarHBondContact O-CA 3.34Å; A149-V174 WeakPolarHBondContact O-CG2 3.28Å; A149-T175 PolarHBondContact O-N 2.88Å
150E98.5Very high98.3Very high14 Ų1427.9 Ų27.97%0.06514%0.136CC..EExtended strand (participates in β ladder)trans-120.3166.8-175.664.2163.517800113.3Q72 I113 C114 I148 F152 T175 N207Q72-E150 VanDerWaalsContact NE2-CD 3.34Å; Q72-E150 PolarHBondContact NE2-OE1 2.95Å; I113-E150 PolarHBondContact O-N 2.85Å; C114-E150 WeakPolarHBondContact CA-O 3.17Å; C114-E150 WeakPolarHBondContact CB-O 3.35Å; I148-E150 HydrophobicContact CG2-CB 3.87Å; I148-E150 HydrophobicContact CG2-CG 4.34Å; E150-F152 WeakPolarHBondContact O-CD2 3.29Å; E150-F152 VanDerWaalsContact O-CE2 3.29Å; E150-F152 WeakPolarHBondContact O-CE2 3.46Å; E150-T175 CarbonylContact C-O 3.53Å; E150-T175 WeakPolarHBondContact CA-O 3.19Å; E150-T175 WeakPolarHBondContact CB-OG1 3.41Å; E150-N207 PolarHBondContact OE2-ND2 3.17Å; E150-N207 VanDerWaalsContact OE2-ND2 3.12Å
151Y97.8Very high98.4Very high39 Ų3925.7 Ų25.715%0.15312%0.117CC..EExtended strand (participates in β ladder)trans5953.2173.4-162-101.4000112.9F76 Q115 T175 C177 N207 C208F76-Y151 AromaticContact CE2-CD1 3.86Å; F76-Y151 HydrophobicContact CE2-CD1 3.86Å; F76-Y151 AromaticContact CE2-CG 3.9Å; F76-Y151 HydrophobicContact CE2-CG 3.9Å; F76-Y151 AromaticContact CZ-CD1 3.84Å; F76-Y151 HydrophobicContact CZ-CD1 3.84Å; F76-Y151 HydrophobicContact CZ-CE1 4.09Å; F76-Y151 HydrophobicContact CZ-CG 4.26Å; Q115-Y151 WeakPolarHBondContact CB-O 3.45Å; Q115-Y151 HydrophobicContact CG-CD1 4.09Å; Q115-Y151 WeakPolarHBondContact CG-O 3.44Å; Q115-Y151 PolarHBondContact OE1-O 3.07Å; Q115-Y151 VanDerWaalsContact OE1-O 3.09Å; Y151-T175 PolarHBondContact N-O 2.8Å; Y151-C177 HydrophobicContact CD2-CB 3.95Å; Y151-C177 HydrophobicContact CE2-CB 4.3Å; Y151-N207 PolarHBondContact N-OD1 3.48Å; Y151-C208 HydrophobicContact CD2-CB 3.81Å; Y151-C208 HydrophobicContact CE2-CB 4.09Å
152F98.4Very high98.4Very high0 Ų018.5 Ų18.50%09%0.09CC..EExtended strand (participates in β ladder)trans-109.4123.8172.7-71.9-92000112Q115 F132 A149 E150 E157 A158 A161 M176 C177Q115-F152 HydrophobicContact CB-CD1 3.69Å; Q115-F152 HydrophobicContact CB-CE1 3.92Å; Q115-F152 HydrophobicContact CB-CG 4.26Å; F132-F152 HydrophobicContact CE1-CE1 4.49Å; F132-F152 HydrophobicContact CE1-CZ 4.26Å; F132-F152 AromaticContact CZ-CE1 3.85Å; F132-F152 HydrophobicContact CZ-CE1 3.85Å; F132-F152 AromaticContact CZ-CZ 3.98Å; F132-F152 HydrophobicContact CZ-CZ 3.98Å; A149-F152 HydrophobicContact CB-CD2 4.45Å; A149-F152 HydrophobicContact CB-CE2 3.76Å; A149-F152 HydrophobicContact CB-CZ 4.46Å; E150-F152 WeakPolarHBondContact O-CD2 3.29Å; E150-F152 VanDerWaalsContact O-CE2 3.29Å; E150-F152 WeakPolarHBondContact O-CE2 3.46Å; F152-E157 HydrophobicContact CD1-CB 4.04Å; F152-E157 HydrophobicContact CD1-CG 4.16Å; F152-E157 HydrophobicContact CE1-CB 4.24Å; F152-E157 HydrophobicContact CE1-CG 3.89Å; F152-A158 HydrophobicContact CB-CB 3.72Å; F152-A158 HydrophobicContact CD1-CB 3.91Å; F152-A158 HydrophobicContact CD2-CB 4.21Å; F152-A158 HydrophobicContact CG-CB 3.68Å; F152-A161 HydrophobicContact CE1-CB 4Å; F152-A161 HydrophobicContact CE2-CB 4.16Å; F152-A161 HydrophobicContact CZ-CB 3.5Å; F152-A161 VanDerWaalsContact CZ-CB 3.5Å; F152-M176 HydrophobicContact CB-CG 4.41Å; F152-M176 WeakPolarHBondContact O-CA 3.43Å; F152-M176 WeakPolarHBondContact O-CB 3.38Å; F152-C177 VanDerWaalsContact C-SG 3.51Å; F152-C177 PolarHBondContact O-N 3.41Å
153E97.8Very high98.4Very high2 Ų220.4 Ų20.41%0.00910%0.1CC..SBendtrans-82.8-20.3173.5-71171.9118.900113.2Q115 K120 D183 M184 R209Q115-E153 PolarHBondContact NE2-OE2 2.71Å; Q115-E153 PolarHBondContact OE1-OE2 2.89Å; K120-E153 WeakPolarHBondContact CE-OE2 3.35Å; K120-E153 IonicContact NZ-OE1 2.8Å; K120-E153 PolarHBondContact NZ-OE1 3.01Å; K120-E153 VanDerWaalsContact NZ-OE1 3.12Å; K120-E153 IonicContact NZ-OE2 3.63Å; K120-E153 PolarHBondContact NZ-OE2 2.89Å; E153-D183 WeakPolarHBondContact O-CB 3.44Å; E153-M184 HydrophobicContact CB-CG 3.82Å; E153-M184 HydrophobicContact CG-CG 4.44Å; E153-M184 PolarHBondContact O-N 3.21Å; E153-R209 IonicContact OE1-CZ 2.81Å; E153-R209 IonicContact OE1-NH1 2.69Å; E153-R209 PolarHBondContact OE1-NH1 3.09Å; E153-R209 IonicContact OE1-NH2 2.66Å; E153-R209 PolarHBondContact OE1-NH2 2.82Å; E153-R209 IonicContact OE2-NH2 3.43Å
154H98.1Very high98.5Very high18 Ų1815.3 Ų15.38%0.0837%0.073CC..  trans-126.5125.5-175.2-52.591.7000109.8Y119 E156 E157 A158 M184 H185Y119-H154 AromaticContact CD1-CE1 3.97Å; Y119-H154 AromaticContact CD1-ND1 3.59Å; Y119-H154 HydrophobicContact CE1-CB 3.71Å; Y119-H154 AromaticContact CE1-CD2 3.75Å; Y119-H154 AromaticContact CE1-CE1 3.8Å; Y119-H154 AromaticContact CE1-CG 3.34Å; Y119-H154 AromaticContact CE1-ND1 3.38Å; Y119-H154 WeakPolarHBondContact CE1-ND1 3.27Å; Y119-H154 AromaticContact CE1-NE2 4Å; H154-E156 PolarHBondContact O-N 3.2Å; H154-E157 PolarHBondContact O-N 2.95Å; H154-A158 PolarHBondContact O-N 3.36Å; H154-M184 VanDerWaalsContact NE2-CB 3.35Å; H154-M184 WeakPolarHBondContact NE2-CB 3.35Å; H154-H185 AromaticContact CD2-CE1 3.31Å; H154-H185 PolarHBondContact CD2-CE1 2.97Å; H154-H185 AromaticContact CD2-ND1 3.56Å; H154-H185 AromaticContact CD2-NE2 3.99Å
155V98.7Very high98.5Very high1 Ų115.2 Ų15.21%0.0067%0.072CC..Hα-helixtrans-67.7-27.9-178.970.60000111.9A158 V159 M176 D183 I187 C192 R195 L196V155-A158 PolarHBondContact O-N 3.17Å; V155-V159 HydrophobicContact CG2-CG2 4.22Å; V155-V159 WeakPolarHBondContact O-CB 3.32Å; V155-V159 VanDerWaalsContact O-CG2 3.29Å; V155-V159 WeakPolarHBondContact O-CG2 3.46Å; V155-V159 PolarHBondContact O-N 3.24Å; V155-M176 HydrophobicContact CB-CE 3.81Å; V155-M176 HydrophobicContact CB-SD 4.02Å; V155-M176 HydrophobicContact CG2-SD 4.11Å; V155-M176 VanDerWaalsContact N-CE 3.29Å; V155-D183 WeakPolarHBondContact CG1-OD2 3.45Å; V155-D183 PolarHBondContact N-OD2 3.33Å; V155-I187 HydrophobicContact CG1-CB 4.31Å; V155-I187 HydrophobicContact CG1-CG1 4.3Å; V155-I187 HydrophobicContact CG1-CG2 4.21Å; V155-C192 HydrophobicContact CB-CB 4.25Å; V155-C192 HydrophobicContact CG2-CB 4.01Å; V155-R195 HydrophobicContact CG2-CB 4.05Å; V155-L196 HydrophobicContact CG2-CD2 4.13Å; V155-L196 HydrophobicContact CG2-CG 4.05Å
156E98.1Very high98.5Very high68 Ų6816.9 Ų16.932%0.3188%0.077SC..Hα-helixtrans-57.3-50.9176.3177.5173.5-116.700111.4Y119 K123 H154 V159 W160Y119-E156 HydrophobicContact CE2-CG 4.37Å; Y119-E156 PolarHBondContact OH-OE2 3.37Å; K123-E156 IonicContact NZ-OE2 2.61Å; K123-E156 PolarHBondContact NZ-OE2 3.37Å; H154-E156 PolarHBondContact O-N 3.2Å; E156-V159 PolarHBondContact O-N 3.46Å; E156-W160 HydrophobicContact CG-CH2 4.09Å; E156-W160 HydrophobicContact CG-CZ2 3.61Å; E156-W160 PolarHBondContact O-N 3.33Å
157E98.3Very high98.4Very high1 Ų122.1 Ų22.11%0.00510%0.101CC..Hα-helixtrans-68.4-37.8177.8-161.1-173.4-177.400111.9Q115 T116 Y119 I128 F132 F152 H154 V159 W160 A161Q115-E157 WeakPolarHBondContact CB-OE2 3.37Å; T116-E157 WeakPolarHBondContact CB-OE1 3.39Å; T116-E157 PolarHBondContact N-OE1 2.87Å; T116-E157 PolarHBondContact OG1-OE1 2.84Å; Y119-E157 VanDerWaalsContact CB-CD 3.42Å; Y119-E157 WeakPolarHBondContact CB-OE1 3.06Å; Y119-E157 VanDerWaalsContact CB-OE2 3.31Å; Y119-E157 WeakPolarHBondContact CB-OE2 3.17Å; Y119-E157 HydrophobicContact CD2-CB 3.64Å; Y119-E157 HydrophobicContact CD2-CG 3.65Å; Y119-E157 HydrophobicContact CE2-CB 3.74Å; Y119-E157 HydrophobicContact CE2-CG 4.25Å; Y119-E157 HydrophobicContact CG-CB 4.1Å; Y119-E157 HydrophobicContact CG-CG 4.04Å; I128-E157 HydrophobicContact CG2-CG 4.09Å; F132-E157 HydrophobicContact CE2-CG 4.37Å; F132-E157 HydrophobicContact CZ-CG 4.11Å; F152-E157 HydrophobicContact CD1-CB 4.04Å; F152-E157 HydrophobicContact CD1-CG 4.16Å; F152-E157 HydrophobicContact CE1-CB 4.24Å; F152-E157 HydrophobicContact CE1-CG 3.89Å; H154-E157 PolarHBondContact O-N 2.95Å; E157-V159 VanDerWaalsContact C-N 3.3Å; E157-V159 PolarHBondContact O-N 2.98Å; E157-W160 HydrophobicContact CB-CE3 4.47Å; E157-W160 HydrophobicContact CG-CE3 4.24Å; E157-W160 WeakPolarHBondContact O-CB 3.46Å; E157-W160 PolarHBondContact O-N 3.41Å; E157-A161 PolarHBondContact O-N 3.02Å
158A98.6Very high98.3Very high0 Ų023 Ų230%011%0.108CC..Hα-helixtrans-62.7-36.4176.600000112.2F152 H154 V155 A161 V162 V174 L196F152-A158 HydrophobicContact CB-CB 3.72Å; F152-A158 HydrophobicContact CD1-CB 3.91Å; F152-A158 HydrophobicContact CD2-CB 4.21Å; F152-A158 HydrophobicContact CG-CB 3.68Å; H154-A158 PolarHBondContact O-N 3.36Å; V155-A158 PolarHBondContact O-N 3.17Å; A158-A161 WeakPolarHBondContact O-CB 3.01Å; A158-A161 PolarHBondContact O-N 3Å; A158-V162 WeakPolarHBondContact O-CG2 3.4Å; A158-V162 PolarHBondContact O-N 2.52Å; A158-V174 HydrophobicContact CB-CG2 4.35Å; A158-L196 HydrophobicContact CB-CD2 3.72Å
159V98.8Very high98Very high23 Ų2331.2 Ų31.214%0.13915%0.151CC..Hα-helixtrans-63.5-45.2173.2163.80000110.5V155 E156 E157 A161 V162 E163 R195 L196 A199V155-V159 HydrophobicContact CG2-CG2 4.22Å; V155-V159 WeakPolarHBondContact O-CB 3.32Å; V155-V159 VanDerWaalsContact O-CG2 3.29Å; V155-V159 WeakPolarHBondContact O-CG2 3.46Å; V155-V159 PolarHBondContact O-N 3.24Å; E156-V159 PolarHBondContact O-N 3.46Å; E157-V159 VanDerWaalsContact C-N 3.3Å; E157-V159 PolarHBondContact O-N 2.98Å; V159-A161 VanDerWaalsContact C-N 3.29Å; V159-A161 PolarHBondContact O-N 3.47Å; V159-V162 PolarHBondContact O-N 2.9Å; V159-E163 HydrophobicContact CG1-CG 4.34Å; V159-E163 WeakPolarHBondContact O-CG 3.39Å; V159-E163 PolarHBondContact O-N 2.57Å; V159-R195 HydrophobicContact CG2-CB 4.09Å; V159-L196 HydrophobicContact CG2-CD2 4.24Å; V159-A199 HydrophobicContact CB-CB 4.47Å; V159-A199 HydrophobicContact CG1-CB 3.99Å; V159-A199 HydrophobicContact CG2-CB 4.31Å
160W98.6Very high98Very high21 Ų2133 Ų338%0.0816%0.158CC..Hα-helixtrans-60.6-39.3175.9-60.4-21.7000112.6Y119 E125 I128 K129 E156 E157 E163 V164Y119-W160 HydrophobicContact CD2-CE3 4.38Å; Y119-W160 HydrophobicContact CD2-CH2 4.32Å; Y119-W160 AromaticContact CD2-CZ3 3.65Å; Y119-W160 HydrophobicContact CD2-CZ3 3.65Å; Y119-W160 HydrophobicContact CE2-CE3 4.36Å; Y119-W160 AromaticContact CE2-CH2 3.85Å; Y119-W160 HydrophobicContact CE2-CH2 3.85Å; Y119-W160 AromaticContact CE2-CZ3 3.58Å; Y119-W160 HydrophobicContact CE2-CZ3 3.58Å; E125-W160 HydrophobicContact CB-CD2 4.26Å; E125-W160 HydrophobicContact CB-CE3 4.31Å; E125-W160 HydrophobicContact CB-CH2 3.8Å; E125-W160 HydrophobicContact CB-CZ2 3.74Å; E125-W160 HydrophobicContact CB-CZ3 4.08Å; E125-W160 HydrophobicContact CG-CD2 3.77Å; E125-W160 HydrophobicContact CG-CE3 4.23Å; E125-W160 HydrophobicContact CG-CG 4.13Å; E125-W160 HydrophobicContact CG-CH2 4.34Å; E125-W160 HydrophobicContact CG-CZ2 3.9Å; E125-W160 HydrophobicContact CG-CZ3 4.48Å; I128-W160 HydrophobicContact CB-CE3 4.43Å; I128-W160 HydrophobicContact CD1-CE3 4.39Å; I128-W160 HydrophobicContact CD1-CZ3 3.85Å; I128-W160 HydrophobicContact CG2-CE3 4.09Å; K129-W160 HydrophobicContact CD-CB 4.44Å; K129-W160 HydrophobicContact CG-CB 4.02Å; E156-W160 HydrophobicContact CG-CH2 4.09Å; E156-W160 HydrophobicContact CG-CZ2 3.61Å; E156-W160 PolarHBondContact O-N 3.33Å; E157-W160 HydrophobicContact CB-CE3 4.47Å; E157-W160 HydrophobicContact CG-CE3 4.24Å; E157-W160 WeakPolarHBondContact O-CB 3.46Å; E157-W160 PolarHBondContact O-N 3.41Å; W160-E163 PolarHBondContact O-N 3.42Å; W160-V164 WeakPolarHBondContact O-CG2 3.41Å; W160-V164 PolarHBondContact O-N 3.26Å; W160-V164 VanDerWaalsContact O-N 3.08Å
161A98.6Very high98Very high0 Ų033.7 Ų33.70%016%0.164CC..Hα-helixtrans-60.9-49.517400000111.2I113 F132 A149 F152 E157 A158 V159 E163 V164 L165I113-A161 HydrophobicContact CD1-CB 3.76Å; F132-A161 HydrophobicContact CD2-CB 3.95Å; F132-A161 HydrophobicContact CE2-CB 3.7Å; F132-A161 HydrophobicContact CZ-CB 4.08Å; A149-A161 HydrophobicContact CB-CB 4.04Å; F152-A161 HydrophobicContact CE1-CB 4Å; F152-A161 HydrophobicContact CE2-CB 4.16Å; F152-A161 HydrophobicContact CZ-CB 3.5Å; F152-A161 VanDerWaalsContact CZ-CB 3.5Å; E157-A161 PolarHBondContact O-N 3.02Å; A158-A161 WeakPolarHBondContact O-CB 3.01Å; A158-A161 PolarHBondContact O-N 3Å; V159-A161 VanDerWaalsContact C-N 3.29Å; V159-A161 PolarHBondContact O-N 3.47Å; A161-E163 PolarHBondContact O-N 2.67Å; A161-V164 PolarHBondContact O-N 3.45Å; A161-L165 VanDerWaalsContact O-CG 3.27Å; A161-L165 WeakPolarHBondContact O-CG 3.42Å; A161-L165 PolarHBondContact O-N 3.09Å
162V98.8Very high98Very high0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-59.6-46.7177.2173.50000111.3A158 V159 V164 L165 K166 V172 V174 L196 A199 A201A158-V162 WeakPolarHBondContact O-CG2 3.4Å; A158-V162 PolarHBondContact O-N 2.52Å; V159-V162 PolarHBondContact O-N 2.9Å; V162-V164 VanDerWaalsContact C-N 3.31Å; V162-V164 PolarHBondContact O-N 3Å; V162-L165 PolarHBondContact O-N 2.82Å; V162-K166 HydrophobicContact CG1-CG 4.14Å; V162-K166 WeakPolarHBondContact O-CB 3.37Å; V162-K166 VanDerWaalsContact O-CG 3.25Å; V162-K166 WeakPolarHBondContact O-CG 3.25Å; V162-K166 PolarHBondContact O-N 3.13Å; V162-V172 HydrophobicContact CG1-CG1 4.35Å; V162-V172 HydrophobicContact CG2-CG1 4.31Å; V162-V174 HydrophobicContact CG2-CB 3.83Å; V162-V174 HydrophobicContact CG2-CG1 3.97Å; V162-V174 HydrophobicContact CG2-CG2 4.01Å; V162-L196 HydrophobicContact CG2-CD2 4.3Å; V162-A199 HydrophobicContact CB-CB 4.04Å; V162-A199 HydrophobicContact CG1-CB 3.74Å; V162-A199 WeakPolarHBondContact CG1-O 3.39Å; V162-A201 HydrophobicContact CG1-CB 4.13Å; V162-A201 HydrophobicContact CG2-CB 4.27Å
163E98.6Very high98.1Very high80 Ų8031.9 Ų31.937%0.37416%0.157SC..Hα-helixtrans-56.7-44178.5-73.5172.6167.800112K129 V159 W160 A161 A199K129-E163 VanDerWaalsContact CE-OE2 3.29Å; K129-E163 WeakPolarHBondContact CE-OE2 3.39Å; K129-E163 IonicContact NZ-OE2 3.46Å; K129-E163 PolarHBondContact NZ-OE2 3.45Å; V159-E163 HydrophobicContact CG1-CG 4.34Å; V159-E163 WeakPolarHBondContact O-CG 3.39Å; V159-E163 PolarHBondContact O-N 2.57Å; W160-E163 PolarHBondContact O-N 3.42Å; A161-E163 PolarHBondContact O-N 2.67Å; E163-A199 HydrophobicContact CG-CB 4.48Å
164V98.7Very high98.1Very high0 Ų031.8 Ų31.80%016%0.156CC..Hα-helixtrans-67.6-48176.4171.80000111.2K129 F132 R133 L136 W160 A161 V162 K166 E167K129-V164 HydrophobicContact CB-CG2 3.69Å; K129-V164 HydrophobicContact CD-CG2 4.07Å; K129-V164 HydrophobicContact CG-CG2 3.64Å; F132-V164 HydrophobicContact CB-CB 4.17Å; F132-V164 HydrophobicContact CB-CG1 3.86Å; F132-V164 HydrophobicContact CB-CG2 4.44Å; R133-V164 HydrophobicContact CB-CG1 3.95Å; L136-V164 HydrophobicContact CD2-CG1 4.12Å; L136-V164 WeakPolarHBondContact CD2-O 3.29Å; W160-V164 WeakPolarHBondContact O-CG2 3.41Å; W160-V164 PolarHBondContact O-N 3.26Å; W160-V164 VanDerWaalsContact O-N 3.08Å; A161-V164 PolarHBondContact O-N 3.45Å; V162-V164 VanDerWaalsContact C-N 3.31Å; V162-V164 PolarHBondContact O-N 3Å; V164-K166 PolarHBondContact O-N 3.45Å; V164-E167 WeakPolarHBondContact O-CB 3.41Å; V164-E167 VanDerWaalsContact O-CG 3.31Å; V164-E167 WeakPolarHBondContact O-CG 3.35Å; V164-E167 PolarHBondContact O-N 2.93Å
165L98.6Very high98.2Very high1 Ų130.9 Ų30.91%0.00515%0.152CC..Hα-helixtrans-60.8-30.3179.9-66.9179.8000112.4I113 L136 L147 A149 A161 V162 E167 S168 V172I113-L165 HydrophobicContact CD1-CD1 3.77Å; I113-L165 HydrophobicContact CD1-CD2 3.75Å; I113-L165 HydrophobicContact CD1-CG 3.76Å; I113-L165 HydrophobicContact CG1-CD1 4.04Å; I113-L165 HydrophobicContact CG1-CD2 4.31Å; I113-L165 HydrophobicContact CG1-CG 4.47Å; L136-L165 HydrophobicContact CB-CD2 4.43Å; L136-L165 HydrophobicContact CD1-CD2 3.97Å; L147-L165 HydrophobicContact CB-CD1 4.09Å; L147-L165 HydrophobicContact CB-CD2 4.32Å; L147-L165 HydrophobicContact CD1-CB 4.03Å; L147-L165 HydrophobicContact CD1-CD2 4.04Å; L147-L165 HydrophobicContact CD2-CD2 4.37Å; L147-L165 HydrophobicContact CG-CD2 4.47Å; A149-L165 HydrophobicContact CB-CD1 3.86Å; A161-L165 VanDerWaalsContact O-CG 3.27Å; A161-L165 WeakPolarHBondContact O-CG 3.42Å; A161-L165 PolarHBondContact O-N 3.09Å; V162-L165 PolarHBondContact O-N 2.82Å; L165-E167 PolarHBondContact O-N 3.06Å; L165-S168 PolarHBondContact O-N 3.38Å; L165-S168 VanDerWaalsContact O-N 3.15Å; L165-S168 PolarHBondContact O-OG 3.07Å; L165-V172 HydrophobicContact CB-CG1 4.13Å; L165-V172 HydrophobicContact CB-CG2 3.74Å; L165-V172 HydrophobicContact CD1-CG1 3.92Å
166K97.9Very high98.2Very high86 Ų8630.9 Ų30.937%0.37415%0.152SC..THydrogen-bonded Turntrans-72.3-7.5174.5-75.6-56.5-55.5167.60114.7V162 V164 S168 V172V162-K166 HydrophobicContact CG1-CG 4.14Å; V162-K166 WeakPolarHBondContact O-CB 3.37Å; V162-K166 VanDerWaalsContact O-CG 3.25Å; V162-K166 WeakPolarHBondContact O-CG 3.25Å; V162-K166 PolarHBondContact O-N 3.13Å; V164-K166 PolarHBondContact O-N 3.45Å; K166-S168 PolarHBondContact O-N 3.05Å; K166-V172 HydrophobicContact CD-CB 4.21Å; K166-V172 HydrophobicContact CD-CG2 3.68Å; K166-V172 HydrophobicContact CG-CG2 4.18Å
167E97.8Very high98.2Very high110 Ų11027.7 Ų27.751%0.51414%0.138SC..THydrogen-bonded Turntrans-66.2-16.7165.4-61.8174.7-172.600111.7R133 L136 V164 L165R133-E167 IonicContact CZ-OE1 2.85Å; R133-E167 IonicContact CZ-OE2 2.7Å; R133-E167 IonicContact NE-OE1 3.64Å; R133-E167 IonicContact NE-OE2 3.3Å; R133-E167 PolarHBondContact NE-OE2 3.36Å; R133-E167 IonicContact NH2-OE1 3.16Å; R133-E167 PolarHBondContact NH2-OE1 2.98Å; R133-E167 IonicContact NH2-OE2 2.73Å; R133-E167 PolarHBondContact NH2-OE2 2.96Å; L136-E167 HydrophobicContact CD2-CB 4.35Å; V164-E167 WeakPolarHBondContact O-CB 3.41Å; V164-E167 VanDerWaalsContact O-CG 3.31Å; V164-E167 WeakPolarHBondContact O-CG 3.35Å; V164-E167 PolarHBondContact O-N 2.93Å; L165-E167 PolarHBondContact O-N 3.06Å
168S95.9Very high98.2Very high19 Ų1928 Ų2813%0.13314%0.139CC..SBendtrans-93.9156.7167.579.70000112.4L147 L165 K166 R170L147-S168 WeakPolarHBondContact CD1-OG 3.3Å; L165-S168 PolarHBondContact O-N 3.38Å; L165-S168 VanDerWaalsContact O-N 3.15Å; L165-S168 PolarHBondContact O-OG 3.07Å; K166-S168 PolarHBondContact O-N 3.05Å; S168-R170 PolarHBondContact O-N 3.18Å; S168-R170 VanDerWaalsContact O-N 3.14Å; S168-R170 PolarHBondContact OG-N 2.97Å
169D93.9Very high98.2Very high172 Ų17228.1 Ų28.192%0.9214%0.14SC*.SBendtrans-76.89.1175.1-64.9-43.7000113.8
170R97.6Very high98.2Very high38 Ų3829.3 Ų29.314%0.14315%0.148CC..SBendtrans-87.4151.5-175.5-63-167.6-177.4140.29.5112.3F139 A140 N143 V144 L147 S168F139-R170 VanDerWaalsContact C-NH1 3.26Å; F139-R170 PolarHBondContact O-NH1 3.3Å; A140-R170 PolarHBondContact O-NH2 3.12Å; N143-R170 VanDerWaalsContact CA-NH2 3.27Å; N143-R170 PolarHBondContact OD1-NH2 3.38Å; V144-R170 WeakPolarHBondContact O-CD 3.41Å; V144-R170 PolarHBondContact O-NE 3.25Å; V144-R170 PolarHBondContact O-NH1 2.92Å; L147-R170 HydrophobicContact CD1-CB 4.06Å; L147-R170 HydrophobicContact CG-CB 4.28Å; S168-R170 PolarHBondContact O-N 3.18Å; S168-R170 VanDerWaalsContact O-N 3.14Å; S168-R170 PolarHBondContact OG-N 2.97Å
171P98.6Very high98.1Very high29 Ų2934.2 Ų34.219%0.18817%0.172CC..  trans-59.2140.7167.5-23.535.5000111I13 L14 F146 L147I13-P171 HydrophobicContact CG2-CB 3.57Å; I13-P171 HydrophobicContact CG2-CG 3.7Å; L14-P171 HydrophobicContact CD1-CB 4Å; L14-P171 HydrophobicContact CD1-CG 3.91Å; L14-P171 HydrophobicContact CD2-CB 4.27Å; L14-P171 HydrophobicContact CG-CB 3.87Å; L14-P171 HydrophobicContact CG-CG 3.88Å; F146-P171 HydrophobicContact CB-CB 4.14Å; F146-P171 HydrophobicContact CB-CG 4.48Å; F146-P171 WeakPolarHBondContact CB-O 3.35Å; L147-P171 PolarHBondContact N-O 3.19Å
172V98.9Very high98.1Very high0 Ų034.3 Ų34.30%017%0.173CC..EExtended strand (participates in β ladder)trans-117.8123.1179.1178.70000109.1L147 V162 L165 K166 S202 I203L147-V172 HydrophobicContact CB-CG2 4.41Å; L147-V172 HydrophobicContact CD1-CG2 4.43Å; V162-V172 HydrophobicContact CG1-CG1 4.35Å; V162-V172 HydrophobicContact CG2-CG1 4.31Å; L165-V172 HydrophobicContact CB-CG1 4.13Å; L165-V172 HydrophobicContact CB-CG2 3.74Å; L165-V172 HydrophobicContact CD1-CG1 3.92Å; K166-V172 HydrophobicContact CD-CB 4.21Å; K166-V172 HydrophobicContact CD-CG2 3.68Å; K166-V172 HydrophobicContact CG-CG2 4.18Å; V172-S202 PolarHBondContact O-N 3.38Å; V172-I203 PolarHBondContact O-N 2.63Å
173A98.9Very high98.1Very high0 Ų034.3 Ų34.30%017%0.173CC..EExtended strand (participates in β ladder)trans-99.6148.6164.600000110F146 L147 I148 A149 I203 M236F146-A173 HydrophobicContact CE2-CB 4.46Å; L147-A173 PolarHBondContact O-N 3.06Å; I148-A173 CarbonylContact C-O 3.58Å; I148-A173 WeakPolarHBondContact CA-O 3.3Å; I148-A173 HydrophobicContact CG1-CB 4.17Å; A149-A173 PolarHBondContact N-O 3.43Å; A173-I203 CarbonylContact C-O 3.6Å; A173-I203 VanDerWaalsContact CA-O 3.29Å; A173-I203 WeakPolarHBondContact CA-O 3.2Å; A173-I203 HydrophobicContact CB-CB 3.7Å; A173-I203 HydrophobicContact CB-CD1 4.12Å; A173-I203 HydrophobicContact CB-CG1 4.42Å; A173-I203 HydrophobicContact CB-CG2 4.07Å; A173-M236 HydrophobicContact CB-SD 3.93Å
174V98.9Very high97.9Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-140.3132.3174.358.40000111.3A149 A158 V162 L196 A201 I203 V204 G205A149-V174 HydrophobicContact CB-CB 4.2Å; A149-V174 HydrophobicContact CB-CG2 3.95Å; A149-V174 CarbonylContact O-C 2.98Å; A149-V174 WeakPolarHBondContact O-CA 3.34Å; A149-V174 WeakPolarHBondContact O-CG2 3.28Å; A158-V174 HydrophobicContact CB-CG2 4.35Å; V162-V174 HydrophobicContact CG2-CB 3.83Å; V162-V174 HydrophobicContact CG2-CG1 3.97Å; V162-V174 HydrophobicContact CG2-CG2 4.01Å; V174-L196 HydrophobicContact CG1-CB 3.8Å; V174-L196 HydrophobicContact CG1-CD1 3.9Å; V174-L196 HydrophobicContact CG1-CD2 4Å; V174-L196 HydrophobicContact CG1-CG 4.09Å; V174-L196 HydrophobicContact CG2-CD1 4.12Å; V174-L196 HydrophobicContact CG2-CD2 3.78Å; V174-L196 HydrophobicContact CG2-CG 4.49Å; V174-A201 HydrophobicContact CB-CB 4.46Å; V174-A201 HydrophobicContact CG1-CB 3.44Å; V174-A201 VanDerWaalsContact CG1-CB 3.44Å; V174-I203 PolarHBondContact N-O 3.31Å; V174-V204 HydrophobicContact CG1-CB 4.48Å; V174-V204 HydrophobicContact CG1-CG1 3.84Å; V174-V204 CarbonylContact O-C 3.48Å; V174-V204 VanDerWaalsContact O-CA 3.27Å; V174-V204 WeakPolarHBondContact O-CA 3.48Å; V174-G205 PolarHBondContact O-N 3.47Å
175T98.9Very high97.8Very high0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-130138.3175.456.60000111.1A149 E150 Y151 G205 N207 M236A149-T175 PolarHBondContact O-N 2.88Å; E150-T175 CarbonylContact C-O 3.53Å; E150-T175 WeakPolarHBondContact CA-O 3.19Å; E150-T175 WeakPolarHBondContact CB-OG1 3.41Å; Y151-T175 PolarHBondContact N-O 2.8Å; T175-G205 VanDerWaalsContact CA-O 3.26Å; T175-G205 WeakPolarHBondContact CA-O 3.19Å; T175-N207 WeakPolarHBondContact CB-OD1 3.31Å; T175-N207 PolarHBondContact O-OD1 3.49Å; T175-N207 WeakPolarHBondContact OG1-CB 3.25Å; T175-N207 PolarHBondContact OG1-OD1 2.8Å; T175-M236 HydrophobicContact CG2-CB 4.25Å; T175-M236 HydrophobicContact CG2-CE 3.84Å; T175-M236 HydrophobicContact CG2-CG 3.7Å; T175-M236 HydrophobicContact CG2-SD 3.75Å
176M98.9Very high97.8Very high0 Ų042.4 Ų42.40%022%0.215CC..EExtended strand (participates in β ladder)trans-103.9150177.2-66.2-172.573.600111.1F152 V155 I178 D183 C192 L196 G205 V206 N207F152-M176 HydrophobicContact CB-CG 4.41Å; F152-M176 WeakPolarHBondContact O-CA 3.43Å; F152-M176 WeakPolarHBondContact O-CB 3.38Å; V155-M176 HydrophobicContact CB-CE 3.81Å; V155-M176 HydrophobicContact CB-SD 4.02Å; V155-M176 HydrophobicContact CG2-SD 4.11Å; V155-M176 VanDerWaalsContact N-CE 3.29Å; M176-I178 VanDerWaalsContact C-N 3.28Å; M176-I178 HydrophobicContact CB-CD1 4.2Å; M176-I178 HydrophobicContact CB-CG1 3.86Å; M176-I178 HydrophobicContact CB-CG2 4.2Å; M176-I178 HydrophobicContact CE-CD1 4.12Å; M176-I178 HydrophobicContact CE-CG2 3.97Å; M176-I178 PolarHBondContact O-N 3.26Å; M176-I178 HydrophobicContact SD-CD1 4.02Å; M176-D183 HydrophobicContact CE-CB 3.87Å; M176-C192 HydrophobicContact SD-CB 3.75Å; M176-L196 HydrophobicContact CG-CD1 4.08Å; M176-L196 HydrophobicContact SD-CD1 3.92Å; M176-G205 PolarHBondContact N-O 2.84Å; M176-V206 CarbonylContact O-C 3.37Å; M176-V206 WeakPolarHBondContact O-CA 3.21Å; M176-V206 VanDerWaalsContact O-CB 3.31Å; M176-V206 WeakPolarHBondContact O-CB 3.5Å; M176-N207 PolarHBondContact O-N 3.1Å
177C98.4Very high97.8Very high2 Ų240 Ų401%0.01421%0.206CC..  trans-94.648.7175.857.80000112.1Y151 F152 N207 C208 R209Y151-C177 HydrophobicContact CD2-CB 3.95Å; Y151-C177 HydrophobicContact CE2-CB 4.3Å; F152-C177 VanDerWaalsContact C-SG 3.51Å; F152-C177 PolarHBondContact O-N 3.41Å; C177-N207 WeakPolarHBondContact CA-O 3.28Å; C177-N207 VanDerWaalsContact CB-O 3.28Å; C177-N207 WeakPolarHBondContact CB-O 3.13Å; C177-C208 HydrophobicContact CB-CB 4.27Å; C177-R209 HydrophobicContact CB-CB 4.26Å; C177-R209 HydrophobicContact CB-CG 4.03Å; C177-R209 WeakPolarHBondContact O-CD 3.44Å
178I98.6Very high97.8Very high7 Ų738.3 Ų38.34%0.03620%0.204CC..  trans-114.3153.3-17467.5172000112.4M176 D183 C192 T218 M222M176-I178 VanDerWaalsContact C-N 3.28Å; M176-I178 HydrophobicContact CB-CD1 4.2Å; M176-I178 HydrophobicContact CB-CG1 3.86Å; M176-I178 HydrophobicContact CB-CG2 4.2Å; M176-I178 HydrophobicContact CE-CD1 4.12Å; M176-I178 HydrophobicContact CE-CG2 3.97Å; M176-I178 PolarHBondContact O-N 3.26Å; M176-I178 HydrophobicContact SD-CD1 4.02Å; I178-D183 HydrophobicContact CD1-CB 4.33Å; I178-D183 HydrophobicContact CG2-CB 4.08Å; I178-C192 HydrophobicContact CD1-CB 4.34Å; I178-T218 HydrophobicContact CG1-CG2 4.41Å; I178-M222 HydrophobicContact CD1-CE 4.06Å; I178-M222 HydrophobicContact CG1-CE 4.32Å
179G98.3Very high98Very high2 Ų237.6 Ų37.62%0.02120%0.198CC..BIsolated β-bridgetrans-92.9-173.7176.100000113E181 G182G179-E181 PolarHBondContact O-N 3.44Å; G179-E181 VanDerWaalsContact O-N 3.17Å; G179-G182 PolarHBondContact O-N 3.08Å
180P98.3Very high98.2Very high48 Ų4829.6 Ų29.631%0.31216%0.156SC..THydrogen-bonded Turntrans-60.3-23.9176.8-2636.4000113.8G182 T214 K217 T218 L221P180-G182 PolarHBondContact O-N 3.16Å; P180-T214 HydrophobicContact CG-CG2 4.11Å; P180-K217 HydrophobicContact CG-CB 4.03Å; P180-T218 WeakPolarHBondContact CD-OG1 3.13Å; P180-L221 HydrophobicContact CB-CD1 3.84Å
181E97.9Very high98.3Very high124 Ų12431.8 Ų31.858%0.57917%0.168SC*.THydrogen-bonded Turntrans-68.6-12.5176.4-64.5179.5-115.100113.4G179 K249G179-E181 PolarHBondContact O-N 3.44Å; G179-E181 VanDerWaalsContact O-N 3.17Å; E181-K249 HydrophobicContact CB-CD 4.32Å; E181-K249 HydrophobicContact CB-CG 4.25Å
182G98.1Very high98.3Very high2 Ų230.4 Ų30.42%0.02116%0.159CC..BIsolated β-bridgetrans95.1-170.7-179.300000113.8G179 P180 I187G179-G182 PolarHBondContact O-N 3.08Å; P180-G182 PolarHBondContact O-N 3.16Å; G182-I187 CarbonylContact C-O 3.53Å; G182-I187 WeakPolarHBondContact CA-O 3.26Å
183D98Very high98.3Very high1 Ų130.4 Ų30.41%0.00516%0.159CC..SBendtrans-74.1175.4-178.895.8-23.4000112.4E153 V155 M176 I178 H185 D186 I187 K249E153-D183 WeakPolarHBondContact O-CB 3.44Å; V155-D183 WeakPolarHBondContact CG1-OD2 3.45Å; V155-D183 PolarHBondContact N-OD2 3.33Å; M176-D183 HydrophobicContact CE-CB 3.87Å; I178-D183 HydrophobicContact CD1-CB 4.33Å; I178-D183 HydrophobicContact CG2-CB 4.08Å; D183-H185 PolarHBondContact O-N 3.27Å; D183-H185 VanDerWaalsContact O-N 3.09Å; D183-H185 WeakPolarHBondContact OD1-CA 3.32Å; D183-H185 PolarHBondContact OD1-N 3.41Å; D183-D186 WeakPolarHBondContact O-CA 3.32Å; D183-D186 PolarHBondContact O-N 3.38Å; D183-D186 PolarHBondContact OD1-N 3.04Å; D183-I187 PolarHBondContact N-O 2.99Å; D183-I187 VanDerWaalsContact OD1-CB 3.29Å; D183-I187 WeakPolarHBondContact OD1-CB 3.33Å; D183-I187 WeakPolarHBondContact OD1-CG1 3.43Å; D183-I187 PolarHBondContact OD1-N 3.28Å; D183-K249 WeakPolarHBondContact O-CE 3.33Å; D183-K249 PolarHBondContact O-NZ 3.01Å
184M95.8Very high98.3Very high53 Ų5331.4 Ų31.426%0.26117%0.165SC..THydrogen-bonded Turntrans-69.2-4-177.6-69.2-53.3-65.300115.1E153 H154 K249 E250E153-M184 HydrophobicContact CB-CG 3.82Å; E153-M184 HydrophobicContact CG-CG 4.44Å; E153-M184 PolarHBondContact O-N 3.21Å; H154-M184 VanDerWaalsContact NE2-CB 3.35Å; H154-M184 WeakPolarHBondContact NE2-CB 3.35Å; M184-K249 HydrophobicContact SD-CD 4.43Å; M184-K249 HydrophobicContact SD-CG 4.38Å; M184-E250 WeakPolarHBondContact CE-OE1 3.12Å
185H96.2Very high98.3Very high78 Ų7836.6 Ų36.636%0.36119%0.185SC..THydrogen-bonded Turntrans-106.518.6167.2-62.1120.5000112.8Y119 K123 H154 D183 I187Y119-H185 PolarHBondContact OH-CE1 3.33Å; Y119-H185 VanDerWaalsContact OH-CE1 3.29Å; K123-H185 PolarHBondContact NZ-CE1 3.02Å; K123-H185 VanDerWaalsContact NZ-CE1 3.26Å; K123-H185 PolarHBondContact NZ-NE2 3Å; H154-H185 AromaticContact CD2-CE1 3.31Å; H154-H185 PolarHBondContact CD2-CE1 2.97Å; H154-H185 AromaticContact CD2-ND1 3.56Å; H154-H185 AromaticContact CD2-NE2 3.99Å; D183-H185 PolarHBondContact O-N 3.27Å; D183-H185 VanDerWaalsContact O-N 3.09Å; D183-H185 WeakPolarHBondContact OD1-CA 3.32Å; D183-H185 PolarHBondContact OD1-N 3.41Å; H185-I187 HydrophobicContact CB-CG1 4.24Å; H185-I187 PolarHBondContact O-N 2.93Å
186D97.1Very high98.3Very high119 Ų11936.6 Ų36.664%0.63619%0.185SC*.  trans62.523.1-178.8-56.3-52.2000113.4D183 T188 K249D183-D186 WeakPolarHBondContact O-CA 3.32Å; D183-D186 PolarHBondContact O-N 3.38Å; D183-D186 PolarHBondContact OD1-N 3.04Å; D186-T188 PolarHBondContact O-N 3.36Å; D186-K249 IonicContact OD1-NZ 2.79Å; D186-K249 PolarHBondContact OD1-NZ 3.25Å
187I98.5Very high98.3Very high36 Ų3637.6 Ų37.619%0.18519%0.191CC..  trans-75.3120.2172-52.2-57.9000108.3V155 G182 D183 H185 E191 C192V155-I187 HydrophobicContact CG1-CB 4.31Å; V155-I187 HydrophobicContact CG1-CG1 4.3Å; V155-I187 HydrophobicContact CG1-CG2 4.21Å; G182-I187 CarbonylContact C-O 3.53Å; G182-I187 WeakPolarHBondContact CA-O 3.26Å; D183-I187 PolarHBondContact N-O 2.99Å; D183-I187 VanDerWaalsContact OD1-CB 3.29Å; D183-I187 WeakPolarHBondContact OD1-CB 3.33Å; D183-I187 WeakPolarHBondContact OD1-CG1 3.43Å; D183-I187 PolarHBondContact OD1-N 3.28Å; H185-I187 HydrophobicContact CB-CG1 4.24Å; H185-I187 PolarHBondContact O-N 2.93Å; I187-E191 HydrophobicContact CG2-CB 3.72Å; I187-E191 HydrophobicContact CG2-CG 3.64Å; I187-C192 PolarHBondContact O-SG 3.04Å; I187-C192 VanDerWaalsContact O-SG 3.4Å
188T98.8Very high98.3Very high75 Ų7544.8 Ų44.846%0.4622%0.222SC..  trans-58.4150.1-176.767.60000111.7D186 G190 E191 C192D186-T188 PolarHBondContact O-N 3.36Å; T188-G190 PolarHBondContact O-N 3.48Å; T188-G190 VanDerWaalsContact O-N 3.15Å; T188-E191 PolarHBondContact O-N 3Å; T188-E191 PolarHBondContact OG1-N 3.18Å; T188-C192 PolarHBondContact O-N 3.34Å; T188-C192 PolarHBondContact O-SG 3.26Å; T188-C192 VanDerWaalsContact O-SG 3.36Å
189P98.8Very high98.3Very high4 Ų445.5 Ų45.53%0.02623%0.229CC..Hα-helixtrans-55.4-37.9179.1-26.535.4000113.2C192 A193 T218 L221 M222P189-C192 WeakPolarHBondContact O-CB 3.27Å; P189-C192 PolarHBondContact O-N 3.17Å; P189-A193 PolarHBondContact O-N 3.42Å; P189-T218 HydrophobicContact CB-CG2 3.69Å; P189-T218 HydrophobicContact CG-CG2 3.78Å; P189-L221 HydrophobicContact CB-CB 3.98Å; P189-L221 HydrophobicContact CG-CB 4.26Å; P189-L221 HydrophobicContact CG-CD1 4.09Å; P189-M222 HydrophobicContact CB-CE 4.37Å; P189-M222 HydrophobicContact CB-CG 3.77Å; P189-M222 WeakPolarHBondContact O-CG 3.3Å
190G98.9Very high98.3Very high3 Ų346.7 Ų46.73%0.03124%0.241CC..Hα-helixtrans-61.2-45.117600000113.3T188 V194 L221T188-G190 PolarHBondContact O-N 3.48Å; T188-G190 VanDerWaalsContact O-N 3.15Å; G190-V194 VanDerWaalsContact O-CG2 3.32Å; G190-V194 WeakPolarHBondContact O-CG2 3.49Å; G190-V194 PolarHBondContact O-N 2.88Å; G190-V194 VanDerWaalsContact O-N 3.17Å; G190-L221 WeakPolarHBondContact CA-O 3.21Å
191E98.9Very high98.3Very high84 Ų8444.6 Ų44.639%0.39323%0.228SC..Hα-helixtrans-67.2-38.2174.7-179.1172.717200111.5I187 T188 A193 V194 R195I187-E191 HydrophobicContact CG2-CB 3.72Å; I187-E191 HydrophobicContact CG2-CG 3.64Å; T188-E191 PolarHBondContact O-N 3Å; T188-E191 PolarHBondContact OG1-N 3.18Å; E191-A193 PolarHBondContact O-N 3.24Å; E191-V194 PolarHBondContact O-N 3.01Å; E191-R195 HydrophobicContact CG-CG 4.39Å; E191-R195 WeakPolarHBondContact O-CG 3.22Å; E191-R195 PolarHBondContact O-N 3.32Å; E191-R195 IonicContact OE1-CZ 3.47Å; E191-R195 IonicContact OE1-NE 3.54Å; E191-R195 PolarHBondContact OE1-NE 3.3Å; E191-R195 IonicContact OE1-NH2 2.77Å
192C98.9Very high98.4Very high0 Ų040.5 Ų40.50%021%0.213CC..Hα-helixtrans-56.6-52.3175.3-67.90000111.4V155 M176 I178 I187 T188 P189 V194 R195 L196V155-C192 HydrophobicContact CB-CB 4.25Å; V155-C192 HydrophobicContact CG2-CB 4.01Å; M176-C192 HydrophobicContact SD-CB 3.75Å; I178-C192 HydrophobicContact CD1-CB 4.34Å; I187-C192 PolarHBondContact O-SG 3.04Å; I187-C192 VanDerWaalsContact O-SG 3.4Å; T188-C192 PolarHBondContact O-N 3.34Å; T188-C192 PolarHBondContact O-SG 3.26Å; T188-C192 VanDerWaalsContact O-SG 3.36Å; P189-C192 WeakPolarHBondContact O-CB 3.27Å; P189-C192 PolarHBondContact O-N 3.17Å; C192-V194 VanDerWaalsContact C-N 3.31Å; C192-V194 PolarHBondContact O-N 3.35Å; C192-R195 PolarHBondContact O-N 2.96Å; C192-L196 VanDerWaalsContact O-CG 3.22Å; C192-L196 WeakPolarHBondContact O-CG 3.29Å; C192-L196 PolarHBondContact O-N 2.68Å
193A98.9Very high98.4Very high0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-57.7-42.9178.100000112.3P189 E191 R195 L196 V197 V204 M222 L226P189-A193 PolarHBondContact O-N 3.42Å; E191-A193 PolarHBondContact O-N 3.24Å; A193-R195 PolarHBondContact O-N 3.11Å; A193-L196 PolarHBondContact O-N 2.96Å; A193-V197 WeakPolarHBondContact O-CG2 3.44Å; A193-V197 PolarHBondContact O-N 3.08Å; A193-V204 HydrophobicContact CB-CG2 4.49Å; A193-M222 HydrophobicContact CB-CB 3.84Å; A193-M222 HydrophobicContact CB-CG 4Å; A193-M222 HydrophobicContact CB-SD 4.44Å; A193-L226 HydrophobicContact CB-CD1 4.32Å; A193-L226 HydrophobicContact CB-CD2 4Å; A193-L226 HydrophobicContact CB-CG 3.95Å
194V98.9Very high98.5Very high22 Ų2240.4 Ų40.413%0.13321%0.212CC..Hα-helixtrans-60.5-45.6177.1167.60000111.8G190 E191 C192 K198 G225 L226 A229 L231G190-V194 VanDerWaalsContact O-CG2 3.32Å; G190-V194 WeakPolarHBondContact O-CG2 3.49Å; G190-V194 PolarHBondContact O-N 2.88Å; G190-V194 VanDerWaalsContact O-N 3.17Å; E191-V194 PolarHBondContact O-N 3.01Å; C192-V194 VanDerWaalsContact C-N 3.31Å; C192-V194 PolarHBondContact O-N 3.35Å; V194-K198 HydrophobicContact CG1-CD 4.15Å; V194-K198 WeakPolarHBondContact O-CB 3.26Å; V194-K198 WeakPolarHBondContact O-CG 3.4Å; V194-K198 PolarHBondContact O-N 3.4Å; V194-G225 WeakPolarHBondContact CG2-O 3.42Å; V194-L226 HydrophobicContact CG2-CD2 4.31Å; V194-A229 HydrophobicContact CG1-CB 4.31Å; V194-A229 HydrophobicContact CG2-CB 3.61Å; V194-L231 HydrophobicContact CB-CD1 4.35Å; V194-L231 HydrophobicContact CG1-CD1 3.9Å; V194-L231 HydrophobicContact CG2-CD1 4.33Å
195R98.9Very high98.6Very high108 Ų10837.9 Ų37.941%0.40820%0.199SC..Hα-helixtrans-62.4-44.3178.3-75.3177.9158.8-134.2-10.4111.5V155 V159 E191 C192 A193 K198 A199V155-R195 HydrophobicContact CG2-CB 4.05Å; V159-R195 HydrophobicContact CG2-CB 4.09Å; E191-R195 HydrophobicContact CG-CG 4.39Å; E191-R195 WeakPolarHBondContact O-CG 3.22Å; E191-R195 PolarHBondContact O-N 3.32Å; E191-R195 IonicContact OE1-CZ 3.47Å; E191-R195 IonicContact OE1-NE 3.54Å; E191-R195 PolarHBondContact OE1-NE 3.3Å; E191-R195 IonicContact OE1-NH2 2.77Å; C192-R195 PolarHBondContact O-N 2.96Å; A193-R195 PolarHBondContact O-N 3.11Å; R195-K198 PolarHBondContact O-N 3.37Å; R195-A199 WeakPolarHBondContact O-CB 3.29Å; R195-A199 PolarHBondContact O-N 3.5Å
196L98.9Very high98.7Very high0 Ų034.2 Ų34.20%018%0.183CC..Hα-helixtrans-63.8-43.3179.7-68.3172.9000112.8V155 A158 V159 V162 V174 M176 C192 A193 A199 G200 A201 V204V155-L196 HydrophobicContact CG2-CD2 4.13Å; V155-L196 HydrophobicContact CG2-CG 4.05Å; A158-L196 HydrophobicContact CB-CD2 3.72Å; V159-L196 HydrophobicContact CG2-CD2 4.24Å; V162-L196 HydrophobicContact CG2-CD2 4.3Å; V174-L196 HydrophobicContact CG1-CB 3.8Å; V174-L196 HydrophobicContact CG1-CD1 3.9Å; V174-L196 HydrophobicContact CG1-CD2 4Å; V174-L196 HydrophobicContact CG1-CG 4.09Å; V174-L196 HydrophobicContact CG2-CD1 4.12Å; V174-L196 HydrophobicContact CG2-CD2 3.78Å; V174-L196 HydrophobicContact CG2-CG 4.49Å; M176-L196 HydrophobicContact CG-CD1 4.08Å; M176-L196 HydrophobicContact SD-CD1 3.92Å; C192-L196 VanDerWaalsContact O-CG 3.22Å; C192-L196 WeakPolarHBondContact O-CG 3.29Å; C192-L196 PolarHBondContact O-N 2.68Å; A193-L196 PolarHBondContact O-N 2.96Å; L196-A199 PolarHBondContact O-N 2.85Å; L196-G200 PolarHBondContact O-N 3.12Å; L196-A201 WeakPolarHBondContact O-CB 3.25Å; L196-A201 PolarHBondContact O-N 3.21Å; L196-V204 HydrophobicContact CB-CG1 4.08Å
197V98.9Very high98.8Very high21 Ų2128.6 Ų28.613%0.12715%0.153CC..Hα-helixtrans-65.8-41.7175.1174.60000111.1A193 A199 G200 V204 L226 L231 A233A193-V197 WeakPolarHBondContact O-CG2 3.44Å; A193-V197 PolarHBondContact O-N 3.08Å; V197-A199 VanDerWaalsContact C-N 3.27Å; V197-A199 PolarHBondContact O-N 2.73Å; V197-G200 WeakPolarHBondContact O-CA 3.5Å; V197-G200 PolarHBondContact O-N 3.01Å; V197-V204 HydrophobicContact CG2-CG1 3.65Å; V197-V204 HydrophobicContact CG2-CG2 4.24Å; V197-L226 HydrophobicContact CB-CD2 4.23Å; V197-L226 HydrophobicContact CG2-CD2 3.62Å; V197-L231 HydrophobicContact CB-CD1 4.39Å; V197-L231 HydrophobicContact CG1-CB 4.29Å; V197-L231 HydrophobicContact CG1-CD1 4.28Å; V197-A233 HydrophobicContact CG2-CB 3.51Å
198K98.8Very high98.8Very high154 Ų15427.1 Ų27.167%0.6715%0.145SC*.Hα-helixtrans-63.5-32.1175.9-76.5-179.5177.1-179.50113V194 R195 G200 L231V194-K198 HydrophobicContact CG1-CD 4.15Å; V194-K198 WeakPolarHBondContact O-CB 3.26Å; V194-K198 WeakPolarHBondContact O-CG 3.4Å; V194-K198 PolarHBondContact O-N 3.4Å; R195-K198 PolarHBondContact O-N 3.37Å; K198-G200 PolarHBondContact O-N 3.32Å; K198-L231 HydrophobicContact CG-CD1 4.13Å
199A98.7Very high98.7Very high21 Ų2124.1 Ų24.117%0.17413%0.126CC..THydrogen-bonded Turntrans-69.6-14.5172.900000112.9V159 V162 E163 R195 L196 V197V159-A199 HydrophobicContact CB-CB 4.47Å; V159-A199 HydrophobicContact CG1-CB 3.99Å; V159-A199 HydrophobicContact CG2-CB 4.31Å; V162-A199 HydrophobicContact CB-CB 4.04Å; V162-A199 HydrophobicContact CG1-CB 3.74Å; V162-A199 WeakPolarHBondContact CG1-O 3.39Å; E163-A199 HydrophobicContact CG-CB 4.48Å; R195-A199 WeakPolarHBondContact O-CB 3.29Å; R195-A199 PolarHBondContact O-N 3.5Å; L196-A199 PolarHBondContact O-N 2.85Å; V197-A199 VanDerWaalsContact C-N 3.27Å; V197-A199 PolarHBondContact O-N 2.73Å
200G98.4Very high98.7Very high27 Ų2724.3 Ų24.328%0.27813%0.126SC..THydrogen-bonded Turntrans117.16.5172.100000115.2L196 V197 K198L196-G200 PolarHBondContact O-N 3.12Å; V197-G200 WeakPolarHBondContact O-CA 3.5Å; V197-G200 PolarHBondContact O-N 3.01Å; K198-G200 PolarHBondContact O-N 3.32Å
201A98.7Very high98.7Very high4 Ų424.4 Ų24.43%0.03313%0.127CC..  trans-69133.2176.500000111.7V162 V174 L196 V204V162-A201 HydrophobicContact CG1-CB 4.13Å; V162-A201 HydrophobicContact CG2-CB 4.27Å; V174-A201 HydrophobicContact CB-CB 4.46Å; V174-A201 HydrophobicContact CG1-CB 3.44Å; V174-A201 VanDerWaalsContact CG1-CB 3.44Å; L196-A201 WeakPolarHBondContact O-CB 3.25Å; L196-A201 PolarHBondContact O-N 3.21Å; A201-V204 HydrophobicContact CB-CG1 3.97Å
202S98.6Very high98.7Very high39 Ų3921.1 Ų21.127%0.27311%0.113SC..SBendtrans-92.7-20.2177.5-50.50000112.6V172 H234V172-S202 PolarHBondContact O-N 3.38Å; S202-H234 PolarHBondContact O-N 2.91Å
203I98.9Very high98.6Very high0 Ų026.7 Ų26.70%014%0.139CC..EExtended strand (participates in β ladder)trans-130.5127.3-179.4-50.7168.2000107.2I13 L14 L17 V172 A173 V174 H234 M236I13-I203 HydrophobicContact CD1-CD1 4.46Å; I13-I203 HydrophobicContact CG1-CD1 3.62Å; L14-I203 HydrophobicContact CD2-CD1 4.44Å; L14-I203 HydrophobicContact CD2-CG1 4.37Å; L17-I203 HydrophobicContact CD1-CD1 3.5Å; L17-I203 HydrophobicContact CD1-CG1 3.82Å; V172-I203 PolarHBondContact O-N 2.63Å; A173-I203 CarbonylContact C-O 3.6Å; A173-I203 VanDerWaalsContact CA-O 3.29Å; A173-I203 WeakPolarHBondContact CA-O 3.2Å; A173-I203 HydrophobicContact CB-CB 3.7Å; A173-I203 HydrophobicContact CB-CD1 4.12Å; A173-I203 HydrophobicContact CB-CG1 4.42Å; A173-I203 HydrophobicContact CB-CG2 4.07Å; V174-I203 PolarHBondContact N-O 3.31Å; I203-H234 CarbonylContact C-O 3.57Å; I203-H234 VanDerWaalsContact CA-O 3.32Å; I203-H234 WeakPolarHBondContact CA-O 3.44Å; I203-H234 HydrophobicContact CB-CB 4.47Å; I203-H234 HydrophobicContact CG1-CB 4.11Å; I203-H234 HydrophobicContact CG2-CB 4.34Å; I203-M236 HydrophobicContact CG2-CB 3.57Å; I203-M236 HydrophobicContact CG2-CG 4.37Å; I203-M236 HydrophobicContact CG2-SD 3.92Å
204V98.9Very high98.6Very high0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-133151.4-178.1-60.10000112.2V174 A193 L196 V197 A201 L226 A233 H234 L235 M236V174-V204 HydrophobicContact CG1-CB 4.48Å; V174-V204 HydrophobicContact CG1-CG1 3.84Å; V174-V204 CarbonylContact O-C 3.48Å; V174-V204 VanDerWaalsContact O-CA 3.27Å; V174-V204 WeakPolarHBondContact O-CA 3.48Å; A193-V204 HydrophobicContact CB-CG2 4.49Å; L196-V204 HydrophobicContact CB-CG1 4.08Å; V197-V204 HydrophobicContact CG2-CG1 3.65Å; V197-V204 HydrophobicContact CG2-CG2 4.24Å; A201-V204 HydrophobicContact CB-CG1 3.97Å; V204-L226 HydrophobicContact CG2-CD1 3.83Å; V204-A233 HydrophobicContact CG2-CB 4Å; V204-H234 PolarHBondContact N-O 3.2Å; V204-L235 HydrophobicContact CG2-CD2 4.31Å; V204-L235 WeakPolarHBondContact O-CA 3.45Å; V204-M236 PolarHBondContact O-N 3.35Å
205G98.9Very high98.6Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans167.7-138.3166.300000114.9V174 T175 M176 M219 M236V174-G205 PolarHBondContact O-N 3.47Å; T175-G205 VanDerWaalsContact CA-O 3.26Å; T175-G205 WeakPolarHBondContact CA-O 3.19Å; M176-G205 PolarHBondContact N-O 2.84Å; G205-M219 WeakPolarHBondContact CA-SD 3.19Å; G205-M236 VanDerWaalsContact CA-O 3.26Å; G205-M236 WeakPolarHBondContact CA-O 3.39Å
206V98.9Very high98.6Very high2 Ų222.7 Ų22.71%0.01213%0.126CC..EExtended strand (participates in β ladder)trans-132.8148.2-175.5-58.50000113.7M176 T218 M219 M222 M236 V237 Q238M176-V206 CarbonylContact O-C 3.37Å; M176-V206 WeakPolarHBondContact O-CA 3.21Å; M176-V206 VanDerWaalsContact O-CB 3.31Å; M176-V206 WeakPolarHBondContact O-CB 3.5Å; V206-T218 HydrophobicContact CG1-CG2 3.61Å; V206-M219 HydrophobicContact CB-SD 4.44Å; V206-M219 HydrophobicContact CG1-SD 4.35Å; V206-M219 HydrophobicContact CG2-CG 3.98Å; V206-M219 HydrophobicContact CG2-SD 3.86Å; V206-M222 HydrophobicContact CG1-CE 3.46Å; V206-M222 VanDerWaalsContact CG1-CE 3.46Å; V206-M222 HydrophobicContact CG1-SD 3.81Å; V206-M236 PolarHBondContact N-O 3.34Å; V206-V237 HydrophobicContact CG2-CG2 3.87Å; V206-V237 WeakPolarHBondContact O-CA 3.31Å; V206-Q238 PolarHBondContact O-N 3.03Å
207N98.9Very high98.6Very high1 Ų127.2 Ų27.21%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-140.8157.7173.778.3-58.2000112.1E150 Y151 T175 M176 C177 Q238E150-N207 PolarHBondContact OE2-ND2 3.17Å; E150-N207 VanDerWaalsContact OE2-ND2 3.12Å; Y151-N207 PolarHBondContact N-OD1 3.48Å; T175-N207 WeakPolarHBondContact CB-OD1 3.31Å; T175-N207 PolarHBondContact O-OD1 3.49Å; T175-N207 WeakPolarHBondContact OG1-CB 3.25Å; T175-N207 PolarHBondContact OG1-OD1 2.8Å; M176-N207 PolarHBondContact O-N 3.1Å; C177-N207 WeakPolarHBondContact CA-O 3.28Å; C177-N207 VanDerWaalsContact CB-O 3.28Å; C177-N207 WeakPolarHBondContact CB-O 3.13Å; N207-Q238 CarbonylContact C-O 3.59Å; N207-Q238 WeakPolarHBondContact CA-O 3.29Å; N207-Q238 HydrophobicContact CB-CB 3.89Å
208C98Very high98.6Very high4 Ų426.2 Ų26.23%0.02714%0.139CC..SBendtrans60.1-170174.2-153.60000113.8Y151 C177 F210 Q238 C290Y151-C208 HydrophobicContact CD2-CB 3.81Å; Y151-C208 HydrophobicContact CE2-CB 4.09Å; C177-C208 HydrophobicContact CB-CB 4.27Å; C208-F210 PolarHBondContact O-N 2.89Å; C208-Q238 PolarHBondContact N-O 3.46Å; C208-C290 HydrophobicContact CB-CB 4.24Å; C208-C290 WeakPolarHBondContact CB-SG 3.38Å; C208-C290 VanDerWaalsContact SG-SG 3.68Å
209R97Very high98.6Very high13 Ų1318.9 Ų18.95%0.04911%0.108CC..SBendtrans52.6-30.3176-79.3-171.2172.7-156.28.6119.6E153 C177 L240 E250 G251 F252E153-R209 IonicContact OE1-CZ 2.81Å; E153-R209 IonicContact OE1-NH1 2.69Å; E153-R209 PolarHBondContact OE1-NH1 3.09Å; E153-R209 IonicContact OE1-NH2 2.66Å; E153-R209 PolarHBondContact OE1-NH2 2.82Å; E153-R209 IonicContact OE2-NH2 3.43Å; C177-R209 HydrophobicContact CB-CB 4.26Å; C177-R209 HydrophobicContact CB-CG 4.03Å; C177-R209 WeakPolarHBondContact O-CD 3.44Å; R209-L240 VanDerWaalsContact O-CD1 3.3Å; R209-L240 WeakPolarHBondContact O-CD1 3.24Å; R209-E250 VanDerWaalsContact CD-O 3.29Å; R209-E250 WeakPolarHBondContact CD-O 3.31Å; R209-E250 PolarHBondContact NE-O 3.46Å; R209-E250 PolarHBondContact NH1-O 2.82Å; R209-E250 IonicContact NH1-OE2 3.24Å; R209-E250 PolarHBondContact NH1-OE2 2.91Å; R209-G251 WeakPolarHBondContact O-CA 3.36Å; R209-F252 HydrophobicContact CG-CD1 4.35Å; R209-F252 HydrophobicContact CG-CE1 4.45Å; R209-F252 PolarHBondContact O-N 3.45Å
210F98.8Very high98.6Very high8 Ų822.7 Ų22.74%0.03512%0.122CC..SBendtrans-128.8143.1-175.5-58.6-80.5000110.5C208 T214 S215 L240 C247 G248 K249C208-F210 PolarHBondContact O-N 2.89Å; F210-T214 HydrophobicContact CB-CG2 3.91Å; F210-T214 HydrophobicContact CD1-CG2 3.64Å; F210-T214 HydrophobicContact CE1-CG2 4.44Å; F210-T214 HydrophobicContact CG-CG2 3.92Å; F210-S215 PolarHBondContact O-OG 2.68Å; F210-L240 WeakPolarHBondContact O-CB 3.5Å; F210-L240 PolarHBondContact O-N 2.84Å; F210-C247 HydrophobicContact CE1-CB 4.46Å; F210-G248 WeakPolarHBondContact CE1-O 3.41Å; F210-K249 WeakPolarHBondContact CZ-O 3.42Å
211G98.5Very high98.6Very high4 Ų424.1 Ų24.14%0.04112%0.123CC..  trans-66.7172172.100000113.2E213 T214 S215 F242 T244G211-E213 PolarHBondContact O-N 3.04Å; G211-T214 PolarHBondContact O-N 3.26Å; G211-S215 PolarHBondContact O-N 3.28Å; G211-S215 VanDerWaalsContact O-N 3.08Å; G211-S215 PolarHBondContact O-OG 2.52Å; G211-F242 VanDerWaalsContact CA-O 3.27Å; G211-F242 WeakPolarHBondContact CA-O 3.49Å; G211-T244 PolarHBondContact N-OG1 3.46Å
212P98.6Very high98.6Very high15 Ų1524 Ų2410%0.09712%0.121CC..Hα-helixtrans-56.3-42.9-168.7-28.236.5000115.2S215 L216 P239 L240 I272 Y275P212-S215 PolarHBondContact O-N 2.85Å; P212-L216 WeakPolarHBondContact O-CG 3.41Å; P212-L216 PolarHBondContact O-N 2.89Å; P212-P239 HydrophobicContact CB-CB 4.38Å; P212-P239 HydrophobicContact CB-CG 4.12Å; P212-P239 HydrophobicContact CG-CB 4.25Å; P212-P239 HydrophobicContact CG-CG 3.99Å; P212-L240 WeakPolarHBondContact CD-O 3.47Å; P212-I272 HydrophobicContact CG-CD1 4.42Å; P212-Y275 HydrophobicContact CB-CD2 3.66Å; P212-Y275 HydrophobicContact CB-CG 3.79Å; P212-Y275 HydrophobicContact CG-CG 4.39Å
213E98.1Very high98.7Very high118 Ų11825 Ų2555%0.55112%0.121SC*.Hα-helixtrans-61.6-50.1-178.6-174.3-173.5152.500111.9G211 L216 K217G211-E213 PolarHBondContact O-N 3.04Å; E213-L216 PolarHBondContact O-N 3.13Å; E213-K217 PolarHBondContact O-N 3.4Å; E213-K217 VanDerWaalsContact O-N 3.16Å; E213-K217 WeakPolarHBondContact OE1-CE 3.29Å; E213-K217 IonicContact OE1-NZ 3.63Å; E213-K217 PolarHBondContact OE1-NZ 3.17Å
214T98.6Very high98.7Very high31 Ų3128.4 Ų28.419%0.1914%0.137CC..Hα-helixtrans-66.2-40-179.1-59.20000111.2P180 F210 G211 L216 K217 T218P180-T214 HydrophobicContact CG-CG2 4.11Å; F210-T214 HydrophobicContact CB-CG2 3.91Å; F210-T214 HydrophobicContact CD1-CG2 3.64Å; F210-T214 HydrophobicContact CE1-CG2 4.44Å; F210-T214 HydrophobicContact CG-CG2 3.92Å; G211-T214 PolarHBondContact O-N 3.26Å; T214-L216 VanDerWaalsContact C-N 3.33Å; T214-L216 PolarHBondContact O-N 3.1Å; T214-K217 PolarHBondContact O-N 3.06Å; T214-T218 PolarHBondContact O-N 3.35Å; T214-T218 VanDerWaalsContact O-N 3.09Å; T214-T218 PolarHBondContact O-OG1 3.35Å
215S98.8Very high98.6Very high1 Ų128.6 Ų28.61%0.00714%0.139CC..Hα-helixtrans-61.4-39.9175.5-61.30000112.5F210 G211 P212 T218 M219 P239F210-S215 PolarHBondContact O-OG 2.68Å; G211-S215 PolarHBondContact O-N 3.28Å; G211-S215 VanDerWaalsContact O-N 3.08Å; G211-S215 PolarHBondContact O-OG 2.52Å; P212-S215 PolarHBondContact O-N 2.85Å; S215-T218 PolarHBondContact O-N 3.45Å; S215-M219 WeakPolarHBondContact O-CG 3.32Å; S215-M219 PolarHBondContact O-N 3.35Å; S215-P239 WeakPolarHBondContact OG-CB 3.48Å
216L98.9Very high98.6Very high14 Ų1429 Ų297%0.07314%0.141CC..Hα-helixtrans-68-35.2177.6-70.2-177.6000113P212 E213 T214 T218 M219 E220 V237 Y275 E278 A279 L282P212-L216 WeakPolarHBondContact O-CG 3.41Å; P212-L216 PolarHBondContact O-N 2.89Å; E213-L216 PolarHBondContact O-N 3.13Å; T214-L216 VanDerWaalsContact C-N 3.33Å; T214-L216 PolarHBondContact O-N 3.1Å; L216-T218 VanDerWaalsContact C-N 3.34Å; L216-M219 WeakPolarHBondContact O-CB 3.47Å; L216-M219 PolarHBondContact O-N 3.23Å; L216-E220 PolarHBondContact O-N 3.15Å; L216-V237 HydrophobicContact CD2-CG1 4.22Å; L216-V237 HydrophobicContact CD2-CG2 4.44Å; L216-Y275 HydrophobicContact CD1-CD2 4.04Å; L216-Y275 HydrophobicContact CD2-CD2 4.46Å; L216-Y275 HydrophobicContact CD2-CE2 4.27Å; L216-Y275 HydrophobicContact CG-CD2 4.25Å; L216-Y275 HydrophobicContact CG-CE2 4.47Å; L216-E278 HydrophobicContact CD1-CB 3.53Å; L216-A279 HydrophobicContact CD2-CB 3.77Å; L216-L282 HydrophobicContact CD2-CD2 4.27Å
217K98.8Very high98.6Very high95 Ų9534.6 Ų34.641%0.41317%0.167SC..Hα-helixtrans-61-43.4170.6-67.8172.7-174166.50111.4P180 E213 T214 M219 E220 L221P180-K217 HydrophobicContact CG-CB 4.03Å; E213-K217 PolarHBondContact O-N 3.4Å; E213-K217 VanDerWaalsContact O-N 3.16Å; E213-K217 WeakPolarHBondContact OE1-CE 3.29Å; E213-K217 IonicContact OE1-NZ 3.63Å; E213-K217 PolarHBondContact OE1-NZ 3.17Å; T214-K217 PolarHBondContact O-N 3.06Å; K217-M219 VanDerWaalsContact C-N 3.32Å; K217-M219 PolarHBondContact O-N 3Å; K217-E220 PolarHBondContact O-N 3.14Å; K217-L221 PolarHBondContact O-N 3.49Å
218T98.9Very high98.6Very high0 Ų042.9 Ų42.90%020%0.198CC..Hα-helixtrans-62.6-40.7174.4-49.40000111.5I178 P180 P189 V206 T214 S215 L216 E220 L221 M222I178-T218 HydrophobicContact CG1-CG2 4.41Å; P180-T218 WeakPolarHBondContact CD-OG1 3.13Å; P189-T218 HydrophobicContact CB-CG2 3.69Å; P189-T218 HydrophobicContact CG-CG2 3.78Å; V206-T218 HydrophobicContact CG1-CG2 3.61Å; T214-T218 PolarHBondContact O-N 3.35Å; T214-T218 VanDerWaalsContact O-N 3.09Å; T214-T218 PolarHBondContact O-OG1 3.35Å; S215-T218 PolarHBondContact O-N 3.45Å; L216-T218 VanDerWaalsContact C-N 3.34Å; T218-E220 VanDerWaalsContact C-N 3.33Å; T218-E220 PolarHBondContact O-N 2.7Å; T218-L221 PolarHBondContact O-N 2.8Å; T218-M222 HydrophobicContact CG2-CE 4.29Å; T218-M222 WeakPolarHBondContact O-CG 3.4Å; T218-M222 PolarHBondContact O-N 3.01Å
219M98.9Very high98.6Very high0 Ų045.1 Ų45.10%022%0.217CC..Hα-helixtrans-63-37.1177.4-72.4-54.4-62.700113G205 V206 S215 L216 K217 M222 K223 L235 M236 V237 L282 V284G205-M219 WeakPolarHBondContact CA-SD 3.19Å; V206-M219 HydrophobicContact CB-SD 4.44Å; V206-M219 HydrophobicContact CG1-SD 4.35Å; V206-M219 HydrophobicContact CG2-CG 3.98Å; V206-M219 HydrophobicContact CG2-SD 3.86Å; S215-M219 WeakPolarHBondContact O-CG 3.32Å; S215-M219 PolarHBondContact O-N 3.35Å; L216-M219 WeakPolarHBondContact O-CB 3.47Å; L216-M219 PolarHBondContact O-N 3.23Å; K217-M219 VanDerWaalsContact C-N 3.32Å; K217-M219 PolarHBondContact O-N 3Å; M219-M222 PolarHBondContact O-N 2.73Å; M219-M222 HydrophobicContact SD-SD 4.2Å; M219-K223 VanDerWaalsContact O-CB 3.32Å; M219-K223 WeakPolarHBondContact O-CB 3.45Å; M219-K223 PolarHBondContact O-N 3.39Å; M219-L235 HydrophobicContact CE-CB 3.7Å; M219-L235 HydrophobicContact CE-CD1 4.49Å; M219-L235 HydrophobicContact CE-CD2 3.94Å; M219-L235 HydrophobicContact CE-CG 4.24Å; M219-M236 WeakPolarHBondContact CE-O 3.31Å; M219-M236 VanDerWaalsContact SD-O 3.36Å; M219-V237 HydrophobicContact CG-CB 3.98Å; M219-V237 HydrophobicContact CG-CG2 3.79Å; M219-V237 HydrophobicContact SD-CB 4.36Å; M219-V237 HydrophobicContact SD-CG2 4.48Å; M219-L282 HydrophobicContact CB-CD2 3.72Å; M219-V284 HydrophobicContact CE-CG2 4.44Å
220E98.9Very high98.7Very high100 Ų10047.8 Ų47.847%0.46725%0.248SC..Hα-helixtrans-60.6-48.6173.7-174.3169.8-149.200110.6L216 K217 T218 M222 K223 E224 L282L216-E220 PolarHBondContact O-N 3.15Å; K217-E220 PolarHBondContact O-N 3.14Å; T218-E220 VanDerWaalsContact C-N 3.33Å; T218-E220 PolarHBondContact O-N 2.7Å; E220-M222 PolarHBondContact O-N 2.97Å; E220-K223 WeakPolarHBondContact O-CB 3.35Å; E220-K223 PolarHBondContact O-N 3.4Å; E220-E224 WeakPolarHBondContact O-CG 3.39Å; E220-E224 PolarHBondContact O-N 3.46Å; E220-L282 HydrophobicContact CB-CD1 4.15Å; E220-L282 HydrophobicContact CB-CD2 4.5Å; E220-L282 HydrophobicContact CG-CD1 4.32Å
221L98.9Very high98.7Very high58 Ų5849.8 Ų49.830%0.30426%0.259SS..Hα-helixtrans-62-39.9176.7-64.8172.2000113.1P180 P189 G190 K217 T218 G225P180-L221 HydrophobicContact CB-CD1 3.84Å; P189-L221 HydrophobicContact CB-CB 3.98Å; P189-L221 HydrophobicContact CG-CB 4.26Å; P189-L221 HydrophobicContact CG-CD1 4.09Å; G190-L221 WeakPolarHBondContact CA-O 3.21Å; K217-L221 PolarHBondContact O-N 3.49Å; T218-L221 PolarHBondContact O-N 2.8Å; L221-G225 PolarHBondContact O-N 3.06Å
222M98.9Very high98.6Very high0 Ų059.1 Ų59.10%030%0.299CS..Hα-helixtrans-61.4-48.3174.1-75-168.5168.800111.2I178 P189 A193 V206 T218 M219 E220 G225 L226I178-M222 HydrophobicContact CD1-CE 4.06Å; I178-M222 HydrophobicContact CG1-CE 4.32Å; P189-M222 HydrophobicContact CB-CE 4.37Å; P189-M222 HydrophobicContact CB-CG 3.77Å; P189-M222 WeakPolarHBondContact O-CG 3.3Å; A193-M222 HydrophobicContact CB-CB 3.84Å; A193-M222 HydrophobicContact CB-CG 4Å; A193-M222 HydrophobicContact CB-SD 4.44Å; V206-M222 HydrophobicContact CG1-CE 3.46Å; V206-M222 VanDerWaalsContact CG1-CE 3.46Å; V206-M222 HydrophobicContact CG1-SD 3.81Å; T218-M222 HydrophobicContact CG2-CE 4.29Å; T218-M222 WeakPolarHBondContact O-CG 3.4Å; T218-M222 PolarHBondContact O-N 3.01Å; M219-M222 PolarHBondContact O-N 2.73Å; M219-M222 HydrophobicContact SD-SD 4.2Å; E220-M222 PolarHBondContact O-N 2.97Å; M222-G225 PolarHBondContact O-N 3.47Å; M222-L226 WeakPolarHBondContact O-CG 3.44Å; M222-L226 PolarHBondContact O-N 3.41Å; M222-L226 VanDerWaalsContact O-N 3.08Å
223K98.9Very high98.6Very high61 Ų6159.8 Ų59.827%0.26531%0.305SS..Hα-helixtrans-59.2-48.8178.7179.3-176.5174.6-174.60111.4M219 E220 G225 L226 E227 L235 L282M219-K223 VanDerWaalsContact O-CB 3.32Å; M219-K223 WeakPolarHBondContact O-CB 3.45Å; M219-K223 PolarHBondContact O-N 3.39Å; E220-K223 WeakPolarHBondContact O-CB 3.35Å; E220-K223 PolarHBondContact O-N 3.4Å; K223-G225 VanDerWaalsContact C-N 3.28Å; K223-G225 PolarHBondContact O-N 3.3Å; K223-L226 PolarHBondContact O-N 3.02Å; K223-E227 WeakPolarHBondContact CE-OE1 3.39Å; K223-E227 WeakPolarHBondContact O-CG 3.06Å; K223-E227 PolarHBondContact O-N 2.98Å; K223-L235 HydrophobicContact CB-CD1 4.01Å; K223-L235 HydrophobicContact CD-CD1 4Å; K223-L235 HydrophobicContact CG-CD1 4.05Å; K223-L282 HydrophobicContact CD-CD1 4.35Å; K223-L282 PolarHBondContact NZ-O 2.96Å
224E98.8Very high98.7Very high71 Ų7156.4 Ų56.433%0.33229%0.289SS..Hα-helixtrans-60-38.7177-70-180-176.600112.5E220 E227 R228E220-E224 WeakPolarHBondContact O-CG 3.39Å; E220-E224 PolarHBondContact O-N 3.46Å; E224-E227 PolarHBondContact O-N 3.35Å; E224-R228 WeakPolarHBondContact O-CB 3.36Å; E224-R228 WeakPolarHBondContact O-CG 3.22Å; E224-R228 PolarHBondContact O-N 2.99Å; E224-R228 IonicContact OE2-NH1 3.65Å; E224-R228 PolarHBondContact OE2-NH1 3.33Å
225G98.8Very high98.7Very high5 Ų555.6 Ų55.65%0.05228%0.284CS..Hα-helixtrans-60-45.2175.900000112.4V194 L221 M222 K223 A229V194-G225 WeakPolarHBondContact CG2-O 3.42Å; L221-G225 PolarHBondContact O-N 3.06Å; M222-G225 PolarHBondContact O-N 3.47Å; K223-G225 VanDerWaalsContact C-N 3.28Å; K223-G225 PolarHBondContact O-N 3.3Å; G225-A229 WeakPolarHBondContact O-CB 3.35Å; G225-A229 PolarHBondContact O-N 3.27Å; G225-A229 VanDerWaalsContact O-N 3.1Å
226L98.9Very high98.7Very high7 Ų755.5 Ų55.54%0.03728%0.283CS..Hα-helixtrans-63.9-45.2175.6-65.4173.8000112A193 V194 V197 V204 M222 K223 A229 G230 L231 A233 L235A193-L226 HydrophobicContact CB-CD1 4.32Å; A193-L226 HydrophobicContact CB-CD2 4Å; A193-L226 HydrophobicContact CB-CG 3.95Å; V194-L226 HydrophobicContact CG2-CD2 4.31Å; V197-L226 HydrophobicContact CB-CD2 4.23Å; V197-L226 HydrophobicContact CG2-CD2 3.62Å; V204-L226 HydrophobicContact CG2-CD1 3.83Å; M222-L226 WeakPolarHBondContact O-CG 3.44Å; M222-L226 PolarHBondContact O-N 3.41Å; M222-L226 VanDerWaalsContact O-N 3.08Å; K223-L226 PolarHBondContact O-N 3.02Å; L226-A229 CarbonylContact O-C 3.58Å; L226-A229 PolarHBondContact O-N 3.49Å; L226-G230 PolarHBondContact O-N 2.82Å; L226-L231 HydrophobicContact CD2-CB 4.13Å; L226-L231 PolarHBondContact O-N 3.39Å; L226-A233 HydrophobicContact CD1-CB 4.34Å; L226-L235 HydrophobicContact CD1-CD2 4.16Å
227E98.7Very high98.7Very high121 Ų12154.9 Ų54.957%0.56528%0.28SS*.Hα-helixtrans-60.5-47178.5-73.2176.3174.100111.6K223 E224 A229 G230K223-E227 WeakPolarHBondContact CE-OE1 3.39Å; K223-E227 WeakPolarHBondContact O-CG 3.06Å; K223-E227 PolarHBondContact O-N 2.98Å; E224-E227 PolarHBondContact O-N 3.35Å; E227-A229 VanDerWaalsContact C-N 3.26Å; E227-A229 PolarHBondContact O-N 3.26Å; E227-G230 PolarHBondContact O-N 2.94Å
228R98.6Very high98.7Very high175 Ų17550.5 Ų50.566%0.6626%0.261SS*.Hα-helixtrans-61.1-34.2175.5-74.1-171-62.4-97.6-0.1112.7E224 G230E224-R228 WeakPolarHBondContact O-CB 3.36Å; E224-R228 WeakPolarHBondContact O-CG 3.22Å; E224-R228 PolarHBondContact O-N 2.99Å; E224-R228 IonicContact OE2-NH1 3.65Å; E224-R228 PolarHBondContact OE2-NH1 3.33Å; R228-G230 VanDerWaalsContact C-N 3.3Å
229A98.6Very high98.7Very high51 Ų5150.5 Ų50.542%0.42126%0.261SS..THydrogen-bonded Turntrans-82.1-5.2177.700000113.7V194 G225 L226 E227 L231V194-A229 HydrophobicContact CG1-CB 4.31Å; V194-A229 HydrophobicContact CG2-CB 3.61Å; G225-A229 WeakPolarHBondContact O-CB 3.35Å; G225-A229 PolarHBondContact O-N 3.27Å; G225-A229 VanDerWaalsContact O-N 3.1Å; L226-A229 CarbonylContact O-C 3.58Å; L226-A229 PolarHBondContact O-N 3.49Å; E227-A229 VanDerWaalsContact C-N 3.26Å; E227-A229 PolarHBondContact O-N 3.26Å; A229-L231 HydrophobicContact CB-CD1 4.08Å; A229-L231 HydrophobicContact CB-CG 4.07Å; A229-L231 PolarHBondContact O-N 2.94Å
230G98.5Very high98.7Very high68 Ų6850.5 Ų50.570%0.70126%0.261SS*.THydrogen-bonded Turntrans65.823.1-174.800000113.6L226 E227 R228L226-G230 PolarHBondContact O-N 2.82Å; E227-G230 PolarHBondContact O-N 2.94Å; R228-G230 VanDerWaalsContact C-N 3.3Å
231L98.6Very high98.7Very high51 Ų5145.8 Ų45.827%0.26724%0.239SC..  trans-97148.3179.9-67.1175.7000110.7V194 V197 K198 L226 A229V194-L231 HydrophobicContact CB-CD1 4.35Å; V194-L231 HydrophobicContact CG1-CD1 3.9Å; V194-L231 HydrophobicContact CG2-CD1 4.33Å; V197-L231 HydrophobicContact CB-CD1 4.39Å; V197-L231 HydrophobicContact CG1-CB 4.29Å; V197-L231 HydrophobicContact CG1-CD1 4.28Å; K198-L231 HydrophobicContact CG-CD1 4.13Å; L226-L231 HydrophobicContact CD2-CB 4.13Å; L226-L231 PolarHBondContact O-N 3.39Å; A229-L231 HydrophobicContact CB-CD1 4.08Å; A229-L231 HydrophobicContact CB-CG 4.07Å; A229-L231 PolarHBondContact O-N 2.94Å
232K97Very high98.7Very high200 Ų20043.1 Ų43.187%0.8723%0.225SC*.  trans-118.4133.7175.1-67.6-174.8178.3-177.70109.8
233A98.4Very high98.7Very high28 Ų2846.9 Ų46.923%0.23124%0.242CC..  trans-152158.1168.800000108.9V197 V204 L226V197-A233 HydrophobicContact CG2-CB 3.51Å; V204-A233 HydrophobicContact CG2-CB 4Å; L226-A233 HydrophobicContact CD1-CB 4.34Å
234H98.9Very high98.6Very high48 Ų4844.3 Ų44.322%0.22223%0.232CC..EExtended strand (participates in β ladder)trans-75.7145.9169.6-62.4-67.8000110.1L17 S202 I203 V204L17-H234 HydrophobicContact CD1-CB 3.92Å; S202-H234 PolarHBondContact O-N 2.91Å; I203-H234 CarbonylContact C-O 3.57Å; I203-H234 VanDerWaalsContact CA-O 3.32Å; I203-H234 WeakPolarHBondContact CA-O 3.44Å; I203-H234 HydrophobicContact CB-CB 4.47Å; I203-H234 HydrophobicContact CG1-CB 4.11Å; I203-H234 HydrophobicContact CG2-CB 4.34Å; V204-H234 PolarHBondContact N-O 3.2Å
235L98.9Very high98.6Very high13 Ų1345.6 Ų45.67%0.06825%0.246CC..EExtended strand (participates in β ladder)trans-97.9138.4-178.9-61.8-179.2000110.8V204 M219 K223 L226 V284 R285 Y286V204-L235 HydrophobicContact CG2-CD2 4.31Å; V204-L235 WeakPolarHBondContact O-CA 3.45Å; M219-L235 HydrophobicContact CE-CB 3.7Å; M219-L235 HydrophobicContact CE-CD1 4.49Å; M219-L235 HydrophobicContact CE-CD2 3.94Å; M219-L235 HydrophobicContact CE-CG 4.24Å; K223-L235 HydrophobicContact CB-CD1 4.01Å; K223-L235 HydrophobicContact CD-CD1 4Å; K223-L235 HydrophobicContact CG-CD1 4.05Å; L226-L235 HydrophobicContact CD1-CD2 4.16Å; L235-V284 HydrophobicContact CB-CB 4.42Å; L235-V284 HydrophobicContact CB-CG1 4.37Å; L235-V284 HydrophobicContact CB-CG2 4.18Å; L235-V284 VanDerWaalsContact O-CG1 3.31Å; L235-V284 WeakPolarHBondContact O-CG1 2.98Å; L235-R285 PolarHBondContact O-N 3.33Å; L235-Y286 PolarHBondContact O-N 3.04Å; L235-Y286 VanDerWaalsContact O-N 3.16Å
236M98.9Very high98.5Very high0 Ų046.2 Ų46.20%025%0.248CC..EExtended strand (participates in β ladder)trans-131.5135.2-177.3175.2169.4172.100112I148 A173 T175 I203 V204 G205 V206 M219 Q238 Y286I148-M236 HydrophobicContact CD1-CE 4.23Å; I148-M236 HydrophobicContact CG2-CE 4.36Å; A173-M236 HydrophobicContact CB-SD 3.93Å; T175-M236 HydrophobicContact CG2-CB 4.25Å; T175-M236 HydrophobicContact CG2-CE 3.84Å; T175-M236 HydrophobicContact CG2-CG 3.7Å; T175-M236 HydrophobicContact CG2-SD 3.75Å; I203-M236 HydrophobicContact CG2-CB 3.57Å; I203-M236 HydrophobicContact CG2-CG 4.37Å; I203-M236 HydrophobicContact CG2-SD 3.92Å; V204-M236 PolarHBondContact O-N 3.35Å; G205-M236 VanDerWaalsContact CA-O 3.26Å; G205-M236 WeakPolarHBondContact CA-O 3.39Å; V206-M236 PolarHBondContact N-O 3.34Å; M219-M236 WeakPolarHBondContact CE-O 3.31Å; M219-M236 VanDerWaalsContact SD-O 3.36Å; M236-Q238 HydrophobicContact CE-CG 4.44Å; M236-Y286 WeakPolarHBondContact CA-O 3.4Å; M236-Y286 HydrophobicContact CB-CD1 4.49Å; M236-Y286 HydrophobicContact CB-CG 4.2Å; M236-Y286 HydrophobicContact CE-CD1 4.05Å; M236-Y286 HydrophobicContact CE-CD2 4.42Å; M236-Y286 HydrophobicContact CE-CE1 3.64Å; M236-Y286 HydrophobicContact CE-CE2 4.03Å; M236-Y286 HydrophobicContact CE-CG 4.44Å; M236-Y286 HydrophobicContact CG-CD1 3.61Å; M236-Y286 HydrophobicContact CG-CD2 4.3Å; M236-Y286 HydrophobicContact CG-CE1 4.19Å; M236-Y286 HydrophobicContact CG-CG 3.69Å; M236-Y286 HydrophobicContact SD-CD1 4.04Å; M236-Y286 HydrophobicContact SD-CD2 3.9Å; M236-Y286 HydrophobicContact SD-CE1 4.19Å; M236-Y286 HydrophobicContact SD-CE2 4.03Å; M236-Y286 HydrophobicContact SD-CG 3.91Å
237V98.9Very high98.2Very high0 Ų047.1 Ų47.10%026%0.255CS..EExtended strand (participates in β ladder)trans-142.8129.5176.972.40000111.9V206 L216 M219 Y275 A279 V284 Y286 G288V206-V237 HydrophobicContact CG2-CG2 3.87Å; V206-V237 WeakPolarHBondContact O-CA 3.31Å; L216-V237 HydrophobicContact CD2-CG1 4.22Å; L216-V237 HydrophobicContact CD2-CG2 4.44Å; M219-V237 HydrophobicContact CG-CB 3.98Å; M219-V237 HydrophobicContact CG-CG2 3.79Å; M219-V237 HydrophobicContact SD-CB 4.36Å; M219-V237 HydrophobicContact SD-CG2 4.48Å; V237-Y275 HydrophobicContact CG1-CE2 3.84Å; V237-Y275 VanDerWaalsContact CG1-OH 3.29Å; V237-Y275 WeakPolarHBondContact CG1-OH 3.28Å; V237-Y275 PolarHBondContact O-OH 3.1Å; V237-Y275 VanDerWaalsContact O-OH 3.04Å; V237-A279 HydrophobicContact CG1-CB 4.14Å; V237-V284 HydrophobicContact CB-CG1 4.31Å; V237-V284 HydrophobicContact CG1-CB 4.47Å; V237-V284 HydrophobicContact CG1-CG1 3.74Å; V237-V284 HydrophobicContact CG1-CG2 4.36Å; V237-Y286 PolarHBondContact N-O 3.35Å; V237-G288 PolarHBondContact O-N 3.18Å
238Q98.9Very high97.8Very high4 Ų442.9 Ų42.92%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-136.675.1178.6-69.3-174.9-90.300110.5V206 N207 C208 M236 Y286 G289 C290V206-Q238 PolarHBondContact O-N 3.03Å; N207-Q238 CarbonylContact C-O 3.59Å; N207-Q238 WeakPolarHBondContact CA-O 3.29Å; N207-Q238 HydrophobicContact CB-CB 3.89Å; C208-Q238 PolarHBondContact N-O 3.46Å; M236-Q238 HydrophobicContact CE-CG 4.44Å; Q238-Y286 HydrophobicContact CG-CE1 4.29Å; Q238-G289 PolarHBondContact NE2-O 3.21Å; Q238-C290 VanDerWaalsContact O-CB 3.23Å; Q238-C290 WeakPolarHBondContact O-CB 3.37Å
239P98.9Very high97.5Very high0 Ų036.4 Ų36.40%022%0.22CC..  trans-71.2176.5-17433.3-36.4000112.2P212 S215 Y275 C290 F293P212-P239 HydrophobicContact CB-CB 4.38Å; P212-P239 HydrophobicContact CB-CG 4.12Å; P212-P239 HydrophobicContact CG-CB 4.25Å; P212-P239 HydrophobicContact CG-CG 3.99Å; S215-P239 WeakPolarHBondContact OG-CB 3.48Å; P239-Y275 VanDerWaalsContact CD-OH 3.26Å; P239-Y275 WeakPolarHBondContact CD-OH 3.17Å; P239-Y275 HydrophobicContact CG-CD2 4.23Å; P239-Y275 HydrophobicContact CG-CE1 4.25Å; P239-Y275 HydrophobicContact CG-CE2 3.69Å; P239-C290 PolarHBondContact O-N 3.16Å; P239-F293 HydrophobicContact CG-CE2 4.05Å; P239-F293 HydrophobicContact CG-CZ 4.04Å; P239-F293 WeakPolarHBondContact O-CD2 3.36Å; P239-F293 WeakPolarHBondContact O-CE2 3.34Å
240L98.9Very high97.3Very high0 Ų036.8 Ų36.80%021%0.213CC..  trans-64.9145.1164.8-66178.5000111.5R209 F210 P212 F242 T244 F252 C291 F293R209-L240 VanDerWaalsContact O-CD1 3.3Å; R209-L240 WeakPolarHBondContact O-CD1 3.24Å; F210-L240 WeakPolarHBondContact O-CB 3.5Å; F210-L240 PolarHBondContact O-N 2.84Å; P212-L240 WeakPolarHBondContact CD-O 3.47Å; L240-F242 HydrophobicContact CB-CB 4.25Å; L240-F242 HydrophobicContact CB-CD2 4.14Å; L240-F242 HydrophobicContact CD2-CD2 4.33Å; L240-F242 PolarHBondContact O-N 2.85Å; L240-F242 VanDerWaalsContact O-N 3.12Å; L240-T244 HydrophobicContact CD1-CG2 3.93Å; L240-F252 HydrophobicContact CD1-CB 3.63Å; L240-F252 HydrophobicContact CD1-CD1 3.75Å; L240-F252 HydrophobicContact CD1-CD2 3.73Å; L240-F252 HydrophobicContact CD1-CE1 4.32Å; L240-F252 HydrophobicContact CD1-CE2 4.31Å; L240-F252 HydrophobicContact CD1-CG 3.41Å; L240-F252 VanDerWaalsContact CD1-CG 3.41Å; L240-F252 HydrophobicContact CD2-CD1 4.35Å; L240-F252 HydrophobicContact CD2-CD2 4.31Å; L240-F252 HydrophobicContact CD2-CE1 4.09Å; L240-F252 HydrophobicContact CD2-CE2 4.05Å; L240-F252 HydrophobicContact CD2-CG 4.45Å; L240-F252 HydrophobicContact CD2-CZ 3.93Å; L240-C291 WeakPolarHBondContact CA-O 3.32Å; L240-C291 HydrophobicContact CD2-CB 3.62Å; L240-F293 VanDerWaalsContact C-CE2 3.48Å
241G98.6Very high97.2Very high0 Ų033.6 Ų33.60%018%0.18CC..SBendtrans-7926.4165.900000112.2V266 A267 C291 F293G241-V266 WeakPolarHBondContact O-CA 3.42Å; G241-A267 PolarHBondContact O-N 2.94Å; G241-C291 PolarHBondContact N-O 3.16Å; G241-F293 VanDerWaalsContact N-CD2 3.33Å
242F98.8Very high97.1Very high3 Ų331.3 Ų31.31%0.01317%0.168CC..BIsolated β-bridgetrans-130.4142.9-176-56.7-69.2000110.5G211 L240 T244 F252 L262 R265 V266 C291G211-F242 VanDerWaalsContact CA-O 3.27Å; G211-F242 WeakPolarHBondContact CA-O 3.49Å; L240-F242 HydrophobicContact CB-CB 4.25Å; L240-F242 HydrophobicContact CB-CD2 4.14Å; L240-F242 HydrophobicContact CD2-CD2 4.33Å; L240-F242 PolarHBondContact O-N 2.85Å; L240-F242 VanDerWaalsContact O-N 3.12Å; F242-T244 HydrophobicContact CB-CG2 4.16Å; F242-F252 HydrophobicContact CD2-CD2 4.4Å; F242-F252 HydrophobicContact CD2-CE2 4.42Å; F242-F252 HydrophobicContact CE2-CE2 4.38Å; F242-L262 HydrophobicContact CD1-CB 4.03Å; F242-L262 HydrophobicContact CD2-CD1 4.43Å; F242-L262 HydrophobicContact CE1-CB 3.76Å; F242-L262 HydrophobicContact CE2-CD1 4.1Å; F242-L262 HydrophobicContact CZ-CB 4.17Å; F242-L262 HydrophobicContact CZ-CD1 4.15Å; F242-R265 CarbonylContact C-O 3.55Å; F242-R265 VanDerWaalsContact CA-O 3.23Å; F242-R265 WeakPolarHBondContact CA-O 3.33Å; F242-R265 HydrophobicContact CB-CB 4.07Å; F242-R265 HydrophobicContact CD1-CB 4.26Å; F242-V266 HydrophobicContact CD1-CG2 3.9Å; F242-V266 HydrophobicContact CE1-CG2 3.62Å; F242-C291 HydrophobicContact CE2-CB 4.32Å; F242-C291 WeakPolarHBondContact CE2-O 3.29Å
243H98.6Very high97Very high78 Ų7823.3 Ų23.336%0.36114%0.136SC..  trans-77.7118.8168.6-68.3-74.5000109.8P245 R265 D271H243-P245 VanDerWaalsContact C-CD 3.44Å; H243-R265 PolarHBondContact CD2-O 3.03Å; H243-R265 VanDerWaalsContact CD2-O 3.26Å; H243-R265 PolarHBondContact N-O 2.92Å; H243-R265 WeakPolarHBondContact O-CB 3.38Å; H243-R265 PolarHBondContact O-NH1 3.38Å; H243-D271 IonicContact CE1-OD1 3.19Å; H243-D271 IonicContact CE1-OD2 3.69Å; H243-D271 IonicContact NE2-OD2 2.75Å; H243-D271 PolarHBondContact NE2-OD2 3.02Å
244T98Very high96.9Very high7 Ų723.6 Ų23.64%0.04313%0.134CC..  trans-134.151.2-174.564.80000113G211 L240 F242 D246 C247 F252 L255G211-T244 PolarHBondContact N-OG1 3.46Å; L240-T244 HydrophobicContact CD1-CG2 3.93Å; F242-T244 HydrophobicContact CB-CG2 4.16Å; T244-D246 PolarHBondContact O-N 3.33Å; T244-C247 VanDerWaalsContact CB-SG 3.53Å; T244-C247 PolarHBondContact O-N 3.18Å; T244-F252 HydrophobicContact CG2-CB 3.96Å; T244-L255 HydrophobicContact CG2-CD1 4.3Å
245P97.3Very high96.9Very high98 Ų9821.4 Ų21.464%0.63612%0.124SC*.THydrogen-bonded Turntrans-69.3-10.7-178.231.7-37.4000113.7H243 L358H243-P245 VanDerWaalsContact C-CD 3.44Å; P245-L358 HydrophobicContact CG-CD2 3.54Å
246D96.8Very high96.8Very high18 Ų1824 Ų2410%0.09614%0.141CC..THydrogen-bonded Turntrans-104.55.8-178.149.4-9.5000113.9T244 L255 R265 L358 S359 P361T244-D246 PolarHBondContact O-N 3.33Å; D246-L255 HydrophobicContact CB-CD2 4.49Å; D246-R265 IonicContact OD1-CZ 3.74Å; D246-R265 IonicContact OD1-NH1 3.3Å; D246-R265 PolarHBondContact OD1-NH1 3.29Å; D246-R265 IonicContact OD1-NH2 2.8Å; D246-R265 IonicContact OD2-CZ 3.85Å; D246-R265 IonicContact OD2-NH1 3.56Å; D246-R265 PolarHBondContact OD2-NH1 3.1Å; D246-R265 IonicContact OD2-NH2 3.88Å; D246-R265 PolarHBondContact OD2-NH2 3.15Å; D246-L358 HydrophobicContact CB-CB 4.08Å; D246-L358 HydrophobicContact CB-CD2 3.99Å; D246-L358 HydrophobicContact CB-CG 4.45Å; D246-L358 WeakPolarHBondContact OD2-CA 3.36Å; D246-S359 WeakPolarHBondContact CB-O 3.26Å; D246-S359 PolarHBondContact OD2-N 3.23Å; D246-P361 WeakPolarHBondContact O-CD 3.42Å; D246-P361 VanDerWaalsContact O-CG 3.27Å; D246-P361 WeakPolarHBondContact O-CG 3.29Å
247C93.1Very high96.8Very high26 Ų2625.7 Ų25.718%0.17615%0.149CC..  trans-72.5137.4171.9-750000111.8F210 T244 F252 L255F210-C247 HydrophobicContact CE1-CB 4.46Å; T244-C247 VanDerWaalsContact CB-SG 3.53Å; T244-C247 PolarHBondContact O-N 3.18Å; C247-F252 WeakPolarHBondContact SG-CA 3.41Å; C247-F252 PolarHBondContact SG-N 2.87Å; C247-L255 WeakPolarHBondContact SG-CD1 3.5Å
248G90.4Very high96.7Very high32 Ų3229.1 Ų29.133%0.3316%0.163SC..  trans-80.7-165.1159.300000111.7F210 E250 G251F210-G248 WeakPolarHBondContact CE1-O 3.41Å; G248-E250 PolarHBondContact O-N 3.42Å; G248-E250 VanDerWaalsContact O-N 3.12Å; G248-G251 PolarHBondContact O-N 3.21Å
249K93.3Very high96.6Very high40 Ų4030.4 Ų30.417%0.17417%0.171CC..THydrogen-bonded Turntrans-55.1-28.8-179.2-170.9176.5-179-171.10114.6E181 D183 M184 D186 F210 G251E181-K249 HydrophobicContact CB-CD 4.32Å; E181-K249 HydrophobicContact CB-CG 4.25Å; D183-K249 WeakPolarHBondContact O-CE 3.33Å; D183-K249 PolarHBondContact O-NZ 3.01Å; M184-K249 HydrophobicContact SD-CD 4.43Å; M184-K249 HydrophobicContact SD-CG 4.38Å; D186-K249 IonicContact OD1-NZ 2.79Å; D186-K249 PolarHBondContact OD1-NZ 3.25Å; F210-K249 WeakPolarHBondContact CZ-O 3.42Å; K249-G251 VanDerWaalsContact C-N 3.27Å; K249-G251 PolarHBondContact O-N 3.42Å
250E92.9Very high96.6Very high58 Ų5837 Ų3727%0.27120%0.2SC..THydrogen-bonded Turntrans-75.7-15.6-179.7-63.1-6917400113.1M184 R209 G248 V253 D254M184-E250 WeakPolarHBondContact CE-OE1 3.12Å; R209-E250 VanDerWaalsContact CD-O 3.29Å; R209-E250 WeakPolarHBondContact CD-O 3.31Å; R209-E250 PolarHBondContact NE-O 3.46Å; R209-E250 PolarHBondContact NH1-O 2.82Å; R209-E250 IonicContact NH1-OE2 3.24Å; R209-E250 PolarHBondContact NH1-OE2 2.91Å; G248-E250 PolarHBondContact O-N 3.42Å; G248-E250 VanDerWaalsContact O-N 3.12Å; E250-V253 WeakPolarHBondContact O-CG2 3.43Å; E250-D254 HydrophobicContact CB-CB 4.22Å; E250-D254 WeakPolarHBondContact CB-OD2 3.45Å; E250-D254 WeakPolarHBondContact CG-OD2 3.5Å
251G96.5Very high96.6Very high1 Ų138.1 Ų38.11%0.0121%0.212CC..G310 helixtrans75.9-162.1-177.600000113.1R209 G248 K249 V253 D254R209-G251 WeakPolarHBondContact O-CA 3.36Å; G248-G251 PolarHBondContact O-N 3.21Å; K249-G251 VanDerWaalsContact C-N 3.27Å; K249-G251 PolarHBondContact O-N 3.42Å; G251-V253 PolarHBondContact O-N 2.92Å; G251-V253 VanDerWaalsContact O-N 3.09Å; G251-D254 PolarHBondContact O-N 3.08Å
252F97.5Very high96.6Very high4 Ų438.3 Ų38.32%0.01821%0.213CC..G310 helixtrans-65.9-13.3-170.185.1-45.4000116.1R209 L240 F242 T244 C247 D254 L255 Y258 L262 C291R209-F252 HydrophobicContact CG-CD1 4.35Å; R209-F252 HydrophobicContact CG-CE1 4.45Å; R209-F252 PolarHBondContact O-N 3.45Å; L240-F252 HydrophobicContact CD1-CB 3.63Å; L240-F252 HydrophobicContact CD1-CD1 3.75Å; L240-F252 HydrophobicContact CD1-CD2 3.73Å; L240-F252 HydrophobicContact CD1-CE1 4.32Å; L240-F252 HydrophobicContact CD1-CE2 4.31Å; L240-F252 HydrophobicContact CD1-CG 3.41Å; L240-F252 VanDerWaalsContact CD1-CG 3.41Å; L240-F252 HydrophobicContact CD2-CD1 4.35Å; L240-F252 HydrophobicContact CD2-CD2 4.31Å; L240-F252 HydrophobicContact CD2-CE1 4.09Å; L240-F252 HydrophobicContact CD2-CE2 4.05Å; L240-F252 HydrophobicContact CD2-CG 4.45Å; L240-F252 HydrophobicContact CD2-CZ 3.93Å; F242-F252 HydrophobicContact CD2-CD2 4.4Å; F242-F252 HydrophobicContact CD2-CE2 4.42Å; F242-F252 HydrophobicContact CE2-CE2 4.38Å; T244-F252 HydrophobicContact CG2-CB 3.96Å; C247-F252 WeakPolarHBondContact SG-CA 3.41Å; C247-F252 PolarHBondContact SG-N 2.87Å; F252-D254 PolarHBondContact O-N 3.41Å; F252-L255 HydrophobicContact CB-CD1 4.18Å; F252-L255 WeakPolarHBondContact O-CB 3.2Å; F252-L255 PolarHBondContact O-N 3.06Å; F252-Y258 AromaticContact CD2-CD2 3.84Å; F252-Y258 HydrophobicContact CD2-CD2 3.84Å; F252-Y258 HydrophobicContact CD2-CE2 4.35Å; F252-Y258 HydrophobicContact CE1-CD2 4.43Å; F252-Y258 HydrophobicContact CE1-CE2 4.18Å; F252-Y258 AromaticContact CE2-CD2 3.55Å; F252-Y258 HydrophobicContact CE2-CD2 3.55Å; F252-Y258 AromaticContact CE2-CE2 3.62Å; F252-Y258 HydrophobicContact CE2-CE2 3.62Å; F252-Y258 HydrophobicContact CG-CD2 4.4Å; F252-Y258 AromaticContact CZ-CD2 3.88Å; F252-Y258 HydrophobicContact CZ-CD2 3.88Å; F252-Y258 AromaticContact CZ-CE2 3.53Å; F252-Y258 HydrophobicContact CZ-CE2 3.53Å; F252-Y258 WeakPolarHBondContact O-CB 3.23Å; F252-L262 HydrophobicContact CD2-CD1 3.83Å; F252-L262 HydrophobicContact CE2-CD1 3.91Å; F252-C291 HydrophobicContact CZ-CB 4.29Å
253V95.2Very high96.5Very high32 Ų3242.8 Ų42.819%0.19423%0.233CC..G310 helixtrans-68.6-24.1-177.7-64.20000112.3E250 G251 Y258E250-V253 WeakPolarHBondContact O-CG2 3.43Å; G251-V253 PolarHBondContact O-N 2.92Å; G251-V253 VanDerWaalsContact O-N 3.09Å; V253-Y258 HydrophobicContact CG1-CE2 4.25Å
254D96.1Very high96.5Very high33 Ų3342.1 Ų42.118%0.17624%0.238CC..G310 helixtrans-95.7-0.4177.8-74.56.3000112.7E250 G251 F252 P361 D362 V363E250-D254 HydrophobicContact CB-CB 4.22Å; E250-D254 WeakPolarHBondContact CB-OD2 3.45Å; E250-D254 WeakPolarHBondContact CG-OD2 3.5Å; G251-D254 PolarHBondContact O-N 3.08Å; F252-D254 PolarHBondContact O-N 3.41Å; D254-P361 HydrophobicContact CB-CB 4.18Å; D254-P361 CarbonylContact O-C 3.54Å; D254-P361 VanDerWaalsContact O-CA 3.24Å; D254-P361 WeakPolarHBondContact O-CA 3.36Å; D254-D362 PolarHBondContact O-N 3.21Å; D254-V363 HydrophobicContact CB-CG2 4.15Å; D254-V363 VanDerWaalsContact CG-CG2 3.46Å; D254-V363 WeakPolarHBondContact OD2-CG2 3.3Å
255L97.8Very high96.6Very high3 Ų342.5 Ų42.52%0.01624%0.238CC..SBendtrans-71.2136.4171.2-70.7-180000109.3T244 D246 C247 F252 E257 Y258 P361T244-L255 HydrophobicContact CG2-CD1 4.3Å; D246-L255 HydrophobicContact CB-CD2 4.49Å; C247-L255 WeakPolarHBondContact SG-CD1 3.5Å; F252-L255 HydrophobicContact CB-CD1 4.18Å; F252-L255 WeakPolarHBondContact O-CB 3.2Å; F252-L255 PolarHBondContact O-N 3.06Å; L255-E257 PolarHBondContact O-N 2.92Å; L255-Y258 WeakPolarHBondContact O-CB 3.17Å; L255-Y258 PolarHBondContact O-N 2.97Å; L255-P361 HydrophobicContact CD2-CG 4.32Å
256P97.8Very high96.6Very high66 Ų6640 Ų4043%0.42922%0.221SC..THydrogen-bonded Turntrans-57.1-21.5179.7-26.634.3000114.3K360P256-K360 WeakPolarHBondContact CD-O 3.43Å; P256-K360 VanDerWaalsContact CG-O 3.28Å; P256-K360 WeakPolarHBondContact CG-O 3.47Å
257E98.1Very high96.7Very high37 Ų3739.1 Ų39.117%0.17322%0.217CC..THydrogen-bonded Turntrans-80.5-12177.9-59.593.9152.400114.1L255 P259 F260 G261 L262 R265 S359L255-E257 PolarHBondContact O-N 2.92Å; E257-P259 CarbonylContact O-C 3.43Å; E257-F260 PolarHBondContact O-N 2.93Å; E257-F260 VanDerWaalsContact O-N 3.09Å; E257-G261 WeakPolarHBondContact O-CA 3.31Å; E257-G261 PolarHBondContact O-N 2.97Å; E257-L262 HydrophobicContact CB-CD2 3.88Å; E257-L262 HydrophobicContact CB-CG 4.46Å; E257-R265 VanDerWaalsContact CD-NH2 3.29Å; E257-R265 IonicContact OE1-CZ 3.17Å; E257-R265 IonicContact OE1-NE 3.94Å; E257-R265 IonicContact OE1-NH2 3.43Å; E257-R265 PolarHBondContact OE1-NH2 2.87Å; E257-R265 IonicContact OE2-CZ 3.38Å; E257-R265 IonicContact OE2-NE 3.93Å; E257-R265 IonicContact OE2-NH2 3.09Å; E257-R265 PolarHBondContact OE2-NH2 3.19Å; E257-S359 WeakPolarHBondContact OE1-CB 3.4Å; E257-S359 PolarHBondContact OE1-OG 3.13Å
258Y97.3Very high97Very high71 Ų7139.9 Ų39.928%0.27822%0.221SC..THydrogen-bonded Turntrans-72.3136.6-179177.6-93.3000112.1W44 F252 V253 L255 L262W44-Y258 PolarHBondContact NE1-OH 3.14Å; F252-Y258 AromaticContact CD2-CD2 3.84Å; F252-Y258 HydrophobicContact CD2-CD2 3.84Å; F252-Y258 HydrophobicContact CD2-CE2 4.35Å; F252-Y258 HydrophobicContact CE1-CD2 4.43Å; F252-Y258 HydrophobicContact CE1-CE2 4.18Å; F252-Y258 AromaticContact CE2-CD2 3.55Å; F252-Y258 HydrophobicContact CE2-CD2 3.55Å; F252-Y258 AromaticContact CE2-CE2 3.62Å; F252-Y258 HydrophobicContact CE2-CE2 3.62Å; F252-Y258 HydrophobicContact CG-CD2 4.4Å; F252-Y258 AromaticContact CZ-CD2 3.88Å; F252-Y258 HydrophobicContact CZ-CD2 3.88Å; F252-Y258 AromaticContact CZ-CE2 3.53Å; F252-Y258 HydrophobicContact CZ-CE2 3.53Å; F252-Y258 WeakPolarHBondContact O-CB 3.23Å; V253-Y258 HydrophobicContact CG1-CE2 4.25Å; L255-Y258 WeakPolarHBondContact O-CB 3.17Å; L255-Y258 PolarHBondContact O-N 2.97Å; Y258-L262 HydrophobicContact CD2-CD1 4.17Å
259P97.3Very high97.4Very high31 Ų3142.1 Ų42.120%0.20122%0.219CC..THydrogen-bonded Turncis-91.2-6.8-14.135.4-33.5000113.8A41 W44 E257A41-P259 HydrophobicContact CB-CG 4.49Å; W44-P259 HydrophobicContact CH2-CB 4.33Å; W44-P259 HydrophobicContact CZ2-CB 3.96Å; W44-P259 HydrophobicContact CZ2-CG 4.09Å; E257-P259 CarbonylContact O-C 3.43Å
260F98.3Very high97.7Very high140 Ų14041.7 Ų41.761%0.61422%0.216SC*.THydrogen-bonded Turntrans-100.86.1-162.1-59.3-58.8000116.7A41 E257A41-F260 HydrophobicContact CB-CE1 3.68Å; A41-F260 HydrophobicContact CB-CZ 3.45Å; A41-F260 VanDerWaalsContact CB-CZ 3.45Å; E257-F260 PolarHBondContact O-N 2.93Å; E257-F260 VanDerWaalsContact O-N 3.09Å
261G98.1Very high97.9Very high23 Ų2341.3 Ų41.324%0.23722%0.216CC..SBendtrans-125.711.2179.600000114E257 E263E257-G261 WeakPolarHBondContact O-CA 3.31Å; E257-G261 PolarHBondContact O-N 2.97Å; G261-E263 WeakPolarHBondContact CA-OE2 3.36Å; G261-E263 PolarHBondContact O-N 2.94Å
262L98.4Very high98.1Very high4 Ų441.3 Ų41.32%0.02122%0.216CC..G310 helixtrans-78.3-0.6-171.4-62.9172.8000113.8F242 F252 E257 Y258 S264 R265F242-L262 HydrophobicContact CD1-CB 4.03Å; F242-L262 HydrophobicContact CD2-CD1 4.43Å; F242-L262 HydrophobicContact CE1-CB 3.76Å; F242-L262 HydrophobicContact CE2-CD1 4.1Å; F242-L262 HydrophobicContact CZ-CB 4.17Å; F242-L262 HydrophobicContact CZ-CD1 4.15Å; F252-L262 HydrophobicContact CD2-CD1 3.83Å; F252-L262 HydrophobicContact CE2-CD1 3.91Å; E257-L262 HydrophobicContact CB-CD2 3.88Å; E257-L262 HydrophobicContact CB-CG 4.46Å; Y258-L262 HydrophobicContact CD2-CD1 4.17Å; L262-S264 VanDerWaalsContact C-N 3.31Å; L262-S264 PolarHBondContact O-N 3.48Å; L262-R265 WeakPolarHBondContact O-CB 3.17Å; L262-R265 PolarHBondContact O-N 3.27Å
263E98.6Very high98.1Very high96 Ų9641.5 Ų41.545%0.44922%0.217SC..G310 helixtrans-59.8-36.6-170.6-68.970.2-153.600113.4G261 R265 V266G261-E263 WeakPolarHBondContact CA-OE2 3.36Å; G261-E263 PolarHBondContact O-N 2.94Å; E263-R265 PolarHBondContact O-N 3.36Å; E263-V266 WeakPolarHBondContact O-CG2 3.38Å; E263-V266 PolarHBondContact O-N 2.85Å
264S98.3Very high98.3Very high65 Ų6545.8 Ų45.846%0.45523%0.233SC..G310 helixtrans-72.8-12.5178.1470000113.5L262 R352L262-S264 VanDerWaalsContact C-N 3.31Å; L262-S264 PolarHBondContact O-N 3.48Å; S264-R352 PolarHBondContact OG-NH1 3.15Å
265R98.6Very high98.4Very high14 Ų1444.3 Ų44.35%0.05323%0.225CC..G310 helixtrans-92.6-12.2-179.3-61.1171.2177.5-87.84111.5F242 H243 D246 E257 L262 E263 A267F242-R265 CarbonylContact C-O 3.55Å; F242-R265 VanDerWaalsContact CA-O 3.23Å; F242-R265 WeakPolarHBondContact CA-O 3.33Å; F242-R265 HydrophobicContact CB-CB 4.07Å; F242-R265 HydrophobicContact CD1-CB 4.26Å; H243-R265 PolarHBondContact CD2-O 3.03Å; H243-R265 VanDerWaalsContact CD2-O 3.26Å; H243-R265 PolarHBondContact N-O 2.92Å; H243-R265 WeakPolarHBondContact O-CB 3.38Å; H243-R265 PolarHBondContact O-NH1 3.38Å; D246-R265 IonicContact OD1-CZ 3.74Å; D246-R265 IonicContact OD1-NH1 3.3Å; D246-R265 PolarHBondContact OD1-NH1 3.29Å; D246-R265 IonicContact OD1-NH2 2.8Å; D246-R265 IonicContact OD2-CZ 3.85Å; D246-R265 IonicContact OD2-NH1 3.56Å; D246-R265 PolarHBondContact OD2-NH1 3.1Å; D246-R265 IonicContact OD2-NH2 3.88Å; D246-R265 PolarHBondContact OD2-NH2 3.15Å; E257-R265 VanDerWaalsContact CD-NH2 3.29Å; E257-R265 IonicContact OE1-CZ 3.17Å; E257-R265 IonicContact OE1-NE 3.94Å; E257-R265 IonicContact OE1-NH2 3.43Å; E257-R265 PolarHBondContact OE1-NH2 2.87Å; E257-R265 IonicContact OE2-CZ 3.38Å; E257-R265 IonicContact OE2-NE 3.93Å; E257-R265 IonicContact OE2-NH2 3.09Å; E257-R265 PolarHBondContact OE2-NH2 3.19Å; L262-R265 WeakPolarHBondContact O-CB 3.17Å; L262-R265 PolarHBondContact O-N 3.27Å; E263-R265 PolarHBondContact O-N 3.36Å; R265-A267 PolarHBondContact O-N 2.99Å
266V98.8Very high98.5Very high45 Ų4544.1 Ų44.127%0.27322%0.224SC..BIsolated β-bridgetrans-56.3126.5-175.8177.70000110.7G241 F242 E263G241-V266 WeakPolarHBondContact O-CA 3.42Å; F242-V266 HydrophobicContact CD1-CG2 3.9Å; F242-V266 HydrophobicContact CE1-CG2 3.62Å; E263-V266 WeakPolarHBondContact O-CG2 3.38Å; E263-V266 PolarHBondContact O-N 2.85Å
267A98.8Very high98.5Very high1 Ų143.5 Ų43.51%0.00821%0.213CC..PPolyproline II helixtrans-62.1148.1176.300000110.9G241 R265 D271 I272 Y296 H297G241-A267 PolarHBondContact O-N 2.94Å; R265-A267 PolarHBondContact O-N 2.99Å; A267-D271 HydrophobicContact CB-CB 4.12Å; A267-I272 HydrophobicContact CB-CD1 3.73Å; A267-I272 HydrophobicContact CB-CG1 4.17Å; A267-Y296 PolarHBondContact O-OH 3.27Å; A267-H297 PolarHBondContact O-NE2 2.88Å
268T98.9Very high98.6Very high41 Ų4145.5 Ų45.525%0.25222%0.222SC..PPolyproline II helixtrans-84.7165.5168.769.90000110.2W270 D271 I272T268-W270 PolarHBondContact O-N 3.3Å; T268-W270 PolarHBondContact OG1-N 3.4Å; T268-D271 WeakPolarHBondContact CB-OD2 3.29Å; T268-D271 PolarHBondContact N-OD2 2.88Å; T268-D271 WeakPolarHBondContact O-CB 3.5Å; T268-D271 PolarHBondContact O-N 3.27Å; T268-D271 PolarHBondContact OG1-N 3.39Å; T268-D271 VanDerWaalsContact OG1-N 3.16Å; T268-D271 PolarHBondContact OG1-OD2 3Å; T268-I272 WeakPolarHBondContact O-CG1 3.42Å; T268-I272 PolarHBondContact O-N 3.04Å; T268-I272 VanDerWaalsContact O-N 3.14Å
269R98.9Very high98.7Very high79 Ų7942.1 Ų42.130%0.29821%0.209SC..Hα-helixtrans-59-29.3171.771.6-170.964.1170.15.1112.7I272 Q273 Y296 A300 H319R269-I272 PolarHBondContact O-N 3.46Å; R269-Q273 WeakPolarHBondContact O-CG 3.49Å; R269-Q273 PolarHBondContact O-N 2.75Å; R269-Y296 HydrophobicContact CB-CD2 4.01Å; R269-Y296 HydrophobicContact CB-CE2 4.11Å; R269-A300 HydrophobicContact CB-CB 3.98Å; R269-A300 WeakPolarHBondContact O-CB 3.42Å; R269-H319 PolarHBondContact NH1-CD2 3.33Å; R269-H319 VanDerWaalsContact NH1-CD2 3.33Å; R269-H319 PolarHBondContact NH1-NE2 3.04Å
270W98.8Very high98.7Very high31 Ų3143.1 Ų43.112%0.11721%0.209CC..Hα-helixtrans-74.6-38.2-179.5-42.8124.6000111.2T268 I272 Q273 K274 W322 W343T268-W270 PolarHBondContact O-N 3.3Å; T268-W270 PolarHBondContact OG1-N 3.4Å; W270-I272 PolarHBondContact O-N 3.02Å; W270-Q273 VanDerWaalsContact CE3-OE1 3.31Å; W270-Q273 PolarHBondContact O-N 2.82Å; W270-K274 PolarHBondContact O-N 3.31Å; W270-W322 HydrophobicContact CB-CZ3 4.32Å; W270-W322 HydrophobicContact CD2-CE3 4.09Å; W270-W322 HydrophobicContact CD2-CZ3 4.01Å; W270-W322 HydrophobicContact CE3-CD2 4.03Å; W270-W322 AromaticContact CE3-CE3 3.45Å; W270-W322 HydrophobicContact CE3-CE3 3.45Å; W270-W322 VanDerWaalsContact CE3-CE3 3.45Å; W270-W322 HydrophobicContact CE3-CH2 4.18Å; W270-W322 AromaticContact CE3-CZ3 3.56Å; W270-W322 HydrophobicContact CE3-CZ3 3.56Å; W270-W322 HydrophobicContact CG-CZ3 4.34Å; W270-W322 HydrophobicContact CH2-CE3 4.41Å; W270-W322 AromaticContact CZ3-CD2 3.89Å; W270-W322 HydrophobicContact CZ3-CD2 3.89Å; W270-W322 AromaticContact CZ3-CE3 3.66Å; W270-W322 HydrophobicContact CZ3-CE3 3.66Å; W270-W322 HydrophobicContact CZ3-CG 4.28Å; W270-W322 HydrophobicContact CZ3-CZ3 4.24Å; W270-W343 HydrophobicContact CD2-CB 3.86Å; W270-W343 HydrophobicContact CD2-CG 4.32Å; W270-W343 AromaticContact CE2-CD2 3.9Å; W270-W343 AromaticContact CE2-CG 3.59Å; W270-W343 HydrophobicContact CG-CB 3.96Å; W270-W343 HydrophobicContact CZ2-CB 4.19Å; W270-W343 AromaticContact CZ2-CD1 3.83Å; W270-W343 HydrophobicContact CZ2-CD2 4.1Å; W270-W343 AromaticContact CZ2-CG 3.77Å; W270-W343 HydrophobicContact CZ2-CG 3.77Å; W270-W343 AromaticContact NE1-CD2 3.44Å; W270-W343 AromaticContact NE1-CE3 3.41Å; W270-W343 AromaticContact NE1-CG 3.52Å
271D98.9Very high98.8Very high51 Ų5141.7 Ų41.727%0.27321%0.208SC..Hα-helixtrans-58.2-42170.2-59.3-40.6000110.6H243 A267 T268 K274 Y275H243-D271 IonicContact CE1-OD1 3.19Å; H243-D271 IonicContact CE1-OD2 3.69Å; H243-D271 IonicContact NE2-OD2 2.75Å; H243-D271 PolarHBondContact NE2-OD2 3.02Å; A267-D271 HydrophobicContact CB-CB 4.12Å; T268-D271 WeakPolarHBondContact CB-OD2 3.29Å; T268-D271 PolarHBondContact N-OD2 2.88Å; T268-D271 WeakPolarHBondContact O-CB 3.5Å; T268-D271 PolarHBondContact O-N 3.27Å; T268-D271 PolarHBondContact OG1-N 3.39Å; T268-D271 VanDerWaalsContact OG1-N 3.16Å; T268-D271 PolarHBondContact OG1-OD2 3Å; D271-K274 PolarHBondContact O-N 3Å; D271-Y275 WeakPolarHBondContact O-CB 3.49Å; D271-Y275 PolarHBondContact O-N 3.26Å
272I98.9Very high98.8Very high0 Ų042 Ų420%020%0.204CC..Hα-helixtrans-71.9-34.4179-58.1-49.6000112.6P212 A267 T268 R269 W270 Y275 A276 F293 H297 A300 I301P212-I272 HydrophobicContact CG-CD1 4.42Å; A267-I272 HydrophobicContact CB-CD1 3.73Å; A267-I272 HydrophobicContact CB-CG1 4.17Å; T268-I272 WeakPolarHBondContact O-CG1 3.42Å; T268-I272 PolarHBondContact O-N 3.04Å; T268-I272 VanDerWaalsContact O-N 3.14Å; R269-I272 PolarHBondContact O-N 3.46Å; W270-I272 PolarHBondContact O-N 3.02Å; I272-Y275 HydrophobicContact CG2-CD1 4.13Å; I272-Y275 PolarHBondContact O-N 3.42Å; I272-A276 VanDerWaalsContact O-CB 3.31Å; I272-A276 WeakPolarHBondContact O-CB 3.36Å; I272-A276 PolarHBondContact O-N 3.47Å; I272-F293 HydrophobicContact CD1-CE1 3.81Å; I272-F293 HydrophobicContact CD1-CE2 4.26Å; I272-F293 HydrophobicContact CD1-CZ 3.52Å; I272-F293 HydrophobicContact CG1-CE1 4.23Å; I272-F293 HydrophobicContact CG1-CZ 4.42Å; I272-F293 HydrophobicContact CG2-CE1 3.91Å; I272-H297 HydrophobicContact CG1-CB 4.07Å; I272-H297 HydrophobicContact CG2-CB 4.44Å; I272-H297 WeakPolarHBondContact CG2-O 3.46Å; I272-A300 HydrophobicContact CB-CB 3.98Å; I272-A300 HydrophobicContact CG2-CB 3.91Å; I272-I301 HydrophobicContact CG2-CD1 4.36Å; I272-I301 HydrophobicContact CG2-CG1 3.51Å
273Q98.9Very high98.8Very high8 Ų843.3 Ų43.34%0.03722%0.218CC..Hα-helixtrans-63.5-45.8171.1-71.3-165.4-45.700111.2R269 W270 Y275 A276 R277 A300 E304R269-Q273 WeakPolarHBondContact O-CG 3.49Å; R269-Q273 PolarHBondContact O-N 2.75Å; W270-Q273 VanDerWaalsContact CE3-OE1 3.31Å; W270-Q273 PolarHBondContact O-N 2.82Å; Q273-Y275 PolarHBondContact O-N 3.29Å; Q273-A276 PolarHBondContact O-N 3.31Å; Q273-R277 PolarHBondContact O-N 3.13Å; Q273-A300 HydrophobicContact CG-CB 4.03Å; Q273-E304 HydrophobicContact CB-CB 4.08Å; Q273-E304 HydrophobicContact CB-CG 4.39Å; Q273-E304 HydrophobicContact CG-CB 4.03Å; Q273-E304 WeakPolarHBondContact O-CG 3.3Å
274K98.9Very high98.8Very high123 Ų12338.7 Ų38.754%0.53520%0.197SC..Hα-helixtrans-55.4-51.5174.1178.1-175.4170.1-173.90111.1W270 D271 A276 R277 E278W270-K274 PolarHBondContact O-N 3.31Å; D271-K274 PolarHBondContact O-N 3Å; K274-A276 PolarHBondContact O-N 3.39Å; K274-R277 PolarHBondContact O-N 3Å; K274-E278 WeakPolarHBondContact CE-OE1 3.37Å; K274-E278 WeakPolarHBondContact CG-OE1 3.35Å; K274-E278 IonicContact NZ-OE1 3.57Å; K274-E278 WeakPolarHBondContact O-CG 2.95Å; K274-E278 PolarHBondContact O-N 2.99Å
275Y98.9Very high98.9Very high1 Ų138.3 Ų38.30%0.00419%0.185CC..Hα-helixtrans-56-47.6176.3149.5-106000112.6P212 L216 V237 P239 D271 I272 Q273 R277 E278 A279 I287 G288 F293 I301P212-Y275 HydrophobicContact CB-CD2 3.66Å; P212-Y275 HydrophobicContact CB-CG 3.79Å; P212-Y275 HydrophobicContact CG-CG 4.39Å; L216-Y275 HydrophobicContact CD1-CD2 4.04Å; L216-Y275 HydrophobicContact CD2-CD2 4.46Å; L216-Y275 HydrophobicContact CD2-CE2 4.27Å; L216-Y275 HydrophobicContact CG-CD2 4.25Å; L216-Y275 HydrophobicContact CG-CE2 4.47Å; V237-Y275 HydrophobicContact CG1-CE2 3.84Å; V237-Y275 VanDerWaalsContact CG1-OH 3.29Å; V237-Y275 WeakPolarHBondContact CG1-OH 3.28Å; V237-Y275 PolarHBondContact O-OH 3.1Å; V237-Y275 VanDerWaalsContact O-OH 3.04Å; P239-Y275 VanDerWaalsContact CD-OH 3.26Å; P239-Y275 WeakPolarHBondContact CD-OH 3.17Å; P239-Y275 HydrophobicContact CG-CD2 4.23Å; P239-Y275 HydrophobicContact CG-CE1 4.25Å; P239-Y275 HydrophobicContact CG-CE2 3.69Å; D271-Y275 WeakPolarHBondContact O-CB 3.49Å; D271-Y275 PolarHBondContact O-N 3.26Å; I272-Y275 HydrophobicContact CG2-CD1 4.13Å; I272-Y275 PolarHBondContact O-N 3.42Å; Q273-Y275 PolarHBondContact O-N 3.29Å; Y275-R277 VanDerWaalsContact C-N 3.31Å; Y275-R277 PolarHBondContact O-N 2.97Å; Y275-E278 PolarHBondContact O-N 2.79Å; Y275-A279 HydrophobicContact CD2-CB 4.46Å; Y275-A279 HydrophobicContact CE2-CB 4.11Å; Y275-A279 VanDerWaalsContact O-CB 3.29Å; Y275-A279 WeakPolarHBondContact O-CB 3.35Å; Y275-A279 PolarHBondContact O-N 2.94Å; Y275-I287 HydrophobicContact CE1-CG2 3.8Å; Y275-I287 VanDerWaalsContact OH-CG2 3.28Å; Y275-I287 WeakPolarHBondContact OH-CG2 3.45Å; Y275-G288 PolarHBondContact OH-O 3.37Å; Y275-F293 HydrophobicContact CE1-CZ 4.26Å; Y275-I301 HydrophobicContact CE1-CD1 4.08Å; Y275-I301 HydrophobicContact CE1-CG1 4.29Å
276A98.9Very high98.9Very high0 Ų037.6 Ų37.60%018%0.183CC..Hα-helixtrans-62-41.2-177.900000111.6I272 Q273 K274 Y280 I301 E304 L305I272-A276 VanDerWaalsContact O-CB 3.31Å; I272-A276 WeakPolarHBondContact O-CB 3.36Å; I272-A276 PolarHBondContact O-N 3.47Å; Q273-A276 PolarHBondContact O-N 3.31Å; K274-A276 PolarHBondContact O-N 3.39Å; A276-Y280 WeakPolarHBondContact O-CB 3.38Å; A276-Y280 PolarHBondContact O-N 2.99Å; A276-I301 HydrophobicContact CB-CB 4.14Å; A276-I301 HydrophobicContact CB-CG1 4.34Å; A276-I301 HydrophobicContact CB-CG2 3.73Å; A276-E304 HydrophobicContact CB-CB 4.17Å; A276-E304 HydrophobicContact CB-CG 4.2Å; A276-L305 HydrophobicContact CB-CD1 4.41Å; A276-L305 HydrophobicContact CB-CG 4.4Å
277R98.9Very high98.9Very high53 Ų5335.5 Ų35.520%0.217%0.17CC..Hα-helixtrans-63.4-47.3175.1-17952.558.9-174.2-2111.7Q273 K274 Y275 Y280 N281 E304 E308Q273-R277 PolarHBondContact O-N 3.13Å; K274-R277 PolarHBondContact O-N 3Å; Y275-R277 VanDerWaalsContact C-N 3.31Å; Y275-R277 PolarHBondContact O-N 2.97Å; R277-Y280 PolarHBondContact O-N 3.03Å; R277-N281 WeakPolarHBondContact O-CB 3.32Å; R277-N281 PolarHBondContact O-N 3.26Å; R277-N281 PolarHBondContact O-ND2 3.44Å; R277-N281 PolarHBondContact O-OD1 2.94Å; R277-E304 HydrophobicContact CB-CG 4Å; R277-E304 IonicContact CZ-OE1 2.77Å; R277-E304 VanDerWaalsContact CZ-OE1 3.3Å; R277-E304 IonicContact NE-OE1 2.7Å; R277-E304 PolarHBondContact NE-OE1 2.9Å; R277-E304 PolarHBondContact NH2-O 2.92Å; R277-E304 IonicContact NH2-OE1 3.22Å; R277-E304 PolarHBondContact NH2-OE1 3.21Å; R277-E308 IonicContact CZ-OE1 2.81Å; R277-E308 IonicContact CZ-OE2 3.04Å; R277-E308 IonicContact NH1-OE1 2.86Å; R277-E308 PolarHBondContact NH1-OE1 3.25Å; R277-E308 IonicContact NH1-OE2 3.09Å; R277-E308 IonicContact NH2-OE1 3.52Å; R277-E308 PolarHBondContact NH2-OE1 3.26Å; R277-E308 VanDerWaalsContact NH2-OE1 3.14Å; R277-E308 IonicContact NH2-OE2 2.59Å; R277-E308 PolarHBondContact NH2-OE2 2.95Å; R277-E308 VanDerWaalsContact NH2-OE2 3.09Å
278E98.9Very high98.9Very high78 Ų7835.4 Ų35.436%0.36417%0.169SC..Hα-helixtrans-63.2-44.4178.7-71172.3177.700111.7L216 K274 Y275 Y280 N281 L282L216-E278 HydrophobicContact CD1-CB 3.53Å; K274-E278 WeakPolarHBondContact CE-OE1 3.37Å; K274-E278 WeakPolarHBondContact CG-OE1 3.35Å; K274-E278 IonicContact NZ-OE1 3.57Å; K274-E278 WeakPolarHBondContact O-CG 2.95Å; K274-E278 PolarHBondContact O-N 2.99Å; Y275-E278 PolarHBondContact O-N 2.79Å; E278-Y280 PolarHBondContact O-N 2.84Å; E278-N281 PolarHBondContact O-N 2.93Å; E278-L282 WeakPolarHBondContact O-CB 3.32Å; E278-L282 PolarHBondContact O-N 3.22Å
279A98.9Very high98.9Very high0 Ų033.5 Ų33.50%016%0.158CC..Hα-helixtrans-58.9-48.1175.100000111.7L216 V237 Y275 N281 L282 G283 V284 I287L216-A279 HydrophobicContact CD2-CB 3.77Å; V237-A279 HydrophobicContact CG1-CB 4.14Å; Y275-A279 HydrophobicContact CD2-CB 4.46Å; Y275-A279 HydrophobicContact CE2-CB 4.11Å; Y275-A279 VanDerWaalsContact O-CB 3.29Å; Y275-A279 WeakPolarHBondContact O-CB 3.35Å; Y275-A279 PolarHBondContact O-N 2.94Å; A279-N281 PolarHBondContact O-N 3.39Å; A279-L282 PolarHBondContact O-N 3.26Å; A279-G283 PolarHBondContact O-N 3.25Å; A279-V284 HydrophobicContact CB-CB 4.22Å; A279-V284 HydrophobicContact CB-CG2 4.39Å; A279-V284 VanDerWaalsContact O-CB 3.22Å; A279-V284 WeakPolarHBondContact O-CB 3.38Å; A279-V284 WeakPolarHBondContact O-CG2 2.93Å; A279-V284 PolarHBondContact O-N 3.25Å; A279-I287 HydrophobicContact CB-CD1 3.96Å; A279-I287 HydrophobicContact CB-CG1 4.19Å; A279-I287 HydrophobicContact CB-CG2 4.19Å
280Y98.9Very high98.9Very high53 Ų5330.7 Ų30.721%0.20815%0.15CC..Hα-helixtrans-60.8-44.7178.6179-93.1000112V22 A276 R277 E278 L282 G283 R285 L305 E308V22-Y280 HydrophobicContact CG2-CD2 3.74Å; V22-Y280 HydrophobicContact CG2-CE2 3.61Å; A276-Y280 WeakPolarHBondContact O-CB 3.38Å; A276-Y280 PolarHBondContact O-N 2.99Å; R277-Y280 PolarHBondContact O-N 3.03Å; E278-Y280 PolarHBondContact O-N 2.84Å; Y280-L282 VanDerWaalsContact C-N 3.32Å; Y280-L282 PolarHBondContact O-N 2.96Å; Y280-G283 PolarHBondContact O-N 3.42Å; Y280-R285 VanDerWaalsContact CE2-CZ 3.46Å; Y280-R285 PolarHBondContact O-NH1 3.46Å; Y280-L305 HydrophobicContact CD2-CD2 4.26Å; Y280-L305 HydrophobicContact CG-CD2 3.95Å; Y280-E308 HydrophobicContact CE1-CG 3.84Å; Y280-E308 HydrophobicContact CE2-CB 4.32Å; Y280-E308 HydrophobicContact CE2-CG 4.1Å
281N98.9Very high98.9Very high109 Ų10930.1 Ų30.158%0.58315%0.151SC*.Hα-helixtrans-64.9-34.3178.5-70.5-11.8000112.4R277 E278 A279 G283R277-N281 WeakPolarHBondContact O-CB 3.32Å; R277-N281 PolarHBondContact O-N 3.26Å; R277-N281 PolarHBondContact O-ND2 3.44Å; R277-N281 PolarHBondContact O-OD1 2.94Å; E278-N281 PolarHBondContact O-N 2.93Å; A279-N281 PolarHBondContact O-N 3.39Å; N281-G283 PolarHBondContact O-N 3.23Å
282L98.8Very high98.8Very high30 Ų3027.8 Ų27.816%0.15714%0.138CC..Hα-helixtrans-66.4-17.7173.8-17759.8000112.6L216 M219 E220 K223 E278 A279 Y280 V284L216-L282 HydrophobicContact CD2-CD2 4.27Å; M219-L282 HydrophobicContact CB-CD2 3.72Å; E220-L282 HydrophobicContact CB-CD1 4.15Å; E220-L282 HydrophobicContact CB-CD2 4.5Å; E220-L282 HydrophobicContact CG-CD1 4.32Å; K223-L282 HydrophobicContact CD-CD1 4.35Å; K223-L282 PolarHBondContact NZ-O 2.96Å; E278-L282 WeakPolarHBondContact O-CB 3.32Å; E278-L282 PolarHBondContact O-N 3.22Å; A279-L282 PolarHBondContact O-N 3.26Å; Y280-L282 VanDerWaalsContact C-N 3.32Å; Y280-L282 PolarHBondContact O-N 2.96Å; L282-V284 HydrophobicContact CB-CG2 4.46Å; L282-V284 HydrophobicContact CD2-CG2 4.35Å
283G98.7Very high98.8Very high31 Ų3127.8 Ų27.832%0.3214%0.138SC..THydrogen-bonded Turntrans103.38.1-178.300000113.7A279 Y280 N281A279-G283 PolarHBondContact O-N 3.25Å; Y280-G283 PolarHBondContact O-N 3.42Å; N281-G283 PolarHBondContact O-N 3.23Å
284V98.9Very high98.8Very high0 Ų029.1 Ų29.10%015%0.145CC..  trans-68.4136.5174.6-170.50000109.7M219 L235 V237 A279 L282 Y286 I287M219-V284 HydrophobicContact CE-CG2 4.44Å; L235-V284 HydrophobicContact CB-CB 4.42Å; L235-V284 HydrophobicContact CB-CG1 4.37Å; L235-V284 HydrophobicContact CB-CG2 4.18Å; L235-V284 VanDerWaalsContact O-CG1 3.31Å; L235-V284 WeakPolarHBondContact O-CG1 2.98Å; V237-V284 HydrophobicContact CB-CG1 4.31Å; V237-V284 HydrophobicContact CG1-CB 4.47Å; V237-V284 HydrophobicContact CG1-CG1 3.74Å; V237-V284 HydrophobicContact CG1-CG2 4.36Å; A279-V284 HydrophobicContact CB-CB 4.22Å; A279-V284 HydrophobicContact CB-CG2 4.39Å; A279-V284 VanDerWaalsContact O-CB 3.22Å; A279-V284 WeakPolarHBondContact O-CB 3.38Å; A279-V284 WeakPolarHBondContact O-CG2 2.93Å; A279-V284 PolarHBondContact O-N 3.25Å; L282-V284 HydrophobicContact CB-CG2 4.46Å; L282-V284 HydrophobicContact CD2-CG2 4.35Å; V284-Y286 WeakPolarHBondContact CG1-O 3.24Å; V284-I287 HydrophobicContact CB-CG1 4.18Å; V284-I287 HydrophobicContact CG1-CG1 3.78Å
285R98.8Very high98.8Very high56 Ų5624.4 Ų24.421%0.21113%0.126CC..  trans-126-13.2-179.8-67.5-64.6178-86.53.3113.9L17 V23 L235 Y280L17-R285 HydrophobicContact CD2-CB 3.74Å; V23-R285 PolarHBondContact N-O 3.44Å; L235-R285 PolarHBondContact O-N 3.33Å; Y280-R285 VanDerWaalsContact CE2-CZ 3.46Å; Y280-R285 PolarHBondContact O-NH1 3.46Å
286Y98.9Very high98.8Very high0 Ų027.9 Ų27.90%014%0.14CC..EExtended strand (participates in β ladder)trans-104.4108.9159.6-170-51.7000108.5I13 V23 V70 F146 L235 M236 V237 Q238 V284I13-Y286 HydrophobicContact CD1-CD2 4.36Å; V23-Y286 HydrophobicContact CB-CD2 4.39Å; V23-Y286 HydrophobicContact CG1-CD2 3.94Å; V23-Y286 HydrophobicContact CG1-CE2 4.13Å; V23-Y286 HydrophobicContact CG1-CG 4.37Å; V23-Y286 WeakPolarHBondContact O-CA 3.38Å; V70-Y286 WeakPolarHBondContact CG1-OH 3.49Å; V70-Y286 HydrophobicContact CG2-CE2 3.87Å; F146-Y286 HydrophobicContact CE2-CE2 4.28Å; F146-Y286 HydrophobicContact CZ-CE2 4.03Å; L235-Y286 PolarHBondContact O-N 3.04Å; L235-Y286 VanDerWaalsContact O-N 3.16Å; M236-Y286 WeakPolarHBondContact CA-O 3.4Å; M236-Y286 HydrophobicContact CB-CD1 4.49Å; M236-Y286 HydrophobicContact CB-CG 4.2Å; M236-Y286 HydrophobicContact CE-CD1 4.05Å; M236-Y286 HydrophobicContact CE-CD2 4.42Å; M236-Y286 HydrophobicContact CE-CE1 3.64Å; M236-Y286 HydrophobicContact CE-CE2 4.03Å; M236-Y286 HydrophobicContact CE-CG 4.44Å; M236-Y286 HydrophobicContact CG-CD1 3.61Å; M236-Y286 HydrophobicContact CG-CD2 4.3Å; M236-Y286 HydrophobicContact CG-CE1 4.19Å; M236-Y286 HydrophobicContact CG-CG 3.69Å; M236-Y286 HydrophobicContact SD-CD1 4.04Å; M236-Y286 HydrophobicContact SD-CD2 3.9Å; M236-Y286 HydrophobicContact SD-CE1 4.19Å; M236-Y286 HydrophobicContact SD-CE2 4.03Å; M236-Y286 HydrophobicContact SD-CG 3.91Å; V237-Y286 PolarHBondContact N-O 3.35Å; Q238-Y286 HydrophobicContact CG-CE1 4.29Å; V284-Y286 WeakPolarHBondContact CG1-O 3.24Å
287I98.9Very high98.8Very high0 Ų027.9 Ų27.90%014%0.14CC..EExtended strand (participates in β ladder)trans-125.1114.7-175-53.6172.2000108.3V22 V23 I24 G25 Y275 A279 V284 I301 L305V22-I287 HydrophobicContact CG1-CD1 4.17Å; V23-I287 PolarHBondContact O-N 3.35Å; I24-I287 WeakPolarHBondContact CA-O 3.28Å; G25-I287 PolarHBondContact N-O 2.74Å; Y275-I287 HydrophobicContact CE1-CG2 3.8Å; Y275-I287 VanDerWaalsContact OH-CG2 3.28Å; Y275-I287 WeakPolarHBondContact OH-CG2 3.45Å; A279-I287 HydrophobicContact CB-CD1 3.96Å; A279-I287 HydrophobicContact CB-CG1 4.19Å; A279-I287 HydrophobicContact CB-CG2 4.19Å; V284-I287 HydrophobicContact CB-CG1 4.18Å; V284-I287 HydrophobicContact CG1-CG1 3.78Å; I287-I301 HydrophobicContact CB-CG2 4.12Å; I287-I301 HydrophobicContact CG2-CD1 4.34Å; I287-I301 HydrophobicContact CG2-CG2 3.63Å; I287-L305 HydrophobicContact CD1-CD1 3.64Å
288G98.9Very high98.8Very high0 Ų025.4 Ų25.40%013%0.131CC..  trans-143.7-151.9-178.800000111.7V237 Y275V237-G288 PolarHBondContact O-N 3.18Å; Y275-G288 PolarHBondContact OH-O 3.37Å
289G98.7Very high98.8Very high1 Ų122.9 Ų22.91%0.0112%0.118CC..  trans-152166.9174.300000113.2D26 Q238 F293D26-G289 PolarHBondContact O-N 3.14Å; D26-G289 VanDerWaalsContact O-N 3.11Å; D26-G289 VanDerWaalsContact O-O 3.11Å; Q238-G289 PolarHBondContact NE2-O 3.21Å; G289-F293 VanDerWaalsContact CA-CD2 3.48Å; G289-F293 VanDerWaalsContact CA-CG 3.49Å
290C98.6Very high98.8Very high19 Ų1923 Ų2313%0.12812%0.118CC..  trans-119.3-140.1179.5-165.30000110S28 C208 Q238 P239 G292 F293S28-C290 WeakPolarHBondContact CB-O 3.37Å; S28-C290 PolarHBondContact N-O 3.44Å; C208-C290 HydrophobicContact CB-CB 4.24Å; C208-C290 WeakPolarHBondContact CB-SG 3.38Å; C208-C290 VanDerWaalsContact SG-SG 3.68Å; Q238-C290 VanDerWaalsContact O-CB 3.23Å; Q238-C290 WeakPolarHBondContact O-CB 3.37Å; P239-C290 PolarHBondContact O-N 3.16Å; C290-G292 PolarHBondContact O-N 3.03Å; C290-F293 WeakPolarHBondContact O-CB 3.22Å; C290-F293 PolarHBondContact O-N 3.44Å
291C98.5Very high98.8Very high20 Ų2020.4 Ų20.414%0.13511%0.108CC..THydrogen-bonded Turntrans-50.9126.1-178.1-66.60000112.7S28 I31 L240 G241 F242 F252S28-C291 WeakPolarHBondContact OG-CA 3.23Å; I31-C291 HydrophobicContact CG1-CB 3.82Å; L240-C291 WeakPolarHBondContact CA-O 3.32Å; L240-C291 HydrophobicContact CD2-CB 3.62Å; G241-C291 PolarHBondContact N-O 3.16Å; F242-C291 HydrophobicContact CE2-CB 4.32Å; F242-C291 WeakPolarHBondContact CE2-O 3.29Å; F252-C291 HydrophobicContact CZ-CB 4.29Å
292G98.3Very high98.8Very high1 Ų115.2 Ų15.21%0.018%0.081CC..THydrogen-bonded Turntrans93.1-10.5-176.800000115.5C290 E294 H297C290-G292 PolarHBondContact O-N 3.03Å; G292-E294 PolarHBondContact O-N 3.16Å; G292-H297 PolarHBondContact O-CE1 3.42Å; G292-H297 VanDerWaalsContact O-CE1 3.32Å; G292-H297 PolarHBondContact O-ND1 3.21Å; G292-H297 VanDerWaalsContact O-ND1 3.15Å
293F98.8Very high98.8Very high0 Ų014.9 Ų14.90%08%0.078CC..  trans-76.3103173-87-108000112.2S28 F63 P239 L240 G241 I272 Y275 G289 C290 H297 I298 I301S28-F293 PolarHBondContact N-O 3.29Å; F63-F293 WeakPolarHBondContact CZ-O 3.45Å; P239-F293 HydrophobicContact CG-CE2 4.05Å; P239-F293 HydrophobicContact CG-CZ 4.04Å; P239-F293 WeakPolarHBondContact O-CD2 3.36Å; P239-F293 WeakPolarHBondContact O-CE2 3.34Å; L240-F293 VanDerWaalsContact C-CE2 3.48Å; G241-F293 VanDerWaalsContact N-CD2 3.33Å; I272-F293 HydrophobicContact CD1-CE1 3.81Å; I272-F293 HydrophobicContact CD1-CE2 4.26Å; I272-F293 HydrophobicContact CD1-CZ 3.52Å; I272-F293 HydrophobicContact CG1-CE1 4.23Å; I272-F293 HydrophobicContact CG1-CZ 4.42Å; I272-F293 HydrophobicContact CG2-CE1 3.91Å; Y275-F293 HydrophobicContact CE1-CZ 4.26Å; G289-F293 VanDerWaalsContact CA-CD2 3.48Å; G289-F293 VanDerWaalsContact CA-CG 3.49Å; C290-F293 WeakPolarHBondContact O-CB 3.22Å; C290-F293 PolarHBondContact O-N 3.44Å; F293-H297 WeakPolarHBondContact CA-ND1 3.33Å; F293-H297 HydrophobicContact CB-CB 4.41Å; F293-H297 HydrophobicContact CD1-CB 3.42Å; F293-H297 VanDerWaalsContact CD1-CB 3.42Å; F293-H297 HydrophobicContact CE1-CB 3.96Å; F293-H297 HydrophobicContact CG-CB 4.11Å; F293-I298 HydrophobicContact CB-CD1 4.47Å; F293-I298 HydrophobicContact CD1-CD1 3.82Å; F293-I301 HydrophobicContact CE1-CD1 4.06Å
294E98.9Very high98.8Very high37 Ų3714 Ų1417%0.1737%0.066CC..  trans-82165.5168.7-66.2-61.8152.100111.8T32 G292 Y296 H297 I298T32-E294 VanDerWaalsContact CG2-OE2 3.25Å; T32-E294 WeakPolarHBondContact CG2-OE2 3.44Å; T32-E294 VanDerWaalsContact OG1-CD 3.24Å; T32-E294 PolarHBondContact OG1-OE1 3.15Å; T32-E294 PolarHBondContact OG1-OE2 3Å; G292-E294 PolarHBondContact O-N 3.16Å; E294-Y296 HydrophobicContact CB-CD1 3.62Å; E294-Y296 HydrophobicContact CB-CE1 3.68Å; E294-Y296 HydrophobicContact CG-CE1 4.21Å; E294-Y296 PolarHBondContact O-N 3.3Å; E294-H297 PolarHBondContact N-ND1 3.09Å; E294-H297 VanDerWaalsContact N-ND1 3.1Å; E294-H297 VanDerWaalsContact O-CB 3.3Å; E294-H297 WeakPolarHBondContact O-CB 3.43Å; E294-H297 PolarHBondContact O-N 3.08Å; E294-I298 PolarHBondContact O-N 3.32Å
295P98.9Very high98.8Very high23 Ų2314 Ų1415%0.1497%0.066CC..Hα-helixtrans-53.4-33.1-179.4-29.635.3000114.6L59 E62 F63 A66 H297 I298 R299L59-P295 HydrophobicContact CD1-CG 4.32Å; E62-P295 HydrophobicContact CB-CB 4Å; E62-P295 HydrophobicContact CB-CG 3.61Å; F63-P295 HydrophobicContact CD1-CB 4.36Å; F63-P295 HydrophobicContact CD1-CG 4.21Å; F63-P295 HydrophobicContact CE1-CB 4.47Å; F63-P295 HydrophobicContact CE1-CG 4.05Å; A66-P295 HydrophobicContact CB-CB 4.39Å; A66-P295 WeakPolarHBondContact CB-O 3.41Å; P295-H297 VanDerWaalsContact C-N 3.29Å; P295-H297 PolarHBondContact O-N 3.42Å; P295-I298 PolarHBondContact O-N 3.24Å; P295-R299 PolarHBondContact O-N 3.12Å
296Y98.9Very high98.8Very high75 Ų7511.9 Ų11.929%0.2946%0.06SC..Hα-helixtrans-72.4-21.7178.483-86.8000113.7A267 R269 E294 A300A267-Y296 PolarHBondContact O-OH 3.27Å; R269-Y296 HydrophobicContact CB-CD2 4.01Å; R269-Y296 HydrophobicContact CB-CE2 4.11Å; E294-Y296 HydrophobicContact CB-CD1 3.62Å; E294-Y296 HydrophobicContact CB-CE1 3.68Å; E294-Y296 HydrophobicContact CG-CE1 4.21Å; E294-Y296 PolarHBondContact O-N 3.3Å; Y296-A300 PolarHBondContact O-N 2.94Å; Y296-A300 VanDerWaalsContact O-N 3.13Å
297H98.9Very high98.8Very high0 Ų016.7 Ų16.70%09%0.092CC..Hα-helixtrans-71.4-44.9170.8-62.9145.5000110.3A267 I272 G292 F293 E294 P295 R299 A300 I301A267-H297 PolarHBondContact O-NE2 2.88Å; I272-H297 HydrophobicContact CG1-CB 4.07Å; I272-H297 HydrophobicContact CG2-CB 4.44Å; I272-H297 WeakPolarHBondContact CG2-O 3.46Å; G292-H297 PolarHBondContact O-CE1 3.42Å; G292-H297 VanDerWaalsContact O-CE1 3.32Å; G292-H297 PolarHBondContact O-ND1 3.21Å; G292-H297 VanDerWaalsContact O-ND1 3.15Å; F293-H297 WeakPolarHBondContact CA-ND1 3.33Å; F293-H297 HydrophobicContact CB-CB 4.41Å; F293-H297 HydrophobicContact CD1-CB 3.42Å; F293-H297 VanDerWaalsContact CD1-CB 3.42Å; F293-H297 HydrophobicContact CE1-CB 3.96Å; F293-H297 HydrophobicContact CG-CB 4.11Å; E294-H297 PolarHBondContact N-ND1 3.09Å; E294-H297 VanDerWaalsContact N-ND1 3.1Å; E294-H297 VanDerWaalsContact O-CB 3.3Å; E294-H297 WeakPolarHBondContact O-CB 3.43Å; E294-H297 PolarHBondContact O-N 3.08Å; P295-H297 VanDerWaalsContact C-N 3.29Å; P295-H297 PolarHBondContact O-N 3.42Å; H297-R299 VanDerWaalsContact C-N 3.29Å; H297-R299 PolarHBondContact O-N 2.81Å; H297-A300 WeakPolarHBondContact O-CA 3.46Å; H297-A300 VanDerWaalsContact O-CB 3.24Å; H297-A300 WeakPolarHBondContact O-CB 3.27Å; H297-A300 PolarHBondContact O-N 3.25Å; H297-I301 PolarHBondContact O-N 2.69Å
298I98.9Very high98.8Very high0 Ų020.1 Ų20.10%011%0.108CC..Hα-helixtrans-60.6-41.2174.9-58.9-52000111.2I24 D26 F63 A66 F293 E294 P295 A300 I301 A302I24-I298 HydrophobicContact CG2-CG2 3.72Å; D26-I298 VanDerWaalsContact O-CD1 3.29Å; D26-I298 WeakPolarHBondContact O-CD1 3.23Å; F63-I298 HydrophobicContact CD1-CB 4.33Å; F63-I298 HydrophobicContact CD1-CG1 3.63Å; F63-I298 HydrophobicContact CE1-CG1 3.83Å; A66-I298 HydrophobicContact CB-CB 3.94Å; A66-I298 HydrophobicContact CB-CG2 3.96Å; F293-I298 HydrophobicContact CB-CD1 4.47Å; F293-I298 HydrophobicContact CD1-CD1 3.82Å; E294-I298 PolarHBondContact O-N 3.32Å; P295-I298 PolarHBondContact O-N 3.24Å; I298-A300 VanDerWaalsContact C-N 3.25Å; I298-A300 PolarHBondContact O-N 2.87Å; I298-I301 HydrophobicContact CD1-CD1 4.12Å; I298-I301 PolarHBondContact O-N 3.17Å; I298-A302 PolarHBondContact O-N 3.05Å; I298-A302 VanDerWaalsContact O-N 3.08Å
299R98.9Very high98.8Very high26 Ų2621.7 Ų21.710%0.09811%0.114CC..Hα-helixtrans-58.2-39.3172.3-171.1-169.867-148.5-9.1111.7A66 P295 H297 I301 A302 E303 P313 A315 H319A66-R299 HydrophobicContact CB-CB 4.21Å; A66-R299 WeakPolarHBondContact O-CA 3.4Å; P295-R299 PolarHBondContact O-N 3.12Å; H297-R299 VanDerWaalsContact C-N 3.29Å; H297-R299 PolarHBondContact O-N 2.81Å; R299-I301 PolarHBondContact O-N 2.86Å; R299-A302 PolarHBondContact O-N 3.23Å; R299-E303 WeakPolarHBondContact CD-OE1 3.11Å; R299-E303 HydrophobicContact CG-CG 4.01Å; R299-E303 IonicContact NE-OE1 3.25Å; R299-E303 PolarHBondContact NE-OE1 3.25Å; R299-E303 IonicContact NE-OE2 3.88Å; R299-E303 WeakPolarHBondContact O-CB 3.43Å; R299-E303 VanDerWaalsContact O-CG 3.3Å; R299-E303 WeakPolarHBondContact O-CG 3.46Å; R299-E303 PolarHBondContact O-N 2.95Å; R299-P313 HydrophobicContact CG-CG 3.98Å; R299-A315 HydrophobicContact CG-CB 4.11Å; R299-H319 VanDerWaalsContact CZ-CG 3.42Å; R299-H319 PolarHBondContact NH2-CD2 2.81Å
300A98.9Very high98.8Very high1 Ų125 Ų251%0.00815%0.147CC..Hα-helixtrans-62.4-41.8179.200000112.2R269 I272 Q273 Y296 H297 I298 E303 E304R269-A300 HydrophobicContact CB-CB 3.98Å; R269-A300 WeakPolarHBondContact O-CB 3.42Å; I272-A300 HydrophobicContact CB-CB 3.98Å; I272-A300 HydrophobicContact CG2-CB 3.91Å; Q273-A300 HydrophobicContact CG-CB 4.03Å; Y296-A300 PolarHBondContact O-N 2.94Å; Y296-A300 VanDerWaalsContact O-N 3.13Å; H297-A300 WeakPolarHBondContact O-CA 3.46Å; H297-A300 VanDerWaalsContact O-CB 3.24Å; H297-A300 WeakPolarHBondContact O-CB 3.27Å; H297-A300 PolarHBondContact O-N 3.25Å; I298-A300 VanDerWaalsContact C-N 3.25Å; I298-A300 PolarHBondContact O-N 2.87Å; A300-E303 PolarHBondContact O-N 2.88Å; A300-E304 WeakPolarHBondContact O-CB 3.45Å; A300-E304 PolarHBondContact O-N 2.93Å
301I98.9Very high98.7Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-59.5-50.5173.2-51.3173000109.9I24 I272 Y275 A276 I287 F293 H297 I298 R299 E303 E304 L305I24-I301 HydrophobicContact CD1-CB 4.28Å; I24-I301 HydrophobicContact CD1-CG2 3.5Å; I24-I301 VanDerWaalsContact CD1-CG2 3.5Å; I272-I301 HydrophobicContact CG2-CD1 4.36Å; I272-I301 HydrophobicContact CG2-CG1 3.51Å; Y275-I301 HydrophobicContact CE1-CD1 4.08Å; Y275-I301 HydrophobicContact CE1-CG1 4.29Å; A276-I301 HydrophobicContact CB-CB 4.14Å; A276-I301 HydrophobicContact CB-CG1 4.34Å; A276-I301 HydrophobicContact CB-CG2 3.73Å; I287-I301 HydrophobicContact CB-CG2 4.12Å; I287-I301 HydrophobicContact CG2-CD1 4.34Å; I287-I301 HydrophobicContact CG2-CG2 3.63Å; F293-I301 HydrophobicContact CE1-CD1 4.06Å; H297-I301 PolarHBondContact O-N 2.69Å; I298-I301 HydrophobicContact CD1-CD1 4.12Å; I298-I301 PolarHBondContact O-N 3.17Å; R299-I301 PolarHBondContact O-N 2.86Å; I301-E303 VanDerWaalsContact C-N 3.34Å; I301-E303 PolarHBondContact O-N 3.36Å; I301-E304 PolarHBondContact O-N 2.77Å; I301-L305 HydrophobicContact CG2-CD1 4.17Å; I301-L305 PolarHBondContact O-N 3.09Å; I301-L305 VanDerWaalsContact O-N 3.13Å
302A98.9Very high98.8Very high0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-64.2-35.4-178.100000113.3I298 R299 A306 P313I298-A302 PolarHBondContact O-N 3.05Å; I298-A302 VanDerWaalsContact O-N 3.08Å; R299-A302 PolarHBondContact O-N 3.23Å; A302-A306 PolarHBondContact O-N 2.85Å; A302-P313 HydrophobicContact CB-CB 4.2Å; A302-P313 HydrophobicContact CB-CG 3.77Å
303E98.9Very high98.8Very high23 Ų2333.2 Ų33.211%0.10718%0.183CC..Hα-helixtrans-72.9-41.1176.7-77.2178.4163.400112.6R299 A300 I301 L305 A306 L312 S316 H319R299-E303 WeakPolarHBondContact CD-OE1 3.11Å; R299-E303 HydrophobicContact CG-CG 4.01Å; R299-E303 IonicContact NE-OE1 3.25Å; R299-E303 PolarHBondContact NE-OE1 3.25Å; R299-E303 IonicContact NE-OE2 3.88Å; R299-E303 WeakPolarHBondContact O-CB 3.43Å; R299-E303 VanDerWaalsContact O-CG 3.3Å; R299-E303 WeakPolarHBondContact O-CG 3.46Å; R299-E303 PolarHBondContact O-N 2.95Å; A300-E303 PolarHBondContact O-N 2.88Å; I301-E303 VanDerWaalsContact C-N 3.34Å; I301-E303 PolarHBondContact O-N 3.36Å; E303-L305 VanDerWaalsContact C-N 3.28Å; E303-L305 PolarHBondContact O-N 3.25Å; E303-A306 WeakPolarHBondContact O-CB 3.42Å; E303-A306 PolarHBondContact O-N 3.09Å; E303-L312 HydrophobicContact CB-CD2 4.44Å; E303-L312 HydrophobicContact CG-CD2 3.95Å; E303-S316 VanDerWaalsContact CG-OG 3.25Å; E303-S316 WeakPolarHBondContact CG-OG 2.85Å; E303-S316 WeakPolarHBondContact OE1-CB 3.44Å; E303-S316 PolarHBondContact OE1-OG 3.39Å; E303-H319 IonicContact OE1-CE1 2.95Å; E303-H319 IonicContact OE1-CG 3.97Å; E303-H319 IonicContact OE1-ND1 3.12Å; E303-H319 PolarHBondContact OE1-ND1 2.89Å; E303-H319 IonicContact OE2-CE1 3.44Å; E303-H319 PolarHBondContact OE2-CE1 2.86Å; E303-H319 IonicContact OE2-ND1 2.68Å; E303-H319 PolarHBondContact OE2-ND1 3.45Å
304E98.9Very high98.8Very high12 Ų1236.2 Ų36.26%0.05620%0.203CC..Hα-helixtrans-62.1-40.1176.4176.158.2-151.200111.5Q273 A276 R277 A300 I301 P307Q273-E304 HydrophobicContact CB-CB 4.08Å; Q273-E304 HydrophobicContact CB-CG 4.39Å; Q273-E304 HydrophobicContact CG-CB 4.03Å; Q273-E304 WeakPolarHBondContact O-CG 3.3Å; A276-E304 HydrophobicContact CB-CB 4.17Å; A276-E304 HydrophobicContact CB-CG 4.2Å; R277-E304 HydrophobicContact CB-CG 4Å; R277-E304 IonicContact CZ-OE1 2.77Å; R277-E304 VanDerWaalsContact CZ-OE1 3.3Å; R277-E304 IonicContact NE-OE1 2.7Å; R277-E304 PolarHBondContact NE-OE1 2.9Å; R277-E304 PolarHBondContact NH2-O 2.92Å; R277-E304 IonicContact NH2-OE1 3.22Å; R277-E304 PolarHBondContact NH2-OE1 3.21Å; A300-E304 WeakPolarHBondContact O-CB 3.45Å; A300-E304 PolarHBondContact O-N 2.93Å; I301-E304 PolarHBondContact O-N 2.77Å; E304-P307 WeakPolarHBondContact O-CD 3.29Å
305L98.9Very high98.7Very high0 Ų035.2 Ų35.20%020%0.2CC..THydrogen-bonded Turntrans-96.19.8-176.8-55.6-179.5000113V22 A276 Y280 I287 I301 E303 P307 E308 R309V22-L305 HydrophobicContact CG1-CD1 3.85Å; A276-L305 HydrophobicContact CB-CD1 4.41Å; A276-L305 HydrophobicContact CB-CG 4.4Å; Y280-L305 HydrophobicContact CD2-CD2 4.26Å; Y280-L305 HydrophobicContact CG-CD2 3.95Å; I287-L305 HydrophobicContact CD1-CD1 3.64Å; I301-L305 HydrophobicContact CG2-CD1 4.17Å; I301-L305 PolarHBondContact O-N 3.09Å; I301-L305 VanDerWaalsContact O-N 3.13Å; E303-L305 VanDerWaalsContact C-N 3.28Å; E303-L305 PolarHBondContact O-N 3.25Å; L305-P307 VanDerWaalsContact C-CD 3.44Å; L305-E308 WeakPolarHBondContact CA-OE2 3.21Å; L305-E308 PolarHBondContact O-N 2.93Å; L305-R309 WeakPolarHBondContact O-CB 3.37Å; L305-R309 VanDerWaalsContact O-CG 3.23Å; L305-R309 WeakPolarHBondContact O-CG 3.49Å; L305-R309 PolarHBondContact O-N 3.12Å
306A98.8Very high98.7Very high11 Ų1134.8 Ų34.89%0.09120%0.198CC..Hα-helixtrans-59.3-38.2175.700000113.3A302 E303 E308 R309 G310 F311 L312A302-A306 PolarHBondContact O-N 2.85Å; E303-A306 WeakPolarHBondContact O-CB 3.42Å; E303-A306 PolarHBondContact O-N 3.09Å; A306-E308 VanDerWaalsContact C-N 3.33Å; A306-E308 PolarHBondContact O-N 2.59Å; A306-R309 PolarHBondContact O-N 2.83Å; A306-G310 WeakPolarHBondContact O-CA 3.35Å; A306-G310 PolarHBondContact O-N 2.94Å; A306-F311 WeakPolarHBondContact CA-O 3.47Å; A306-F311 VanDerWaalsContact CB-O 3.32Å; A306-F311 WeakPolarHBondContact CB-O 2.88Å; A306-F311 PolarHBondContact O-N 3.45Å; A306-L312 HydrophobicContact CB-CD2 3.58Å; A306-L312 HydrophobicContact CB-CG 4.1Å
307P98.6Very high98.7Very high102 Ų10237.9 Ų37.966%0.66222%0.215SC*.Hα-helixtrans-60.3-40.1174.5-24.335.9000113.1E304 L305E304-P307 WeakPolarHBondContact O-CD 3.29Å; L305-P307 VanDerWaalsContact C-CD 3.44Å
308E98.7Very high98.7Very high72 Ų7246.2 Ų46.234%0.33625%0.252SS..Hα-helixtrans-74.2-35.8178.2-68.971.1-160.300112.5R277 Y280 L305 A306R277-E308 IonicContact CZ-OE1 2.81Å; R277-E308 IonicContact CZ-OE2 3.04Å; R277-E308 IonicContact NH1-OE1 2.86Å; R277-E308 PolarHBondContact NH1-OE1 3.25Å; R277-E308 IonicContact NH1-OE2 3.09Å; R277-E308 IonicContact NH2-OE1 3.52Å; R277-E308 PolarHBondContact NH2-OE1 3.26Å; R277-E308 VanDerWaalsContact NH2-OE1 3.14Å; R277-E308 IonicContact NH2-OE2 2.59Å; R277-E308 PolarHBondContact NH2-OE2 2.95Å; R277-E308 VanDerWaalsContact NH2-OE2 3.09Å; Y280-E308 HydrophobicContact CE1-CG 3.84Å; Y280-E308 HydrophobicContact CE2-CB 4.32Å; Y280-E308 HydrophobicContact CE2-CG 4.1Å; L305-E308 WeakPolarHBondContact CA-OE2 3.21Å; L305-E308 PolarHBondContact O-N 2.93Å; A306-E308 VanDerWaalsContact C-N 3.33Å; A306-E308 PolarHBondContact O-N 2.59Å
309R98.3Very high98.7Very high33 Ų3348.2 Ų48.213%0.12526%0.261CS..Hα-helixtrans-84.1-21.9-178.4-65.617176.9-148.710.2113.2V22 I24 G67 N69 L305 A306 F311V22-R309 HydrophobicContact CB-CG 4.14Å; I24-R309 VanDerWaalsContact CG1-CZ 3.42Å; G67-R309 PolarHBondContact O-NH2 2.67Å; N69-R309 PolarHBondContact OD1-NH2 2.93Å; L305-R309 WeakPolarHBondContact O-CB 3.37Å; L305-R309 VanDerWaalsContact O-CG 3.23Å; L305-R309 WeakPolarHBondContact O-CG 3.49Å; L305-R309 PolarHBondContact O-N 3.12Å; A306-R309 PolarHBondContact O-N 2.83Å; R309-F311 HydrophobicContact CB-CD1 4.21Å; R309-F311 HydrophobicContact CB-CE1 3.95Å; R309-F311 HydrophobicContact CB-CZ 4.44Å; R309-F311 WeakPolarHBondContact O-CD1 3.07Å
310G98.4Very high98.5Very high69 Ų6947.8 Ų47.871%0.71126%0.264SS*.THydrogen-bonded Turntrans81.28.1-179.400000115.3A306A306-G310 WeakPolarHBondContact O-CA 3.35Å; A306-G310 PolarHBondContact O-N 2.94Å
311F98.4Very high98.4Very high103 Ų10352 Ų5245%0.45229%0.293SS..SBendtrans-154.7158.6178.664.3-87.4000112.5A306 R309A306-F311 WeakPolarHBondContact CA-O 3.47Å; A306-F311 VanDerWaalsContact CB-O 3.32Å; A306-F311 WeakPolarHBondContact CB-O 2.88Å; A306-F311 PolarHBondContact O-N 3.45Å; R309-F311 HydrophobicContact CB-CD1 4.21Å; R309-F311 HydrophobicContact CB-CE1 3.95Å; R309-F311 HydrophobicContact CB-CZ 4.44Å; R309-F311 WeakPolarHBondContact O-CD1 3.07Å
312L98.7Very high98.3Very high107 Ų10753 Ų5356%0.5630%0.297SS*.  trans-98.4150.4170.7-75.2165.8000110.6E303 A306E303-L312 HydrophobicContact CB-CD2 4.44Å; E303-L312 HydrophobicContact CG-CD2 3.95Å; A306-L312 HydrophobicContact CB-CD2 3.58Å; A306-L312 HydrophobicContact CB-CG 4.1Å
313P98.6Very high98.3Very high4 Ų453.5 Ų53.53%0.02630%0.303CS..  trans-71.6157.1175.533.1-37.9000111.9A66 R299 A302 A315 S316A66-P313 WeakPolarHBondContact O-CB 3.24Å; A66-P313 WeakPolarHBondContact O-CG 3.29Å; R299-P313 HydrophobicContact CG-CG 3.98Å; A302-P313 HydrophobicContact CB-CB 4.2Å; A302-P313 HydrophobicContact CB-CG 3.77Å; P313-A315 PolarHBondContact O-N 3.1Å; P313-A315 VanDerWaalsContact O-N 3.12Å; P313-S316 WeakPolarHBondContact CD-OG 3.3Å; P313-S316 WeakPolarHBondContact CG-OG 3.42Å; P313-S316 WeakPolarHBondContact O-CB 3.2Å; P313-S316 PolarHBondContact O-N 3.38Å
314P98.7Very high98.2Very high63 Ų6354.4 Ų54.441%0.40931%0.311SS..G310 helixtrans-55.5-32.3178.2-27.234.9000114.2R65 S316 E317R65-P314 HydrophobicContact CG-CB 3.94Å; R65-P314 PolarHBondContact NH2-O 3.01Å; R65-P314 WeakPolarHBondContact O-CD 3.28Å; P314-S316 PolarHBondContact O-N 3.06Å; P314-E317 WeakPolarHBondContact O-CB 3.49Å; P314-E317 VanDerWaalsContact O-CG 3.23Å; P314-E317 WeakPolarHBondContact O-CG 3.46Å; P314-E317 PolarHBondContact O-N 2.82Å
315A98.6Very high98.2Very high15 Ų1557 Ų5712%0.12434%0.342CS..G310 helixtrans-62.7-21.117700000113.6R65 R299 P313 E317 K318R65-A315 HydrophobicContact CG-CB 4.17Å; R65-A315 VanDerWaalsContact O-CB 3.22Å; R65-A315 WeakPolarHBondContact O-CB 3.35Å; R65-A315 PolarHBondContact O-N 3.16Å; R299-A315 HydrophobicContact CG-CB 4.11Å; P313-A315 PolarHBondContact O-N 3.1Å; P313-A315 VanDerWaalsContact O-N 3.12Å; A315-E317 PolarHBondContact O-N 2.88Å; A315-K318 PolarHBondContact O-N 3Å
316S98.7Very high98.1Very high14 Ų1459.7 Ų59.710%0.09836%0.356CS..G310 helixtrans-70.9-14.6177.3-63.20000113.3E303 P313 P314 K318 H319E303-S316 VanDerWaalsContact CG-OG 3.25Å; E303-S316 WeakPolarHBondContact CG-OG 2.85Å; E303-S316 WeakPolarHBondContact OE1-CB 3.44Å; E303-S316 PolarHBondContact OE1-OG 3.39Å; P313-S316 WeakPolarHBondContact CD-OG 3.3Å; P313-S316 WeakPolarHBondContact CG-OG 3.42Å; P313-S316 WeakPolarHBondContact O-CB 3.2Å; P313-S316 PolarHBondContact O-N 3.38Å; P314-S316 PolarHBondContact O-N 3.06Å; S316-K318 PolarHBondContact O-N 3.35Å; S316-K318 VanDerWaalsContact O-N 3.12Å; S316-H319 CarbonylContact O-C 3.55Å; S316-H319 PolarHBondContact O-N 3.1Å
317E98.5Very high98.1Very high140 Ų14063 Ų6365%0.65437%0.372SS*.G310 helixtrans-57.4-24.8169.1-66.5167174.900113R65 P314 A315R65-E317 IonicContact CZ-OE2 3.89Å; R65-E317 IonicContact NH1-OE2 2.94Å; R65-E317 PolarHBondContact NH1-OE2 3.07Å; R65-E317 IonicContact NH2-OE2 2.79Å; R65-E317 PolarHBondContact NH2-OE2 3.39Å; P314-E317 WeakPolarHBondContact O-CB 3.49Å; P314-E317 VanDerWaalsContact O-CG 3.23Å; P314-E317 WeakPolarHBondContact O-CG 3.46Å; P314-E317 PolarHBondContact O-N 2.82Å; A315-E317 PolarHBondContact O-N 2.88Å
318K98.4Very high98Very high176 Ų17666.5 Ų66.577%0.76538%0.382SS*.G310 helixtrans-109.321.7178.1-59-58.5-177.7-172.80111.9A315 S316A315-K318 PolarHBondContact O-N 3Å; S316-K318 PolarHBondContact O-N 3.35Å; S316-K318 VanDerWaalsContact O-N 3.12Å
319H98.6Very high98Very high42 Ų4266.1 Ų66.119%0.19438%0.38CS..  trans-138.3169.4178.7-165.6-128.4000110.6R269 R299 E303 S316R269-H319 PolarHBondContact NH1-CD2 3.33Å; R269-H319 VanDerWaalsContact NH1-CD2 3.33Å; R269-H319 PolarHBondContact NH1-NE2 3.04Å; R299-H319 VanDerWaalsContact CZ-CG 3.42Å; R299-H319 PolarHBondContact NH2-CD2 2.81Å; E303-H319 IonicContact OE1-CE1 2.95Å; E303-H319 IonicContact OE1-CG 3.97Å; E303-H319 IonicContact OE1-ND1 3.12Å; E303-H319 PolarHBondContact OE1-ND1 2.89Å; E303-H319 IonicContact OE2-CE1 3.44Å; E303-H319 PolarHBondContact OE2-CE1 2.86Å; E303-H319 IonicContact OE2-ND1 2.68Å; E303-H319 PolarHBondContact OE2-ND1 3.45Å; S316-H319 CarbonylContact O-C 3.55Å; S316-H319 PolarHBondContact O-N 3.1Å
320G95.4Very high98Very high16 Ų1670.3 Ų70.317%0.16541%0.409CS..  trans-139.9143174.700000109.4W322 G323 S324G320-W322 PolarHBondContact O-N 3.28Å; G320-G323 PolarHBondContact O-N 2.76Å; G320-S324 WeakPolarHBondContact CA-OG 3.35Å
321S96.2Very high98Very high89 Ų8971.9 Ų71.962%0.62240%0.396SS*.G310 helixtrans-49.9125.9178.2-177.50000110.8G323 S324S321-G323 PolarHBondContact O-N 3.24Å; S321-S324 PolarHBondContact N-OG 3.2Å; S321-S324 VanDerWaalsContact O-CB 3.3Å; S321-S324 WeakPolarHBondContact O-CB 3.41Å; S321-S324 PolarHBondContact O-N 3.26Å; S321-S324 PolarHBondContact O-OG 3.38Å
322W97.8Very high98Very high22 Ų2270.4 Ų70.48%0.08340%0.397CS..G310 helixtrans45.739.2172.4-69.692.9000115.7W270 G320 A338 R339 R340 W343 E344W270-W322 HydrophobicContact CB-CZ3 4.32Å; W270-W322 HydrophobicContact CD2-CE3 4.09Å; W270-W322 HydrophobicContact CD2-CZ3 4.01Å; W270-W322 HydrophobicContact CE3-CD2 4.03Å; W270-W322 AromaticContact CE3-CE3 3.45Å; W270-W322 HydrophobicContact CE3-CE3 3.45Å; W270-W322 VanDerWaalsContact CE3-CE3 3.45Å; W270-W322 HydrophobicContact CE3-CH2 4.18Å; W270-W322 AromaticContact CE3-CZ3 3.56Å; W270-W322 HydrophobicContact CE3-CZ3 3.56Å; W270-W322 HydrophobicContact CG-CZ3 4.34Å; W270-W322 HydrophobicContact CH2-CE3 4.41Å; W270-W322 AromaticContact CZ3-CD2 3.89Å; W270-W322 HydrophobicContact CZ3-CD2 3.89Å; W270-W322 AromaticContact CZ3-CE3 3.66Å; W270-W322 HydrophobicContact CZ3-CE3 3.66Å; W270-W322 HydrophobicContact CZ3-CG 4.28Å; W270-W322 HydrophobicContact CZ3-CZ3 4.24Å; G320-W322 PolarHBondContact O-N 3.28Å; W322-A338 CarbonylContact O-C 3.5Å; W322-R339 PolarHBondContact O-N 3.29Å; W322-R340 HydrophobicContact CB-CB 4.01Å; W322-R340 HydrophobicContact CD2-CB 3.56Å; W322-R340 HydrophobicContact CD2-CG 3.58Å; W322-R340 VanDerWaalsContact CE3-CA 3.48Å; W322-R340 HydrophobicContact CE3-CB 3.9Å; W322-R340 HydrophobicContact CE3-CG 3.79Å; W322-R340 HydrophobicContact CG-CB 3.62Å; W322-R340 HydrophobicContact CG-CG 4.14Å; W322-R340 HydrophobicContact CH2-CG 3.88Å; W322-R340 HydrophobicContact CZ2-CG 3.72Å; W322-R340 HydrophobicContact CZ3-CG 3.92Å; W322-W343 HydrophobicContact CE3-CB 3.99Å; W322-W343 HydrophobicContact CZ3-CB 4.1Å; W322-E344 HydrophobicContact CH2-CB 4.05Å; W322-E344 HydrophobicContact CH2-CG 4.32Å; W322-E344 HydrophobicContact CZ3-CB 3.88Å
323G97.8Very high98Very high11 Ų1172.8 Ų72.811%0.11340%0.399CS..G310 helixtrans85.311176.600000115.2G320 S321 G325 L326 A338G320-G323 PolarHBondContact O-N 2.76Å; S321-G323 PolarHBondContact O-N 3.24Å; G323-G325 PolarHBondContact O-N 3.4Å; G323-L326 WeakPolarHBondContact O-CB 3.48Å; G323-L326 VanDerWaalsContact O-CG 3.29Å; G323-L326 WeakPolarHBondContact O-CG 3.43Å; G323-L326 PolarHBondContact O-N 3.3Å; G323-A338 WeakPolarHBondContact O-CB 3.36Å
324S98.1Very high98Very high41 Ų4173.9 Ų73.929%0.28740%0.404SS..G310 helixtrans-52.5-24176.145.20000114.8G320 S321 L326 D327G320-S324 WeakPolarHBondContact CA-OG 3.35Å; S321-S324 PolarHBondContact N-OG 3.2Å; S321-S324 VanDerWaalsContact O-CB 3.3Å; S321-S324 WeakPolarHBondContact O-CB 3.41Å; S321-S324 PolarHBondContact O-N 3.26Å; S321-S324 PolarHBondContact O-OG 3.38Å; S324-L326 PolarHBondContact O-N 2.75Å; S324-D327 WeakPolarHBondContact CA-OD2 3.35Å; S324-D327 WeakPolarHBondContact O-CB 3.5Å; S324-D327 VanDerWaalsContact O-CG 3.27Å; S324-D327 PolarHBondContact O-N 2.93Å; S324-D327 VanDerWaalsContact O-OD2 3.05Å
325G97.6Very high98Very high68 Ų6875.5 Ų75.570%0.70140%0.402SS*.G310 helixtrans-57.6-15.2169.200000114.4G323G323-G325 PolarHBondContact O-N 3.4Å
326L98.1Very high97.9Very high56 Ų5677.3 Ų77.329%0.29342%0.417SS..G310 helixtrans-89.2-7.5177.6-56177.2000113.6G323 S324 M328 H329 I334 R337 A338 W343G323-L326 WeakPolarHBondContact O-CB 3.48Å; G323-L326 VanDerWaalsContact O-CG 3.29Å; G323-L326 WeakPolarHBondContact O-CG 3.43Å; G323-L326 PolarHBondContact O-N 3.3Å; S324-L326 PolarHBondContact O-N 2.75Å; L326-M328 PolarHBondContact O-N 3.22Å; L326-M328 VanDerWaalsContact O-N 3.13Å; L326-H329 VanDerWaalsContact O-CB 3.23Å; L326-H329 WeakPolarHBondContact O-CB 3.5Å; L326-H329 PolarHBondContact O-N 3.24Å; L326-I334 HydrophobicContact CB-CG2 4.28Å; L326-I334 HydrophobicContact CD1-CG2 4.45Å; L326-I334 HydrophobicContact CD2-CG2 4.23Å; L326-R337 HydrophobicContact CD1-CB 4.3Å; L326-A338 HydrophobicContact CB-CB 4.15Å; L326-W343 HydrophobicContact CD1-CZ2 4.12Å
327D97.8Very high97.9Very high79 Ų7980.7 Ų80.742%0.42243%0.428SS..THydrogen-bonded Turntrans-58.8-28.9-174.1-76.7-34.7000113.6S324 R335 A338S324-D327 WeakPolarHBondContact CA-OD2 3.35Å; S324-D327 WeakPolarHBondContact O-CB 3.5Å; S324-D327 VanDerWaalsContact O-CG 3.27Å; S324-D327 PolarHBondContact O-N 2.93Å; S324-D327 VanDerWaalsContact O-OD2 3.05Å; D327-R335 WeakPolarHBondContact O-CD 3.42Å; D327-R335 WeakPolarHBondContact O-CG 3.4Å; D327-A338 WeakPolarHBondContact OD1-CB 3.2Å
328M96.9Very high97.9Very high177 Ų17774.9 Ų74.987%0.87240%0.404SS*.THydrogen-bonded Turntrans-96.86.8-178.4-60.6-56.8-66.300113.5L326L326-M328 PolarHBondContact O-N 3.22Å; L326-M328 VanDerWaalsContact O-N 3.13Å
329H98.4Very high97.9Very high64 Ų6471.3 Ų71.330%0.29639%0.385SS..  trans-65.8141.6-178.8-169.1-74.3000111.2L326 K331 I334 R335L326-H329 VanDerWaalsContact O-CB 3.23Å; L326-H329 WeakPolarHBondContact O-CB 3.5Å; L326-H329 PolarHBondContact O-N 3.24Å; H329-K331 PolarHBondContact ND1-N 3.01Å; H329-K331 PolarHBondContact O-N 3.32Å; H329-I334 HydrophobicContact CB-CB 4.21Å; H329-I334 HydrophobicContact CB-CG2 3.71Å; H329-I334 VanDerWaalsContact CE1-CD1 3.49Å; H329-I334 WeakPolarHBondContact CE1-CD1 3.42Å; H329-I334 VanDerWaalsContact CG-CG2 3.46Å; H329-R335 HydrophobicContact CB-CG 4.22Å; H329-R335 VanDerWaalsContact O-CD 3.24Å; H329-R335 WeakPolarHBondContact O-CD 3.04Å; H329-R335 WeakPolarHBondContact O-CG 3.16Å; H329-R335 PolarHBondContact O-NH1 3.36Å
330T98.1Very high97.9Very high121 Ų12174.4 Ų74.474%0.74240%0.395SS*.SBendtrans-62.7-38.9-177.156.30000114R335T330-R335 VanDerWaalsContact C-NH1 3.29Å; T330-R335 PolarHBondContact O-NH1 3.43Å
331K98.4Very high98Very high102 Ų10279.5 Ų79.544%0.44342%0.415SS..SBendtrans-74.9121.8178.7-64.3172178.4176.80112.8H329 W333 I334 R335H329-K331 PolarHBondContact ND1-N 3.01Å; H329-K331 PolarHBondContact O-N 3.32Å; K331-W333 HydrophobicContact CB-CD2 4.16Å; K331-W333 HydrophobicContact CB-CH2 4.33Å; K331-W333 HydrophobicContact CB-CZ2 3.87Å; K331-W333 HydrophobicContact CD-CH2 4.46Å; K331-W333 HydrophobicContact CD-CZ2 3.57Å; K331-W333 HydrophobicContact CG-CH2 4.18Å; K331-W333 HydrophobicContact CG-CZ2 3.71Å; K331-W333 PolarHBondContact O-N 3.42Å; K331-I334 HydrophobicContact CB-CB 4.33Å; K331-I334 HydrophobicContact CB-CD1 4.13Å; K331-I334 HydrophobicContact CB-CG1 4.14Å; K331-I334 HydrophobicContact CD-CD1 3.82Å; K331-I334 PolarHBondContact O-N 3.12Å; K331-I334 VanDerWaalsContact O-N 3.1Å; K331-R335 PolarHBondContact O-N 3.21Å
332P98.4Very high98.2Very high72 Ų7278.1 Ų78.147%0.46840%0.396SS..Hα-helixtrans-57.2-41.8-178.6-25.333.1000114.7I334 R335 A336P332-I334 PolarHBondContact O-N 2.61Å; P332-R335 PolarHBondContact O-N 3.29Å; P332-A336 PolarHBondContact O-N 2.76Å
333W98.4Very high98.2Very high157 Ų15779.8 Ų79.860%0.59540%0.403SS*.Hα-helixtrans-70.2-15.1-179.858.185.5000114.1K331 R337K331-W333 HydrophobicContact CB-CD2 4.16Å; K331-W333 HydrophobicContact CB-CH2 4.33Å; K331-W333 HydrophobicContact CB-CZ2 3.87Å; K331-W333 HydrophobicContact CD-CH2 4.46Å; K331-W333 HydrophobicContact CD-CZ2 3.57Å; K331-W333 HydrophobicContact CG-CH2 4.18Å; K331-W333 HydrophobicContact CG-CZ2 3.71Å; K331-W333 PolarHBondContact O-N 3.42Å; W333-R337 WeakPolarHBondContact O-CG 3.46Å; W333-R337 PolarHBondContact O-NE 2.86Å
334I98.4Very high98.2Very high27 Ų2783.9 Ų83.914%0.13842%0.419CS..Hα-helixtrans-83.4-42.5172.2-67.8-178.2000109.9L326 H329 K331 P332 A336 R337L326-I334 HydrophobicContact CB-CG2 4.28Å; L326-I334 HydrophobicContact CD1-CG2 4.45Å; L326-I334 HydrophobicContact CD2-CG2 4.23Å; H329-I334 HydrophobicContact CB-CB 4.21Å; H329-I334 HydrophobicContact CB-CG2 3.71Å; H329-I334 VanDerWaalsContact CE1-CD1 3.49Å; H329-I334 WeakPolarHBondContact CE1-CD1 3.42Å; H329-I334 VanDerWaalsContact CG-CG2 3.46Å; K331-I334 HydrophobicContact CB-CB 4.33Å; K331-I334 HydrophobicContact CB-CD1 4.13Å; K331-I334 HydrophobicContact CB-CG1 4.14Å; K331-I334 HydrophobicContact CD-CD1 3.82Å; K331-I334 PolarHBondContact O-N 3.12Å; K331-I334 VanDerWaalsContact O-N 3.1Å; P332-I334 PolarHBondContact O-N 2.61Å; I334-A336 VanDerWaalsContact C-N 3.27Å; I334-A336 PolarHBondContact O-N 3.09Å; I334-R337 VanDerWaalsContact O-CB 3.28Å; I334-R337 WeakPolarHBondContact O-CB 3.13Å; I334-R337 WeakPolarHBondContact O-CG 3.41Å; I334-R337 PolarHBondContact O-N 2.96Å; I334-R337 VanDerWaalsContact O-N 3.1Å
335R98.5Very high98.2Very high96 Ų9687.3 Ų87.336%0.36243%0.434SS..Hα-helixtrans-59.4-38.8172.8-61.7-167.9-65-88.67112D327 H329 T330 K331 P332 R337 A338D327-R335 WeakPolarHBondContact O-CD 3.42Å; D327-R335 WeakPolarHBondContact O-CG 3.4Å; H329-R335 HydrophobicContact CB-CG 4.22Å; H329-R335 VanDerWaalsContact O-CD 3.24Å; H329-R335 WeakPolarHBondContact O-CD 3.04Å; H329-R335 WeakPolarHBondContact O-CG 3.16Å; H329-R335 PolarHBondContact O-NH1 3.36Å; T330-R335 VanDerWaalsContact C-NH1 3.29Å; T330-R335 PolarHBondContact O-NH1 3.43Å; K331-R335 PolarHBondContact O-N 3.21Å; P332-R335 PolarHBondContact O-N 3.29Å; R335-R337 PolarHBondContact O-N 2.81Å; R335-A338 VanDerWaalsContact O-CB 3.24Å; R335-A338 WeakPolarHBondContact O-CB 3.26Å; R335-A338 PolarHBondContact O-N 3.27Å
336A98.3Very high98.2Very high54 Ų5487 Ų8745%0.44642%0.416SS..THydrogen-bonded Turntrans-59-13.3177.200000114.6P332 I334 R339P332-A336 PolarHBondContact O-N 2.76Å; I334-A336 VanDerWaalsContact C-N 3.27Å; I334-A336 PolarHBondContact O-N 3.09Å; A336-R339 PolarHBondContact O-NE 2.91Å
337R98.6Very high98.2Very high84 Ų8492 Ų9232%0.31744%0.442SS..THydrogen-bonded Turntrans-87.4-13.5176.1-50-179.8-176.1175.4-7.9113.2L326 W333 I334 R335 R339 Y342 W343L326-R337 HydrophobicContact CD1-CB 4.3Å; W333-R337 WeakPolarHBondContact O-CG 3.46Å; W333-R337 PolarHBondContact O-NE 2.86Å; I334-R337 VanDerWaalsContact O-CB 3.28Å; I334-R337 WeakPolarHBondContact O-CB 3.13Å; I334-R337 WeakPolarHBondContact O-CG 3.41Å; I334-R337 PolarHBondContact O-N 2.96Å; I334-R337 VanDerWaalsContact O-N 3.1Å; R335-R337 PolarHBondContact O-N 2.81Å; R337-R339 PolarHBondContact O-N 3.26Å; R337-Y342 HydrophobicContact CB-CD1 3.56Å; R337-Y342 HydrophobicContact CB-CE1 3.6Å; R337-Y342 HydrophobicContact CB-CG 4.07Å; R337-Y342 HydrophobicContact CG-CD1 3.94Å; R337-Y342 HydrophobicContact CG-CD2 4.37Å; R337-Y342 HydrophobicContact CG-CE1 3.52Å; R337-Y342 HydrophobicContact CG-CE2 4Å; R337-Y342 HydrophobicContact CG-CG 4.35Å; R337-W343 HydrophobicContact CB-CZ2 3.99Å; R337-W343 PolarHBondContact O-NE1 2.75Å
338A98.5Very high98.2Very high18 Ų1892.5 Ų92.515%0.14945%0.45CS..  trans-76.650.7-174.100000112.8W322 G323 L326 D327 R335W322-A338 CarbonylContact O-C 3.5Å; G323-A338 WeakPolarHBondContact O-CB 3.36Å; L326-A338 HydrophobicContact CB-CB 4.15Å; D327-A338 WeakPolarHBondContact OD1-CB 3.2Å; R335-A338 VanDerWaalsContact O-CB 3.24Å; R335-A338 WeakPolarHBondContact O-CB 3.26Å; R335-A338 PolarHBondContact O-N 3.27Å
339R98.2Very high98.3Very high101 Ų10188.8 Ų88.838%0.38145%0.447SS..SBendtrans-152.7146.3-175.958.5-176.9179.4103.75.9110.3W322 A336 R337 E341 Y342W322-R339 PolarHBondContact O-N 3.29Å; A336-R339 PolarHBondContact O-NE 2.91Å; R337-R339 PolarHBondContact O-N 3.26Å; R339-E341 VanDerWaalsContact C-N 3.35Å; R339-E341 IonicContact NH1-OE1 3.82Å; R339-E341 PolarHBondContact NH1-OE1 3.36Å; R339-E341 IonicContact NH1-OE2 2.76Å; R339-E341 PolarHBondContact NH1-OE2 3.26Å; R339-E341 PolarHBondContact O-N 2.99Å; R339-Y342 PolarHBondContact O-N 2.88Å; R339-Y342 VanDerWaalsContact O-N 3.16Å
340R98Very high98.2Very high107 Ų10789.7 Ų89.740%0.40446%0.461SS..Hα-helixtrans-52.7-52.2178.3174167.6-179.5150.49.7112.3W322 Y342 W343 E344W322-R340 HydrophobicContact CB-CB 4.01Å; W322-R340 HydrophobicContact CD2-CB 3.56Å; W322-R340 HydrophobicContact CD2-CG 3.58Å; W322-R340 VanDerWaalsContact CE3-CA 3.48Å; W322-R340 HydrophobicContact CE3-CB 3.9Å; W322-R340 HydrophobicContact CE3-CG 3.79Å; W322-R340 HydrophobicContact CG-CB 3.62Å; W322-R340 HydrophobicContact CG-CG 4.14Å; W322-R340 HydrophobicContact CH2-CG 3.88Å; W322-R340 HydrophobicContact CZ2-CG 3.72Å; W322-R340 HydrophobicContact CZ3-CG 3.92Å; R340-Y342 PolarHBondContact O-N 3.24Å; R340-W343 PolarHBondContact O-N 2.8Å; R340-E344 HydrophobicContact CG-CB 4.38Å; R340-E344 VanDerWaalsContact CG-OE2 3.3Å; R340-E344 WeakPolarHBondContact CG-OE2 3.34Å; R340-E344 IonicContact CZ-OE1 3.59Å; R340-E344 IonicContact CZ-OE2 3.54Å; R340-E344 IonicContact NE-OE1 3.52Å; R340-E344 PolarHBondContact NE-OE1 3.3Å; R340-E344 IonicContact NE-OE2 3.52Å; R340-E344 PolarHBondContact NE-OE2 2.97Å; R340-E344 IonicContact NH2-OE1 2.63Å; R340-E344 PolarHBondContact NH2-OE1 2.7Å; R340-E344 IonicContact NH2-OE2 3.73Å; R340-E344 VanDerWaalsContact O-CB 3.29Å; R340-E344 WeakPolarHBondContact O-CB 3.39Å; R340-E344 PolarHBondContact O-N 3.31Å
341E98.4Very high98.3Very high124 Ų12487.2 Ų87.258%0.57946%0.459SS*.Hα-helixtrans-54.3-31.4-178.3-168.6-155.5135.100113.4R339 N345R339-E341 VanDerWaalsContact C-N 3.35Å; R339-E341 IonicContact NH1-OE1 3.82Å; R339-E341 PolarHBondContact NH1-OE1 3.36Å; R339-E341 IonicContact NH1-OE2 2.76Å; R339-E341 PolarHBondContact NH1-OE2 3.26Å; R339-E341 PolarHBondContact O-N 2.99Å; E341-N345 WeakPolarHBondContact O-CB 3.45Å; E341-N345 PolarHBondContact O-ND2 3.19Å
342Y98.6Very high98.2Very high59 Ų5987 Ų8723%0.23146%0.456CS..Hα-helixtrans-70.9-52.5176.3178.2-93.5000111.4R337 R339 R340 L346R337-Y342 HydrophobicContact CB-CD1 3.56Å; R337-Y342 HydrophobicContact CB-CE1 3.6Å; R337-Y342 HydrophobicContact CB-CG 4.07Å; R337-Y342 HydrophobicContact CG-CD1 3.94Å; R337-Y342 HydrophobicContact CG-CD2 4.37Å; R337-Y342 HydrophobicContact CG-CE1 3.52Å; R337-Y342 HydrophobicContact CG-CE2 4Å; R337-Y342 HydrophobicContact CG-CG 4.35Å; R339-Y342 PolarHBondContact O-N 2.88Å; R339-Y342 VanDerWaalsContact O-N 3.16Å; R340-Y342 PolarHBondContact O-N 3.24Å; Y342-L346 HydrophobicContact CE1-CD2 3.93Å; Y342-L346 VanDerWaalsContact O-CB 3.26Å; Y342-L346 WeakPolarHBondContact O-CB 3.27Å; Y342-L346 PolarHBondContact O-N 2.76Å
343W98.5Very high98.2Very high57 Ų5788.8 Ų88.822%0.21647%0.467CS..Hα-helixtrans-76.8-31.4-173.3-70.1113000113.6W270 W322 L326 R337 R340 N345 L346W270-W343 HydrophobicContact CD2-CB 3.86Å; W270-W343 HydrophobicContact CD2-CG 4.32Å; W270-W343 AromaticContact CE2-CD2 3.9Å; W270-W343 AromaticContact CE2-CG 3.59Å; W270-W343 HydrophobicContact CG-CB 3.96Å; W270-W343 HydrophobicContact CZ2-CB 4.19Å; W270-W343 AromaticContact CZ2-CD1 3.83Å; W270-W343 HydrophobicContact CZ2-CD2 4.1Å; W270-W343 AromaticContact CZ2-CG 3.77Å; W270-W343 HydrophobicContact CZ2-CG 3.77Å; W270-W343 AromaticContact NE1-CD2 3.44Å; W270-W343 AromaticContact NE1-CE3 3.41Å; W270-W343 AromaticContact NE1-CG 3.52Å; W322-W343 HydrophobicContact CE3-CB 3.99Å; W322-W343 HydrophobicContact CZ3-CB 4.1Å; L326-W343 HydrophobicContact CD1-CZ2 4.12Å; R337-W343 HydrophobicContact CB-CZ2 3.99Å; R337-W343 PolarHBondContact O-NE1 2.75Å; R340-W343 PolarHBondContact O-N 2.8Å; W343-N345 VanDerWaalsContact C-N 3.26Å; W343-N345 PolarHBondContact O-N 2.8Å; W343-L346 HydrophobicContact CE3-CD2 3.87Å; W343-L346 HydrophobicContact CZ3-CD2 3.64Å
344E97.5Very high98.2Very high97 Ų9791 Ų9145%0.45348%0.481SS..Hα-helixtrans-69-26.4177.2-168.4165.8-14000112.2W322 R340W322-E344 HydrophobicContact CH2-CB 4.05Å; W322-E344 HydrophobicContact CH2-CG 4.32Å; W322-E344 HydrophobicContact CZ3-CB 3.88Å; R340-E344 HydrophobicContact CG-CB 4.38Å; R340-E344 VanDerWaalsContact CG-OE2 3.3Å; R340-E344 WeakPolarHBondContact CG-OE2 3.34Å; R340-E344 IonicContact CZ-OE1 3.59Å; R340-E344 IonicContact CZ-OE2 3.54Å; R340-E344 IonicContact NE-OE1 3.52Å; R340-E344 PolarHBondContact NE-OE1 3.3Å; R340-E344 IonicContact NE-OE2 3.52Å; R340-E344 PolarHBondContact NE-OE2 2.97Å; R340-E344 IonicContact NH2-OE1 2.63Å; R340-E344 PolarHBondContact NH2-OE1 2.7Å; R340-E344 IonicContact NH2-OE2 3.73Å; R340-E344 VanDerWaalsContact O-CB 3.29Å; R340-E344 WeakPolarHBondContact O-CB 3.39Å; R340-E344 PolarHBondContact O-N 3.31Å
345N98.1Very high98.2Very high114 Ų11493.3 Ų93.361%0.6150%0.499SS*.Hα-helixtrans-110.2-8.7-177.9-62.7-72.4000114.1E341 W343 L347E341-N345 WeakPolarHBondContact O-CB 3.45Å; E341-N345 PolarHBondContact O-ND2 3.19Å; W343-N345 VanDerWaalsContact C-N 3.26Å; W343-N345 PolarHBondContact O-N 2.8Å; N345-L347 PolarHBondContact O-N 2.81Å
346L98.6Very high98.2Very high62 Ų6293.4 Ų93.433%0.32551%0.512SS..  trans-69.2121.8174.7176.868.7000108.9Y342 W343 P348Y342-L346 HydrophobicContact CE1-CD2 3.93Å; Y342-L346 VanDerWaalsContact O-CB 3.26Å; Y342-L346 WeakPolarHBondContact O-CB 3.27Å; Y342-L346 PolarHBondContact O-N 2.76Å; W343-L346 HydrophobicContact CE3-CD2 3.87Å; W343-L346 HydrophobicContact CZ3-CD2 3.64Å; L346-P348 WeakPolarHBondContact O-CD 3.35Å
347L97.9Very high98.2Very high160 Ų16096.2 Ų96.284%0.83853%0.529SS*.  trans-87.7102.7166.8-58.6179000108.4N345 A349N345-L347 PolarHBondContact O-N 2.81Å; L347-A349 PolarHBondContact O-N 2.6Å
348P97.6Very high98.1Very high90 Ų9096.4 Ų96.458%0.58454%0.536SS*.  trans-67.7132.7-176.2-16.233000110L346L346-P348 WeakPolarHBondContact O-CD 3.35Å
349A98.3Very high98.1Very high98 Ų9897 Ų9781%0.8154%0.538SS*.  trans-70.5145.6176.100000111L347 G351L347-A349 PolarHBondContact O-N 2.6Å; A349-G351 VanDerWaalsContact C-N 3.26Å; A349-G351 PolarHBondContact O-N 3.37Å
350S98Very high98Very high84 Ų84100.8 Ų100.859%0.58756%0.558SS**  trans-67.9-24.5176.669.40000113.5R352S350-R352 PolarHBondContact O-N 2.88Å; S350-R352 PolarHBondContact OG-N 3.42Å
351G98.4Very high97.9Very high69 Ų6997 Ų9771%0.71155%0.547SS*.SBendtrans67.811-172.600000114.3A349 P353A349-G351 VanDerWaalsContact C-N 3.26Å; A349-G351 PolarHBondContact O-N 3.37Å; G351-P353 WeakPolarHBondContact O-CD 3.34Å
352R98.1Very high97.6Very high96 Ų9697.1 Ų97.136%0.36255%0.552SS.*  trans-122.679.3-176.6-64.6-179.7-177.4167.3-1.6110.4S264 S350 F354 C355S264-R352 PolarHBondContact OG-NH1 3.15Å; S350-R352 PolarHBondContact O-N 2.88Å; S350-R352 PolarHBondContact OG-N 3.42Å; R352-F354 PolarHBondContact O-N 3.17Å; R352-F354 VanDerWaalsContact O-N 3.17Å; R352-C355 HydrophobicContact CB-CB 3.8Å; R352-C355 PolarHBondContact O-N 3.17Å; R352-C355 VanDerWaalsContact O-N 3.17Å
353P98.1Very high96.6Very high110 Ų110102 Ų10271%0.71459%0.587SS**THydrogen-bonded Turntrans-68.4-16.5-169.127.8-36000114.5G351G351-P353 WeakPolarHBondContact O-CD 3.34Å
354F98.2Very high96.5Very high203 Ų203104.2 Ų104.289%0.8961%0.606SS**THydrogen-bonded Turntrans-104.40.3178.8-53.7-64.4000113.3R352R352-F354 PolarHBondContact O-N 3.17Å; R352-F354 VanDerWaalsContact O-N 3.17Å
355C98.1Very high96.4Very high76 Ų76104.6 Ų104.651%0.51461%0.614SS.*SBendtrans-98144.2177.4-63.30000109.9R352R352-C355 HydrophobicContact CB-CB 3.8Å; R352-C355 PolarHBondContact O-N 3.17Å; R352-C355 VanDerWaalsContact O-N 3.17Å
356P98Very high96.3Very high98 Ų98104.1 Ų104.164%0.63661%0.614SS**  trans-68.1162.4171.233.5-36.7000110.5L358P356-L358 WeakPolarHBondContact CB-O 3.28Å; P356-L358 WeakPolarHBondContact CG-O 3.24Å
357S97.8Very high96.2Very high113 Ų113106.5 Ų106.579%0.7963%0.631SS**SBendtrans-79.6-21.2172.960.20000113.1
358L98.1Very high96.1Very high88 Ų88103.2 Ų103.246%0.46162%0.618SS.*  trans-136.8155.9-176.3-56.9179.6000110P245 D246 P356P245-L358 HydrophobicContact CG-CD2 3.54Å; D246-L358 HydrophobicContact CB-CB 4.08Å; D246-L358 HydrophobicContact CB-CD2 3.99Å; D246-L358 HydrophobicContact CB-CG 4.45Å; D246-L358 WeakPolarHBondContact OD2-CA 3.36Å; P356-L358 WeakPolarHBondContact CB-O 3.28Å; P356-L358 WeakPolarHBondContact CG-O 3.24Å
359S97.6Very high96Very high30 Ų30104.1 Ų104.121%0.2162%0.62CS.*  trans-123.1154.5174.6-68.80000109.9D246 E257D246-S359 WeakPolarHBondContact CB-O 3.26Å; D246-S359 PolarHBondContact OD2-N 3.23Å; E257-S359 WeakPolarHBondContact OE1-CB 3.4Å; E257-S359 PolarHBondContact OE1-OG 3.13Å
360K97Very high95.8Very high181 Ų181104.5 Ų104.579%0.78761%0.607SS**  trans-85.5131.9170.8-170.8-170.3171.4-167.60107.9P256P256-K360 WeakPolarHBondContact CD-O 3.43Å; P256-K360 VanDerWaalsContact CG-O 3.28Å; P256-K360 WeakPolarHBondContact CG-O 3.47Å
361P96.1Very high95.7Very high28 Ų28106.1 Ų106.118%0.18261%0.608CS.*  trans-54.2147.3169.1-25.534.6000111.9D246 D254 L255 V363D246-P361 WeakPolarHBondContact O-CD 3.42Å; D246-P361 VanDerWaalsContact O-CG 3.27Å; D246-P361 WeakPolarHBondContact O-CG 3.29Å; D254-P361 HydrophobicContact CB-CB 4.18Å; D254-P361 CarbonylContact O-C 3.54Å; D254-P361 VanDerWaalsContact O-CA 3.24Å; D254-P361 WeakPolarHBondContact O-CA 3.36Å; L255-P361 HydrophobicContact CD2-CG 4.32Å; P361-V363 PolarHBondContact O-N 3.2Å
362D91Very high95.5Very high126 Ų126109.2 Ų109.267%0.67460%0.6SS**  trans-67.7-23.9-177.2-78.5-31.7000113.1D254D254-D362 PolarHBondContact O-N 3.21Å
363V77.4Confident95.2Very high161 Ų161110.4 Ų110.498%0.97662%0.621SS**  trans-1180-172.7-135.20000112.5D254 P361D254-V363 HydrophobicContact CB-CG2 4.15Å; D254-V363 VanDerWaalsContact CG-CG2 3.46Å; D254-V363 WeakPolarHBondContact OD2-CG2 3.3Å; P361-V363 PolarHBondContact O-N 3.2Å

Retrieved 363 of 363 residues in 177.9 ms (Link to these results)

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