A0A087YEB9_POEFO Loading...

Gap junction protein delta 3

AlphaFold DB , UniProt , Accession A0A087YEB9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 250 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
1E42.2Very low51.4Low238 Ų238121.6 Ų121.6100%1.11263%0.632SS**  059.20-61.5177.4128.700111.2
2W47.5Very low51Low194 Ų194116.6 Ų116.674%0.73561%0.606SS**  trans-128.2-6.1177.3-67.699.7000113F4 L5 E6W2-F4 VanDerWaalsContact C-N 3.26Å; W2-F4 PolarHBondContact O-N 3.07Å; W2-F4 VanDerWaalsContact O-N 3.17Å; W2-L5 HydrophobicContact CE3-CD1 3.77Å; W2-L5 HydrophobicContact CZ3-CD1 3.85Å; W2-L5 PolarHBondContact O-N 2.88Å; W2-E6 PolarHBondContact O-N 2.03Å; W2-E6 VanDerWaalsContact O-N 3.1Å
3G46.5Very low50.3Low48 Ų48119.8 Ų119.850%0.49562%0.616SS.*Hα-helixtrans-67.1-18.5-173.100000115.6S7G3-S7 VanDerWaalsContact O-CB 3.31Å; G3-S7 WeakPolarHBondContact O-CB 3.44Å; G3-S7 PolarHBondContact O-N 2.64Å; G3-S7 PolarHBondContact O-OG 3.38Å
4F57.8Low50Low162 Ų162117.9 Ų117.971%0.71163%0.627SS**Hα-helixtrans-73.9-39.1171.8178.4-102.5000111.9W2 S7 V8W2-F4 VanDerWaalsContact C-N 3.26Å; W2-F4 PolarHBondContact O-N 3.07Å; W2-F4 VanDerWaalsContact O-N 3.17Å; F4-S7 PolarHBondContact O-OG 3.22Å; F4-V8 HydrophobicContact CE1-CG2 4.34Å; F4-V8 HydrophobicContact CE2-CG2 4.23Å; F4-V8 HydrophobicContact CZ-CG2 4.11Å; F4-V8 WeakPolarHBondContact O-CB 3.28Å; F4-V8 WeakPolarHBondContact O-CG2 3.46Å; F4-V8 PolarHBondContact O-N 2.03Å
5L50.8Low49.4Very low105 Ų105122 Ų12255%0.5564%0.641SS.*Hα-helixtrans-71.3-39.4176.4-74.3167.5000110.5W2 V8 F9W2-L5 HydrophobicContact CE3-CD1 3.77Å; W2-L5 HydrophobicContact CZ3-CD1 3.85Å; W2-L5 PolarHBondContact O-N 2.88Å; L5-V8 PolarHBondContact O-N 3.06Å; L5-F9 VanDerWaalsContact O-CB 3.3Å; L5-F9 WeakPolarHBondContact O-CB 3.32Å; L5-F9 PolarHBondContact O-N 2.91Å
6E52.7Low49.3Very low121 Ų121120.3 Ų120.357%0.56564%0.642SS**Hα-helixtrans-68.2-41.4179-161.6163.5-163.700112.7W2 V8 F9 E10W2-E6 PolarHBondContact O-N 2.03Å; W2-E6 VanDerWaalsContact O-N 3.1Å; E6-V8 PolarHBondContact O-N 2.89Å; E6-F9 CarbonylContact O-C 3.59Å; E6-F9 WeakPolarHBondContact O-CB 3.41Å; E6-F9 PolarHBondContact O-N 2.81Å; E6-F9 VanDerWaalsContact O-N 3.15Å; E6-E10 PolarHBondContact O-N 2.99Å
7S53.6Low49.4Very low70 Ų70116.9 Ų116.949%0.4963%0.629SS.*Hα-helixtrans-71.1-29175.3570000114G3 F4 G11G3-S7 VanDerWaalsContact O-CB 3.31Å; G3-S7 WeakPolarHBondContact O-CB 3.44Å; G3-S7 PolarHBondContact O-N 2.64Å; G3-S7 PolarHBondContact O-OG 3.38Å; F4-S7 PolarHBondContact O-OG 3.22Å; S7-G11 PolarHBondContact O-N 2.75Å
8V57.5Low49.7Very low74 Ų74114.4 Ų114.445%0.44861%0.614SS.*Hα-helixtrans-71.2-35.2169.5171.10000110.3F4 L5 E6 L12F4-V8 HydrophobicContact CE1-CG2 4.34Å; F4-V8 HydrophobicContact CE2-CG2 4.23Å; F4-V8 HydrophobicContact CZ-CG2 4.11Å; F4-V8 WeakPolarHBondContact O-CB 3.28Å; F4-V8 WeakPolarHBondContact O-CG2 3.46Å; F4-V8 PolarHBondContact O-N 2.03Å; L5-V8 PolarHBondContact O-N 3.06Å; E6-V8 PolarHBondContact O-N 2.89Å; V8-L12 HydrophobicContact CG1-CD1 4.33Å; V8-L12 VanDerWaalsContact O-CD1 3.24Å; V8-L12 WeakPolarHBondContact O-CD1 3.12Å; V8-L12 WeakPolarHBondContact O-CG 3.17Å
9F52.4Low50.2Low118 Ų118115.6 Ų115.652%0.51862%0.619SS.*Hα-helixtrans-72.6-42.2178.3-147.3-94.8000113.1L5 E6 G11 L12 F22L5-F9 VanDerWaalsContact O-CB 3.3Å; L5-F9 WeakPolarHBondContact O-CB 3.32Å; L5-F9 PolarHBondContact O-N 2.91Å; E6-F9 CarbonylContact O-C 3.59Å; E6-F9 WeakPolarHBondContact O-CB 3.41Å; E6-F9 PolarHBondContact O-N 2.81Å; E6-F9 VanDerWaalsContact O-N 3.15Å; F9-G11 VanDerWaalsContact C-N 3.32Å; F9-G11 PolarHBondContact O-N 2.9Å; F9-L12 WeakPolarHBondContact O-CB 3.45Å; F9-L12 PolarHBondContact O-N 3.42Å; F9-L12 VanDerWaalsContact O-N 3.14Å; F9-F22 HydrophobicContact CE2-CD2 4.43Å; F9-F22 AromaticContact CE2-CE2 3.54Å; F9-F22 HydrophobicContact CE2-CE2 3.54Å; F9-F22 HydrophobicContact CE2-CZ 4.21Å; F9-F22 AromaticContact CZ-CE2 3.64Å; F9-F22 HydrophobicContact CZ-CE2 3.64Å; F9-F22 AromaticContact CZ-CZ 3.85Å; F9-F22 HydrophobicContact CZ-CZ 3.85Å
10E53.2Low51.2Low144 Ų144111.3 Ų111.367%0.67360%0.603SS**Hα-helixtrans-68.6-31.4176.7-75-169.2148.800112.3E6 L12E6-E10 PolarHBondContact O-N 2.99Å; E10-L12 PolarHBondContact O-N 3.34Å
11G51.3Low52.2Low64 Ų64111.1 Ų111.166%0.6659%0.593SS**THydrogen-bonded Turntrans-69.8-14172.300000114.6S7 F9S7-G11 PolarHBondContact O-N 2.75Å; F9-G11 VanDerWaalsContact C-N 3.32Å; F9-G11 PolarHBondContact O-N 2.9Å
12L46Very low54.2Low61 Ų61103.3 Ų103.332%0.31956%0.556SS.*THydrogen-bonded Turntrans-86.3-10.4-178.5-81.9157.5000113.5V8 F9 E10 M18V8-L12 HydrophobicContact CG1-CD1 4.33Å; V8-L12 VanDerWaalsContact O-CD1 3.24Å; V8-L12 WeakPolarHBondContact O-CD1 3.12Å; V8-L12 WeakPolarHBondContact O-CG 3.17Å; F9-L12 WeakPolarHBondContact O-CB 3.45Å; F9-L12 PolarHBondContact O-N 3.42Å; F9-L12 VanDerWaalsContact O-N 3.14Å; E10-L12 PolarHBondContact O-N 3.34Å; L12-M18 HydrophobicContact CD2-CB 3.79Å; L12-M18 HydrophobicContact CD2-CG 3.82Å; L12-M18 HydrophobicContact CD2-SD 3.68Å
13Q42.7Very low55.9Low158 Ų15898.8 Ų98.874%0.73854%0.539SS*.SBendtrans-98.6-12-167.1-148163.8-15.700115H15Q13-H15 PolarHBondContact O-N 2.72Å
14A45.3Very low57.7Low93 Ų9397.3 Ų97.377%0.76952%0.52SS*.SBendtrans-93.289.7-178.800000112.2
15H41Very low59.1Low180 Ų18095.7 Ų95.783%0.83351%0.512SS*.SBendtrans73.186.4161-107.229.1000118.7Q13 P17Q13-H15 PolarHBondContact O-N 2.72Å; H15-P17 WeakPolarHBondContact O-CD 3.12Å
16S48.6Very low60.9Low95 Ų9594.1 Ų94.166%0.66450%0.504SS*.SBendtrans34.282.7144.8-66.70000117.4
17P50.8Low62.7Low63 Ų6389.4 Ų89.441%0.40948%0.483SS..SBend-140.312.7100.517.74.9000112.9H15 Y200H15-P17 WeakPolarHBondContact O-CD 3.12Å; P17-Y200 HydrophobicContact CB-CE1 4.15Å
18M54.9Low64.4Low72 Ų7287.7 Ų87.736%0.35547%0.468SS..Hα-helixtrans-81.5-15.1-177-70-61.5167.400113.9L12 G20 R21 F22L12-M18 HydrophobicContact CD2-CB 3.79Å; L12-M18 HydrophobicContact CD2-CG 3.82Å; L12-M18 HydrophobicContact CD2-SD 3.68Å; M18-G20 VanDerWaalsContact C-N 3.35Å; M18-G20 PolarHBondContact O-N 3Å; M18-R21 PolarHBondContact O-N 3.03Å; M18-F22 VanDerWaalsContact O-CB 3.3Å; M18-F22 WeakPolarHBondContact O-CB 3.02Å; M18-F22 PolarHBondContact O-N 3.23Å
19L59.2Low66.1Low136 Ų13686.9 Ų86.971%0.71246%0.463SS*.Hα-helixtrans-61.9-40.5-177.6-137.290.3000112.3W23L19-W23 WeakPolarHBondContact O-CB 3.43Å; L19-W23 PolarHBondContact O-N 2.94Å
20G68.9Low68Low29 Ų2984.8 Ų84.830%0.29945%0.454SS..Hα-helixtrans-66.6-48.4-179.400000112.6M18 F22 W23 L24M18-G20 VanDerWaalsContact C-N 3.35Å; M18-G20 PolarHBondContact O-N 3Å; G20-F22 PolarHBondContact O-N 3.06Å; G20-W23 WeakPolarHBondContact O-CB 3.44Å; G20-W23 PolarHBondContact O-N 3.32Å; G20-L24 VanDerWaalsContact O-CD1 3.27Å; G20-L24 WeakPolarHBondContact O-CD1 3.22Å; G20-L24 VanDerWaalsContact O-CG 3.27Å; G20-L24 WeakPolarHBondContact O-CG 3.43Å; G20-L24 PolarHBondContact O-N 3.23Å
21R74.1Confident70Confident108 Ų10878.1 Ų78.141%0.40842%0.422SS..Hα-helixtrans-63.8-42.4178.6-66.9179.3-177.3178.90.9112.1M18 L24 F25 Y125 E197M18-R21 PolarHBondContact O-N 3.03Å; R21-L24 PolarHBondContact O-N 3.3Å; R21-F25 PolarHBondContact O-N 3.38Å; R21-Y125 PolarHBondContact NE-OH 2.87Å; R21-Y125 VanDerWaalsContact NH2-CZ 3.29Å; R21-Y125 PolarHBondContact NH2-OH 3.13Å; R21-E197 VanDerWaalsContact CG-OE1 3.25Å; R21-E197 WeakPolarHBondContact CG-OE1 3.42Å; R21-E197 IonicContact NE-OE1 3.1Å
22F82.3Confident72Confident74 Ų7479.2 Ų79.233%0.32541%0.412SS..Hα-helixtrans-62.5-46.2174.9176.8-103.9000111.3F9 M18 G20 L24 F25 L26F9-F22 HydrophobicContact CE2-CD2 4.43Å; F9-F22 AromaticContact CE2-CE2 3.54Å; F9-F22 HydrophobicContact CE2-CE2 3.54Å; F9-F22 HydrophobicContact CE2-CZ 4.21Å; F9-F22 AromaticContact CZ-CE2 3.64Å; F9-F22 HydrophobicContact CZ-CE2 3.64Å; F9-F22 AromaticContact CZ-CZ 3.85Å; F9-F22 HydrophobicContact CZ-CZ 3.85Å; M18-F22 VanDerWaalsContact O-CB 3.3Å; M18-F22 WeakPolarHBondContact O-CB 3.02Å; M18-F22 PolarHBondContact O-N 3.23Å; G20-F22 PolarHBondContact O-N 3.06Å; F22-L24 VanDerWaalsContact C-N 3.32Å; F22-L24 PolarHBondContact O-N 3.5Å; F22-F25 PolarHBondContact O-N 2.88Å; F22-L26 WeakPolarHBondContact O-CB 2.96Å; F22-L26 PolarHBondContact O-N 3.21Å
23W84.7Confident74.3Confident100 Ų10080 Ų8038%0.37942%0.419SS..Hα-helixtrans-58.6-42.4177.2-178-100.9000112.6L19 G20 L26 M27 L189L19-W23 WeakPolarHBondContact O-CB 3.43Å; L19-W23 PolarHBondContact O-N 2.94Å; G20-W23 WeakPolarHBondContact O-CB 3.44Å; G20-W23 PolarHBondContact O-N 3.32Å; W23-L26 HydrophobicContact CE3-CD2 4.21Å; W23-L26 HydrophobicContact CZ3-CD2 4.3Å; W23-L26 WeakPolarHBondContact O-CB 3.46Å; W23-L26 PolarHBondContact O-N 3.24Å; W23-M27 HydrophobicContact CD2-CE 4.23Å; W23-M27 HydrophobicContact CE3-CE 4.44Å; W23-M27 HydrophobicContact CH2-CE 3.67Å; W23-M27 HydrophobicContact CZ2-CE 3.39Å; W23-M27 HydrophobicContact CZ2-SD 4.23Å; W23-M27 HydrophobicContact CZ3-CE 4.19Å; W23-M27 VanDerWaalsContact O-CG 3.28Å; W23-M27 WeakPolarHBondContact O-CG 3.34Å; W23-M27 PolarHBondContact O-N 3.31Å; W23-L189 HydrophobicContact CZ2-CD2 4.29Å
24L83.3Confident76.8Confident17 Ų1773.8 Ų73.89%0.08939%0.391CS..Hα-helixtrans-70.1-37.3179.7-70.8156.9000112.6G20 R21 F22 M27 L28 S194 E197G20-L24 VanDerWaalsContact O-CD1 3.27Å; G20-L24 WeakPolarHBondContact O-CD1 3.22Å; G20-L24 VanDerWaalsContact O-CG 3.27Å; G20-L24 WeakPolarHBondContact O-CG 3.43Å; G20-L24 PolarHBondContact O-N 3.23Å; R21-L24 PolarHBondContact O-N 3.3Å; F22-L24 VanDerWaalsContact C-N 3.32Å; F22-L24 PolarHBondContact O-N 3.5Å; L24-M27 PolarHBondContact O-N 3.4Å; L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 PolarHBondContact O-N 3.38Å; L24-S194 WeakPolarHBondContact CD2-OG 3.46Å; L24-E197 WeakPolarHBondContact CD1-OE2 3.17Å
25F87.4Confident79.2Confident127 Ų12769.9 Ų69.956%0.55736%0.357SS*.Hα-helixtrans-62.2-45.1170.1176.2-100.9000111.2R21 F22 M27 L28 V29R21-F25 PolarHBondContact O-N 3.38Å; F22-F25 PolarHBondContact O-N 2.88Å; F25-M27 PolarHBondContact O-N 2.76Å; F25-L28 WeakPolarHBondContact O-CB 3.11Å; F25-L28 PolarHBondContact O-N 3.49Å; F25-V29 HydrophobicContact CD1-CG2 4.28Å; F25-V29 HydrophobicContact CD2-CG2 4.49Å; F25-V29 HydrophobicContact CE1-CG2 3.79Å; F25-V29 HydrophobicContact CE2-CG2 4.02Å; F25-V29 HydrophobicContact CZ-CG2 3.65Å; F25-V29 WeakPolarHBondContact O-CG2 3.48Å; F25-V29 PolarHBondContact O-N 3.07Å
26L88.9Confident81.6Confident73 Ų7363.6 Ų63.638%0.38234%0.341SS..Hα-helixtrans-59.3-46.1176.4-178.867.8000111.7F22 W23 L28 V29 F30F22-L26 WeakPolarHBondContact O-CB 2.96Å; F22-L26 PolarHBondContact O-N 3.21Å; W23-L26 HydrophobicContact CE3-CD2 4.21Å; W23-L26 HydrophobicContact CZ3-CD2 4.3Å; W23-L26 WeakPolarHBondContact O-CB 3.46Å; W23-L26 PolarHBondContact O-N 3.24Å; L26-L28 VanDerWaalsContact C-N 3.3Å; L26-L28 PolarHBondContact O-N 2.99Å; L26-V29 PolarHBondContact O-N 2.88Å; L26-F30 VanDerWaalsContact O-CB 3.27Å; L26-F30 WeakPolarHBondContact O-CB 3.32Å; L26-F30 PolarHBondContact O-N 2.05Å
27M89.6Confident83.8Confident22 Ų2262.7 Ų62.711%0.10833%0.332CS..Hα-helixtrans-62-36.9176-70.5-66.6118.500112.2W23 L24 F25 R31 L189W23-M27 HydrophobicContact CD2-CE 4.23Å; W23-M27 HydrophobicContact CE3-CE 4.44Å; W23-M27 HydrophobicContact CH2-CE 3.67Å; W23-M27 HydrophobicContact CZ2-CE 3.39Å; W23-M27 HydrophobicContact CZ2-SD 4.23Å; W23-M27 HydrophobicContact CZ3-CE 4.19Å; W23-M27 VanDerWaalsContact O-CG 3.28Å; W23-M27 WeakPolarHBondContact O-CG 3.34Å; W23-M27 PolarHBondContact O-N 3.31Å; L24-M27 PolarHBondContact O-N 3.4Å; F25-M27 PolarHBondContact O-N 2.76Å; M27-R31 WeakPolarHBondContact O-CG 3.22Å; M27-R31 PolarHBondContact O-N 2.74Å; M27-L189 HydrophobicContact SD-CD2 4.49Å
28L90.9Very high85.8Confident33 Ų3362.7 Ų62.717%0.17333%0.33CS..Hα-helixtrans-66.3-47.8175.7-17965.7000111.8L24 F25 L26 F30 R31 I32 I80 I83 A84L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 PolarHBondContact O-N 3.38Å; F25-L28 WeakPolarHBondContact O-CB 3.11Å; F25-L28 PolarHBondContact O-N 3.49Å; L26-L28 VanDerWaalsContact C-N 3.3Å; L26-L28 PolarHBondContact O-N 2.99Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 3.25Å; L28-R31 WeakPolarHBondContact O-CB 3.47Å; L28-R31 PolarHBondContact O-N 3.45Å; L28-I32 HydrophobicContact CG-CD1 4.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.11Å; L28-I32 PolarHBondContact O-N 3.16Å; L28-I80 HydrophobicContact CD1-CG2 4.18Å; L28-I83 HydrophobicContact CD1-CD1 3.56Å; L28-I83 HydrophobicContact CD1-CG1 3.83Å; L28-A84 HydrophobicContact CD2-CB 4.24Å
29V92.1Very high87.6Confident58 Ų5859.2 Ų59.235%0.35231%0.313SS..Hα-helixtrans-60.8-44.9176.7172.70000110.1F25 L26 R31 I32 V33F25-V29 HydrophobicContact CD1-CG2 4.28Å; F25-V29 HydrophobicContact CD2-CG2 4.49Å; F25-V29 HydrophobicContact CE1-CG2 3.79Å; F25-V29 HydrophobicContact CE2-CG2 4.02Å; F25-V29 HydrophobicContact CZ-CG2 3.65Å; F25-V29 WeakPolarHBondContact O-CG2 3.48Å; F25-V29 PolarHBondContact O-N 3.07Å; L26-V29 PolarHBondContact O-N 2.88Å; V29-R31 VanDerWaalsContact C-N 3.31Å; V29-R31 PolarHBondContact O-N 2.71Å; V29-I32 PolarHBondContact O-N 3.22Å; V29-I32 VanDerWaalsContact O-N 3.12Å; V29-V33 HydrophobicContact CG1-CG2 4.34Å; V29-V33 WeakPolarHBondContact O-CG2 3.43Å; V29-V33 PolarHBondContact O-N 3.29Å
30F93.5Very high89.1Confident74 Ų7454.1 Ų54.133%0.32529%0.289SS..Hα-helixtrans-55.9-44.9175.9-180-106.3000112.1L26 L28 I32 V33 I34 F182 V186L26-F30 VanDerWaalsContact O-CB 3.27Å; L26-F30 WeakPolarHBondContact O-CB 3.32Å; L26-F30 PolarHBondContact O-N 2.05Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 3.25Å; F30-I32 PolarHBondContact O-N 3.06Å; F30-V33 PolarHBondContact O-N 3.29Å; F30-I34 HydrophobicContact CD1-CG1 4.38Å; F30-I34 HydrophobicContact CD2-CG1 4.21Å; F30-I34 HydrophobicContact CE1-CG1 3.87Å; F30-I34 HydrophobicContact CE2-CD1 3.95Å; F30-I34 HydrophobicContact CE2-CG1 3.67Å; F30-I34 HydrophobicContact CZ-CD1 3.81Å; F30-I34 HydrophobicContact CZ-CG1 3.47Å; F30-I34 VanDerWaalsContact CZ-CG1 3.47Å; F30-I34 WeakPolarHBondContact O-CB 3.44Å; F30-I34 WeakPolarHBondContact O-CG1 3.04Å; F30-I34 PolarHBondContact O-N 2.81Å; F30-F182 AromaticContact CE1-CE1 3.8Å; F30-F182 HydrophobicContact CE1-CE1 3.8Å; F30-F182 AromaticContact CE1-CZ 3.62Å; F30-F182 HydrophobicContact CE1-CZ 3.62Å; F30-F182 AromaticContact CZ-CE1 3.9Å; F30-F182 HydrophobicContact CZ-CE1 3.9Å; F30-F182 AromaticContact CZ-CZ 3.55Å; F30-F182 HydrophobicContact CZ-CZ 3.55Å; F30-V186 HydrophobicContact CD1-CG1 4.41Å; F30-V186 HydrophobicContact CE1-CG2 4.07Å
31R94.1Very high90.1Very high4 Ų457.5 Ų57.52%0.01530%0.3CS..Hα-helixtrans-60.1-43.6174.4-77.8177175.8165.17.3113.1M27 L28 V29 L35 I80 E136 Y183 V186 G187 S190M27-R31 WeakPolarHBondContact O-CG 3.22Å; M27-R31 PolarHBondContact O-N 2.74Å; L28-R31 WeakPolarHBondContact O-CB 3.47Å; L28-R31 PolarHBondContact O-N 3.45Å; V29-R31 VanDerWaalsContact C-N 3.31Å; V29-R31 PolarHBondContact O-N 2.71Å; R31-L35 WeakPolarHBondContact O-CB 3.36Å; R31-L35 PolarHBondContact O-N 2.96Å; R31-I80 HydrophobicContact CB-CD1 4.06Å; R31-I80 HydrophobicContact CB-CG1 4.47Å; R31-E136 IonicContact CZ-OE1 3.7Å; R31-E136 IonicContact NH1-OE1 3.96Å; R31-E136 PolarHBondContact NH1-OE1 3.01Å; R31-E136 IonicContact NH2-OE1 3.62Å; R31-Y183 HydrophobicContact CB-CE2 4.32Å; R31-Y183 HydrophobicContact CG-CE2 4.05Å; R31-V186 HydrophobicContact CG-CG1 4.21Å; R31-V186 PolarHBondContact NH2-O 3.5Å; R31-V186 VanDerWaalsContact NH2-O 3.17Å; R31-G187 VanDerWaalsContact NH2-CA 3.28Å; R31-S190 PolarHBondContact NH2-OG 2.87Å
32I94.1Very high90.9Very high86 Ų8653.1 Ų53.144%0.44129%0.285SS..Hα-helixtrans-62.7-45.7179-67.7165.7000110L28 V29 F30 L35 G36 I80L28-I32 HydrophobicContact CG-CD1 4.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.11Å; L28-I32 PolarHBondContact O-N 3.16Å; V29-I32 PolarHBondContact O-N 3.22Å; V29-I32 VanDerWaalsContact O-N 3.12Å; F30-I32 PolarHBondContact O-N 3.06Å; I32-L35 PolarHBondContact O-N 3.34Å; I32-G36 PolarHBondContact O-N 3.34Å; I32-I80 HydrophobicContact CD1-CG2 4.32Å; I32-I80 HydrophobicContact CG1-CD1 4.1Å; I32-I80 HydrophobicContact CG1-CG2 3.89Å
33V94.9Very high91.3Very high78 Ų7850.6 Ų50.647%0.47327%0.273SS..Hα-helixtrans-61.5-52.9179.1172.40000110.6V29 F30 L35 G36 T37V29-V33 HydrophobicContact CG1-CG2 4.34Å; V29-V33 WeakPolarHBondContact O-CG2 3.43Å; V29-V33 PolarHBondContact O-N 3.29Å; F30-V33 PolarHBondContact O-N 3.29Å; V33-L35 VanDerWaalsContact C-N 3.3Å; V33-L35 PolarHBondContact O-N 2.86Å; V33-G36 PolarHBondContact O-N 3.14Å; V33-G36 VanDerWaalsContact O-N 3.11Å; V33-T37 HydrophobicContact CG1-CG2 4.42Å; V33-T37 WeakPolarHBondContact O-CG2 3.49Å; V33-T37 PolarHBondContact O-N 3.13Å; V33-T37 PolarHBondContact O-OG1 3.14Å
34I94.7Very high91.5Very high28 Ų2852.6 Ų52.614%0.14429%0.287CS..Hα-helixtrans-60.4-39.6-179.5-69.6-68.8000111.9F30 V38 A39 F179 F182F30-I34 HydrophobicContact CD1-CG1 4.38Å; F30-I34 HydrophobicContact CD2-CG1 4.21Å; F30-I34 HydrophobicContact CE1-CG1 3.87Å; F30-I34 HydrophobicContact CE2-CD1 3.95Å; F30-I34 HydrophobicContact CE2-CG1 3.67Å; F30-I34 HydrophobicContact CZ-CD1 3.81Å; F30-I34 HydrophobicContact CZ-CG1 3.47Å; F30-I34 VanDerWaalsContact CZ-CG1 3.47Å; F30-I34 WeakPolarHBondContact O-CB 3.44Å; F30-I34 WeakPolarHBondContact O-CG1 3.04Å; F30-I34 PolarHBondContact O-N 2.81Å; I34-V38 HydrophobicContact CD1-CG2 4.47Å; I34-V38 WeakPolarHBondContact O-CB 3.18Å; I34-V38 PolarHBondContact O-N 3.44Å; I34-A39 PolarHBondContact O-N 3.25Å; I34-F179 HydrophobicContact CG2-CE2 3.48Å; I34-F179 VanDerWaalsContact CG2-CE2 3.48Å; I34-F179 HydrophobicContact CG2-CZ 3.8Å; I34-F182 HydrophobicContact CG1-CE1 4.46Å; I34-F182 HydrophobicContact CG2-CE1 4.4Å
35L94.5Very high91.8Very high10 Ų1054.6 Ų54.65%0.05230%0.298CS..Iπ-helixtrans-68.5-36.8176.9-169.974.6000111.9R31 I32 V33 A39 S40 Y73 W76 V77 I80R31-L35 WeakPolarHBondContact O-CB 3.36Å; R31-L35 PolarHBondContact O-N 2.96Å; I32-L35 PolarHBondContact O-N 3.34Å; V33-L35 VanDerWaalsContact C-N 3.3Å; V33-L35 PolarHBondContact O-N 2.86Å; L35-A39 HydrophobicContact CD1-CB 3.62Å; L35-A39 HydrophobicContact CG-CB 4.29Å; L35-A39 WeakPolarHBondContact O-CB 3.18Å; L35-S40 PolarHBondContact O-N 2.84Å; L35-Y73 HydrophobicContact CD1-CD2 3.79Å; L35-Y73 HydrophobicContact CD1-CE2 4.12Å; L35-Y73 HydrophobicContact CD2-CE2 4.49Å; L35-Y73 HydrophobicContact CG-CD2 4.1Å; L35-Y73 HydrophobicContact CG-CE2 3.89Å; L35-W76 HydrophobicContact CD1-CB 3.77Å; L35-W76 HydrophobicContact CD1-CD2 4.46Å; L35-W76 HydrophobicContact CD1-CE3 3.82Å; L35-W76 HydrophobicContact CD2-CB 4.42Å; L35-V77 HydrophobicContact CD2-CG2 3.69Å; L35-I80 HydrophobicContact CB-CD1 4.43Å; L35-I80 HydrophobicContact CD2-CD1 3.64Å
36G93.1Very high91.8Very high48 Ų4848.8 Ų48.850%0.49527%0.272SS..Iπ-helixtrans-80.9-18.3-178.500000115.2I32 V33 S40I32-G36 PolarHBondContact O-N 3.34Å; V33-G36 PolarHBondContact O-N 3.14Å; V33-G36 VanDerWaalsContact O-N 3.11Å; G36-S40 PolarHBondContact O-OG 3.09Å; G36-S40 VanDerWaalsContact O-OG 3.06Å
37T93.2Very high91.8Very high77 Ų7750.1 Ų50.147%0.47228%0.277SS..Iπ-helixtrans-112.1-39.1-178.961.10000113.8V33V33-T37 HydrophobicContact CG1-CG2 4.42Å; V33-T37 WeakPolarHBondContact O-CG2 3.49Å; V33-T37 PolarHBondContact O-N 3.13Å; V33-T37 PolarHBondContact O-OG1 3.14Å
38V93.3Very high91.8Very high62 Ų6255.1 Ų55.138%0.37630%0.303SS..Iπ-helixtrans-98.2-46-176.6-176.20000110.3I34 L42 F179I34-V38 HydrophobicContact CD1-CG2 4.47Å; I34-V38 WeakPolarHBondContact O-CB 3.18Å; I34-V38 PolarHBondContact O-N 3.44Å; V38-L42 VanDerWaalsContact O-CB 3.26Å; V38-L42 WeakPolarHBondContact O-CB 3.21Å; V38-L42 PolarHBondContact O-N 2.95Å; V38-L42 VanDerWaalsContact O-N 3.08Å; V38-F179 HydrophobicContact CB-CE2 3.82Å; V38-F179 HydrophobicContact CB-CZ 4.34Å; V38-F179 HydrophobicContact CG1-CD2 3.81Å; V38-F179 HydrophobicContact CG1-CE2 3.6Å; V38-F179 HydrophobicContact CG1-CZ 4.35Å
39A92.4Very high91.9Very high0 Ų057.4 Ų57.40%031%0.313CS..Iπ-helixtrans-75.2-31.2-174.900000113.3I34 L35 D41 F43 Y73 F179I34-A39 PolarHBondContact O-N 3.25Å; L35-A39 HydrophobicContact CD1-CB 3.62Å; L35-A39 HydrophobicContact CG-CB 4.29Å; L35-A39 WeakPolarHBondContact O-CB 3.18Å; A39-D41 VanDerWaalsContact C-N 3.31Å; A39-D41 PolarHBondContact O-N 3.33Å; A39-F43 HydrophobicContact CB-CD2 4.05Å; A39-F43 HydrophobicContact CB-CE2 4.43Å; A39-F43 WeakPolarHBondContact O-CB 2.89Å; A39-F43 VanDerWaalsContact O-CD2 3.29Å; A39-F43 WeakPolarHBondContact O-CD2 2.98Å; A39-F43 PolarHBondContact O-N 3.19Å; A39-Y73 HydrophobicContact CB-CD2 3.84Å; A39-Y73 HydrophobicContact CB-CE2 4.47Å; A39-F179 HydrophobicContact CB-CE1 3.57Å; A39-F179 HydrophobicContact CB-CZ 3.59Å
40S90.5Very high92Very high29 Ų2954.7 Ų54.720%0.20330%0.297CS..Hα-helixtrans-54-54.6172.748.40000109.7L35 G36 L42 F43 E44L35-S40 PolarHBondContact O-N 2.84Å; G36-S40 PolarHBondContact O-OG 3.09Å; G36-S40 VanDerWaalsContact O-OG 3.06Å; S40-L42 PolarHBondContact O-N 2.75Å; S40-F43 PolarHBondContact O-N 2.87Å; S40-E44 WeakPolarHBondContact O-CB 3.32Å; S40-E44 PolarHBondContact O-N 3.49Å
41D90.8Very high92.1Very high99 Ų9954.5 Ų54.553%0.52930%0.304SS..Hα-helixtrans-73-32.5-171.6-57.58.2000111.4A39A39-D41 VanDerWaalsContact C-N 3.31Å; A39-D41 PolarHBondContact O-N 3.33Å
42L91.6Very high92.2Very high17 Ų1755 Ų559%0.08931%0.308CS..Hα-helixtrans-76.5-30.8179.5-171.263.5000113.2V38 S40 R172 E175 K176 F179V38-L42 VanDerWaalsContact O-CB 3.26Å; V38-L42 WeakPolarHBondContact O-CB 3.21Å; V38-L42 PolarHBondContact O-N 2.95Å; V38-L42 VanDerWaalsContact O-N 3.08Å; S40-L42 PolarHBondContact O-N 2.75Å; L42-R172 HydrophobicContact CD1-CB 4.28Å; L42-E175 HydrophobicContact CD1-CB 3.9Å; L42-K176 HydrophobicContact CD1-CG 4.06Å; L42-K176 HydrophobicContact CD2-CB 4.49Å; L42-K176 HydrophobicContact CD2-CG 3.82Å; L42-K176 HydrophobicContact CG-CG 3.81Å; L42-K176 WeakPolarHBondContact O-CE 3.43Å; L42-F179 HydrophobicContact CD2-CB 3.99Å; L42-F179 HydrophobicContact CD2-CD1 4.19Å; L42-F179 HydrophobicContact CD2-CG 4.12Å
43F90.5Very high92.3Very high20 Ų2056.3 Ų56.39%0.08832%0.316CS..Hα-helixtrans-110.2-4.9-173.7-66.7-89.5000114.6A39 S40 E46 Q72 K176 F179A39-F43 HydrophobicContact CB-CD2 4.05Å; A39-F43 HydrophobicContact CB-CE2 4.43Å; A39-F43 WeakPolarHBondContact O-CB 2.89Å; A39-F43 VanDerWaalsContact O-CD2 3.29Å; A39-F43 WeakPolarHBondContact O-CD2 2.98Å; A39-F43 PolarHBondContact O-N 3.19Å; S40-F43 PolarHBondContact O-N 2.87Å; F43-E46 HydrophobicContact CB-CG 4.28Å; F43-E46 HydrophobicContact CD1-CG 4.11Å; F43-E46 WeakPolarHBondContact CD1-OE1 3.32Å; F43-E46 WeakPolarHBondContact CE1-OE1 3.45Å; F43-Q72 HydrophobicContact CD1-CB 4.41Å; F43-Q72 HydrophobicContact CE1-CB 3.74Å; F43-Q72 HydrophobicContact CE1-CG 4.16Å; F43-Q72 VanDerWaalsContact CE1-OE1 3.31Å; F43-Q72 HydrophobicContact CZ-CB 3.92Å; F43-Q72 HydrophobicContact CZ-CG 4.46Å; F43-K176 HydrophobicContact CE1-CD 4.19Å; F43-K176 HydrophobicContact CE1-CG 4.25Å; F43-K176 HydrophobicContact CZ-CB 4.48Å; F43-K176 HydrophobicContact CZ-CG 4.09Å; F43-F179 AromaticContact CE2-CD1 3.72Å; F43-F179 HydrophobicContact CE2-CD1 3.72Å; F43-F179 AromaticContact CE2-CE1 3.85Å; F43-F179 HydrophobicContact CE2-CE1 3.85Å; F43-F179 HydrophobicContact CZ-CD1 4.32Å
44E88.4Confident92.3Very high143 Ų14354.2 Ų54.267%0.66830%0.303SS*.Hα-helixtrans-68.2-45.5177.6178.8168.2-161.300111.9S40 E46S40-E44 WeakPolarHBondContact O-CB 3.32Å; S40-E44 PolarHBondContact O-N 3.49Å; E44-E46 PolarHBondContact O-N 2.66Å
45D89.4Confident92.3Very high58 Ų5861.6 Ų61.631%0.3134%0.342SS..SBendtrans-90.37.1-174.3-67.3-36000114.3Q47 L48 E49D45-Q47 VanDerWaalsContact C-N 3.3Å; D45-Q47 PolarHBondContact O-N 3.26Å; D45-L48 PolarHBondContact O-N 2.84Å; D45-E49 HydrophobicContact CB-CG 4.16Å; D45-E49 PolarHBondContact O-N 3.42Å
46E88.2Confident92.3Very high5 Ų565.1 Ų65.12%0.02336%0.358CS..Hα-helixtrans-56.7-44.1-172.6-63-159.1118.200113.1F43 E44 L48 F50 Y64 K176F43-E46 HydrophobicContact CB-CG 4.28Å; F43-E46 HydrophobicContact CD1-CG 4.11Å; F43-E46 WeakPolarHBondContact CD1-OE1 3.32Å; F43-E46 WeakPolarHBondContact CE1-OE1 3.45Å; E44-E46 PolarHBondContact O-N 2.66Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-F50 WeakPolarHBondContact O-CB 3.46Å; E46-F50 PolarHBondContact O-N 3.08Å; E46-Y64 HydrophobicContact CB-CE2 4.13Å; E46-K176 VanDerWaalsContact CG-NZ 3.33Å; E46-K176 WeakPolarHBondContact OE1-CD 3.46Å; E46-K176 WeakPolarHBondContact OE1-CE 3.27Å; E46-K176 IonicContact OE1-NZ 2.72Å; E46-K176 PolarHBondContact OE1-NZ 2.96Å
47Q88.8Confident92.4Very high102 Ų10267.6 Ų67.648%0.47737%0.366SS..Hα-helixtrans-72.6-31.2-179.1-170.3176.52.900111.5D45 K60 Y64D45-Q47 VanDerWaalsContact C-N 3.3Å; D45-Q47 PolarHBondContact O-N 3.26Å; Q47-K60 WeakPolarHBondContact O-CE 3.43Å; Q47-K60 PolarHBondContact O-NZ 3.26Å; Q47-Y64 HydrophobicContact CB-CD1 4.41Å; Q47-Y64 HydrophobicContact CB-CD2 4.49Å; Q47-Y64 HydrophobicContact CB-CE1 3.99Å; Q47-Y64 HydrophobicContact CB-CE2 4.1Å; Q47-Y64 HydrophobicContact CG-CD1 3.96Å; Q47-Y64 HydrophobicContact CG-CD2 4.49Å; Q47-Y64 HydrophobicContact CG-CE1 3.98Å; Q47-Y64 HydrophobicContact CG-CG 4.22Å
48L89.7Confident92.5Very high126 Ų12665 Ų6566%0.6636%0.355SS*.Hα-helixtrans-71.3-50.3179.2-67176.6000110.5D45 E46 F50 K60D45-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.33Å; L48-F50 VanDerWaalsContact C-N 3.34Å; L48-F50 PolarHBondContact O-N 3.13Å; L48-K60 PolarHBondContact O-NZ 2.68Å
49E92.4Very high92.6Very high81 Ų8162.1 Ų62.138%0.37934%0.337SS..Hα-helixtrans-79.9-11.5-177.5-64.9179.315100113.4D45 S51 S171 R172D45-E49 HydrophobicContact CB-CG 4.16Å; D45-E49 PolarHBondContact O-N 3.42Å; E49-S51 PolarHBondContact O-N 3.46Å; E49-S171 VanDerWaalsContact CB-CB 3.48Å; E49-S171 WeakPolarHBondContact OE2-CB 2.87Å; E49-S171 PolarHBondContact OE2-OG 3.04Å; E49-R172 IonicContact OE1-NH2 2.99Å; E49-R172 PolarHBondContact OE1-NH2 3.21Å; E49-R172 VanDerWaalsContact OE1-NH2 3.1Å; E49-R172 IonicContact OE2-NE 3.84Å; E49-R172 IonicContact OE2-NH2 3.85Å
50F94.3Very high92.7Very high2 Ų265.4 Ų65.41%0.00935%0.351CS..  trans-66121.8171.7-173.3-103.6000110.8E46 L48 C52 K60 C63 Y64 F68 C168 F169 T170E46-F50 WeakPolarHBondContact O-CB 3.46Å; E46-F50 PolarHBondContact O-N 3.08Å; L48-F50 VanDerWaalsContact C-N 3.34Å; L48-F50 PolarHBondContact O-N 3.13Å; F50-C52 VanDerWaalsContact CE1-SG 3.54Å; F50-K60 HydrophobicContact CD1-CG 4.09Å; F50-K60 VanDerWaalsContact O-CD 3.32Å; F50-K60 WeakPolarHBondContact O-CD 3.33Å; F50-K60 WeakPolarHBondContact O-CE 3.42Å; F50-K60 PolarHBondContact O-NZ 2.88Å; F50-C63 HydrophobicContact CE1-CB 4.17Å; F50-C63 HydrophobicContact CZ-CB 4.44Å; F50-Y64 HydrophobicContact CB-CD2 4.03Å; F50-Y64 HydrophobicContact CD1-CD2 4.09Å; F50-Y64 HydrophobicContact CD1-CG 4.45Å; F50-Y64 HydrophobicContact CD2-CD2 4.3Å; F50-Y64 AromaticContact CG-CD2 3.91Å; F50-Y64 HydrophobicContact CG-CD2 3.91Å; F50-F68 HydrophobicContact CD2-CE2 4.44Å; F50-F68 HydrophobicContact CE2-CE2 4.27Å; F50-C168 HydrophobicContact CE1-CB 3.8Å; F50-C168 HydrophobicContact CE2-CB 3.83Å; F50-C168 HydrophobicContact CZ-CB 3.28Å; F50-F169 WeakPolarHBondContact CD2-O 3.23Å; F50-T170 HydrophobicContact CD2-CG2 4.37Å; F50-T170 HydrophobicContact CE2-CG2 4.2Å
51S95Very high92.9Very high69 Ų6969 Ų6948%0.48337%0.365SS..EExtended strand (participates in β ladder)trans-126.6138.7-175.9-173.90000110.9E49 C168 F169E49-S51 PolarHBondContact O-N 3.46Å; S51-C168 CarbonylContact O-C 3.44Å; S51-C168 WeakPolarHBondContact O-CA 3.4Å; S51-F169 PolarHBondContact N-O 3.48Å; S51-F169 PolarHBondContact O-N 3Å
52C96.5Very high93.2Very high14 Ų1466 Ų6610%0.09535%0.35CS..EExtended strand (participates in β ladder)trans-117.8141.6174.9-60.30000109.7F50 T54 V166 D167 C168F50-C52 VanDerWaalsContact CE1-SG 3.54Å; C52-T54 HydrophobicContact CB-CG2 4.07Å; C52-T54 PolarHBondContact O-N 2.87Å; C52-V166 HydrophobicContact CB-CG2 4.43Å; C52-D167 WeakPolarHBondContact CA-O 3.25Å; C52-C168 HydrophobicContact CB-CB 4.09Å; C52-C168 WeakPolarHBondContact CB-SG 3.11Å; C52-C168 WeakPolarHBondContact SG-CB 3.44Å; C52-C168 CovalentContact SG-SG 2.05Å; C52-C168 PolarHBondContact SG-SG 2.95Å
53N95.6Very high93.4Very high115 Ų11565.2 Ų65.262%0.61535%0.346SS*.SBendtrans-75.764.5179.5-168.611.3000111.7D167N53-D167 PolarHBondContact N-O 2.79Å
54T95.1Very high93.6Very high33 Ų3365.8 Ų65.820%0.20235%0.348CS..  trans-159.4148.8179.3-1740000111.2C52 Q56 C59 V166C52-T54 HydrophobicContact CB-CG2 4.07Å; C52-T54 PolarHBondContact O-N 2.87Å; T54-Q56 HydrophobicContact CG2-CB 4.48Å; T54-Q56 WeakPolarHBondContact OG1-CB 3.49Å; T54-Q56 PolarHBondContact OG1-N 3.02Å; T54-C59 HydrophobicContact CG2-CB 3.94Å; T54-V166 HydrophobicContact CG2-CG1 4.14Å; T54-V166 HydrophobicContact CG2-CG2 4.49Å
55L94.4Very high93.8Very high183 Ų18363 Ų6396%0.95834%0.337SS*.  trans-94.32.8173.2-62.1174.9000112.4P57L55-P57 WeakPolarHBondContact O-CD 3.37Å
56Q94.8Very high94Very high84 Ų8464.4 Ų64.439%0.39334%0.34SS..  trans-70.6120.8-176.8-175.66515.200111.2T54 C59 P161T54-Q56 HydrophobicContact CG2-CB 4.48Å; T54-Q56 WeakPolarHBondContact OG1-CB 3.49Å; T54-Q56 PolarHBondContact OG1-N 3.02Å; Q56-C59 HydrophobicContact CB-CB 4.17Å; Q56-C59 HydrophobicContact CG-CB 4.35Å; Q56-C59 PolarHBondContact O-N 2.91Å; Q56-P161 VanDerWaalsContact CG-O 3.28Å; Q56-P161 WeakPolarHBondContact CG-O 3.46Å
57P95.4Very high94.2Very high101 Ų10165.1 Ų65.166%0.65635%0.348SS*.THydrogen-bonded Turntrans-65.1138.8178.827.1-34.5000110.9L55 C59L55-P57 WeakPolarHBondContact O-CD 3.37Å; P57-C59 VanDerWaalsContact C-N 3.27Å; P57-C59 PolarHBondContact O-N 3.48Å
58G95.1Very high94.3Very high23 Ų2361.5 Ų61.524%0.23733%0.33CS..THydrogen-bonded Turntrans85.9-19.3179.400000115.1K60 Q61 V62G58-K60 PolarHBondContact O-N 3.48Å; G58-Q61 VanDerWaalsContact C-OE1 3.29Å; G58-Q61 PolarHBondContact O-N 2.46Å; G58-Q61 PolarHBondContact O-OE1 3.41Å; G58-V62 PolarHBondContact O-N 3.42Å
59C96.1Very high94.3Very high0 Ų059.7 Ų59.70%033%0.326CS..Hα-helixtrans-63.2-43.9-178.7177.40000111.9T54 Q56 P57 Q61 V62 C63 C162T54-C59 HydrophobicContact CG2-CB 3.94Å; Q56-C59 HydrophobicContact CB-CB 4.17Å; Q56-C59 HydrophobicContact CG-CB 4.35Å; Q56-C59 PolarHBondContact O-N 2.91Å; P57-C59 VanDerWaalsContact C-N 3.27Å; P57-C59 PolarHBondContact O-N 3.48Å; C59-Q61 VanDerWaalsContact C-N 3.31Å; C59-Q61 PolarHBondContact O-N 3.31Å; C59-V62 WeakPolarHBondContact O-CG2 3.44Å; C59-V62 PolarHBondContact O-N 2.95Å; C59-C63 WeakPolarHBondContact O-CB 3.42Å; C59-C63 PolarHBondContact O-N 2.88Å; C59-C63 PolarHBondContact O-SG 2.92Å; C59-C162 VanDerWaalsContact CA-SG 3.58Å; C59-C162 HydrophobicContact CB-CB 4.14Å; C59-C162 WeakPolarHBondContact CB-SG 3.44Å; C59-C162 WeakPolarHBondContact SG-CB 3.39Å; C59-C162 CovalentContact SG-SG 2.03Å; C59-C162 PolarHBondContact SG-SG 3.19Å
60K94.8Very high94.3Very high70 Ų7058.2 Ų58.230%0.30432%0.32SS..Hα-helixtrans-54.1-46.5175.3174.9176.3162.9159.30112Q47 L48 F50 G58 Y64Q47-K60 WeakPolarHBondContact O-CE 3.43Å; Q47-K60 PolarHBondContact O-NZ 3.26Å; L48-K60 PolarHBondContact O-NZ 2.68Å; F50-K60 HydrophobicContact CD1-CG 4.09Å; F50-K60 VanDerWaalsContact O-CD 3.32Å; F50-K60 WeakPolarHBondContact O-CD 3.33Å; F50-K60 WeakPolarHBondContact O-CE 3.42Å; F50-K60 PolarHBondContact O-NZ 2.88Å; G58-K60 PolarHBondContact O-N 3.48Å; K60-Y64 VanDerWaalsContact O-CB 3.32Å; K60-Y64 WeakPolarHBondContact O-CB 3.43Å; K60-Y64 PolarHBondContact O-N 3.44Å
61Q94.9Very high94.1Very high105 Ų10559 Ų5949%0.49133%0.326SS..Hα-helixtrans-65.1-46.3-176.3-64.891.3-41.500112.1G58 C59 C63 D65G58-Q61 VanDerWaalsContact C-OE1 3.29Å; G58-Q61 PolarHBondContact O-N 2.46Å; G58-Q61 PolarHBondContact O-OE1 3.41Å; C59-Q61 VanDerWaalsContact C-N 3.31Å; C59-Q61 PolarHBondContact O-N 3.31Å; Q61-C63 VanDerWaalsContact C-N 3.35Å; Q61-D65 WeakPolarHBondContact O-CB 3.46Å; Q61-D65 PolarHBondContact O-N 3.46Å; Q61-D65 VanDerWaalsContact O-N 3.07Å
62V95.9Very high93.8Very high35 Ų3555.9 Ų55.921%0.21230%0.304CS..Hα-helixtrans-71.4-31.5-178.6-59.90000112.5G58 C59 K66 R159 F160G58-V62 PolarHBondContact O-N 3.42Å; C59-V62 WeakPolarHBondContact O-CG2 3.44Å; C59-V62 PolarHBondContact O-N 2.95Å; V62-K66 WeakPolarHBondContact O-CB 3.43Å; V62-K66 PolarHBondContact O-N 3.25Å; V62-R159 HydrophobicContact CB-CG 4.31Å; V62-R159 HydrophobicContact CG2-CB 4.2Å; V62-R159 HydrophobicContact CG2-CG 4.37Å; V62-R159 WeakPolarHBondContact O-CD 3.34Å; V62-R159 PolarHBondContact O-NH1 3.49Å; V62-F160 WeakPolarHBondContact CG2-O 3.32Å
63C95.9Very high93.6Very high0 Ų059.1 Ų59.10%032%0.315CS..Hα-helixtrans-74-41176.9-69.50000111.8F50 C59 Q61 K66 A67 C157 C162F50-C63 HydrophobicContact CE1-CB 4.17Å; F50-C63 HydrophobicContact CZ-CB 4.44Å; C59-C63 WeakPolarHBondContact O-CB 3.42Å; C59-C63 PolarHBondContact O-N 2.88Å; C59-C63 PolarHBondContact O-SG 2.92Å; Q61-C63 VanDerWaalsContact C-N 3.35Å; C63-K66 PolarHBondContact O-N 3.45Å; C63-A67 WeakPolarHBondContact O-CB 3.41Å; C63-A67 PolarHBondContact O-N 3.44Å; C63-C157 WeakPolarHBondContact CA-SG 3.03Å; C63-C157 HydrophobicContact CB-CB 3.7Å; C63-C157 WeakPolarHBondContact CB-SG 3.25Å; C63-C157 WeakPolarHBondContact SG-CB 3.45Å; C63-C157 CovalentContact SG-SG 2.03Å; C63-C157 PolarHBondContact SG-SG 2.94Å; C63-C162 PolarHBondContact SG-SG 3.27Å
64Y94.1Very high93.5Very high33 Ų3361.2 Ų61.213%0.12931%0.314CS..Hα-helixtrans-58.9-48.1172.3179.1-97.4000111.2E46 Q47 F50 K60 K66 A67 F68E46-Y64 HydrophobicContact CB-CE2 4.13Å; Q47-Y64 HydrophobicContact CB-CD1 4.41Å; Q47-Y64 HydrophobicContact CB-CD2 4.49Å; Q47-Y64 HydrophobicContact CB-CE1 3.99Å; Q47-Y64 HydrophobicContact CB-CE2 4.1Å; Q47-Y64 HydrophobicContact CG-CD1 3.96Å; Q47-Y64 HydrophobicContact CG-CD2 4.49Å; Q47-Y64 HydrophobicContact CG-CE1 3.98Å; Q47-Y64 HydrophobicContact CG-CG 4.22Å; F50-Y64 HydrophobicContact CB-CD2 4.03Å; F50-Y64 HydrophobicContact CD1-CD2 4.09Å; F50-Y64 HydrophobicContact CD1-CG 4.45Å; F50-Y64 HydrophobicContact CD2-CD2 4.3Å; F50-Y64 AromaticContact CG-CD2 3.91Å; F50-Y64 HydrophobicContact CG-CD2 3.91Å; K60-Y64 VanDerWaalsContact O-CB 3.32Å; K60-Y64 WeakPolarHBondContact O-CB 3.43Å; K60-Y64 PolarHBondContact O-N 3.44Å; Y64-K66 VanDerWaalsContact C-N 3.28Å; Y64-K66 PolarHBondContact O-N 3.3Å; Y64-A67 PolarHBondContact O-N 3.09Å; Y64-F68 HydrophobicContact CD2-CD2 4.01Å; Y64-F68 AromaticContact CE2-CD2 3.89Å; Y64-F68 HydrophobicContact CE2-CD2 3.89Å; Y64-F68 PolarHBondContact O-N 3.49Å
65D94.1Very high93.4Very high85 Ų8560.7 Ų60.746%0.45531%0.309SS..Hα-helixtrans-60.3-34.9176.5-179.875.7000112.8Q61 P69 R159Q61-D65 WeakPolarHBondContact O-CB 3.46Å; Q61-D65 PolarHBondContact O-N 3.46Å; Q61-D65 VanDerWaalsContact O-N 3.07Å; D65-P69 WeakPolarHBondContact O-CA 3.27Å; D65-R159 IonicContact OD2-CZ 3.42Å; D65-R159 IonicContact OD2-NH1 3.54Å; D65-R159 PolarHBondContact OD2-NH1 3.07Å; D65-R159 IonicContact OD2-NH2 2.64Å; D65-R159 PolarHBondContact OD2-NH2 2.99Å
66K93Very high93.5Very high86 Ų8652.1 Ų52.137%0.37426%0.263SS..Hα-helixtrans-72.8-40.7176-167.9-176.6173.5170.60112.1V62 C63 Y64 Y155 D158 R159V62-K66 WeakPolarHBondContact O-CB 3.43Å; V62-K66 PolarHBondContact O-N 3.25Å; C63-K66 PolarHBondContact O-N 3.45Å; Y64-K66 VanDerWaalsContact C-N 3.28Å; Y64-K66 PolarHBondContact O-N 3.3Å; K66-Y155 WeakPolarHBondContact CG-OH 3.2Å; K66-D158 IonicContact NZ-OD1 2.84Å; K66-D158 PolarHBondContact NZ-OD1 3.11Å; K66-R159 HydrophobicContact CD-CB 4.26Å
67A91.6Very high93.5Very high21 Ų2150.4 Ų50.417%0.17426%0.259CS..Hα-helixtrans-72.1-39.7-178.200000112C63 Y64 Y155C63-A67 WeakPolarHBondContact O-CB 3.41Å; C63-A67 PolarHBondContact O-N 3.44Å; Y64-A67 PolarHBondContact O-N 3.09Å; A67-Y155 HydrophobicContact CB-CD1 3.79Å; A67-Y155 HydrophobicContact CB-CD2 4.04Å; A67-Y155 HydrophobicContact CB-CE1 3.76Å; A67-Y155 HydrophobicContact CB-CE2 4.03Å; A67-Y155 HydrophobicContact CB-CG 3.92Å
68F91.3Very high93.5Very high26 Ų2651.3 Ų51.311%0.11425%0.253CS..  trans-132.173.6-174.2-55.2-72.4000110.5F50 Y64 I70 V151 T170F50-F68 HydrophobicContact CD2-CE2 4.44Å; F50-F68 HydrophobicContact CE2-CE2 4.27Å; Y64-F68 HydrophobicContact CD2-CD2 4.01Å; Y64-F68 AromaticContact CE2-CD2 3.89Å; Y64-F68 HydrophobicContact CE2-CD2 3.89Å; Y64-F68 PolarHBondContact O-N 3.49Å; F68-I70 PolarHBondContact O-N 3.28Å; F68-I70 VanDerWaalsContact O-N 3.16Å; F68-V151 HydrophobicContact CE1-CG1 4.39Å; F68-V151 HydrophobicContact CZ-CG1 4.34Å; F68-T170 HydrophobicContact CE2-CG2 3.94Å; F68-T170 HydrophobicContact CZ-CG2 3.71Å
69P90.3Very high93.5Very high88 Ų8850.6 Ų50.657%0.57124%0.243SC*.SBendtrans-60.8-28.1-17824.6-34.7000113D65D65-P69 WeakPolarHBondContact O-CA 3.27Å
70I91.3Very high93.5Very high50 Ų5051.4 Ų51.426%0.25625%0.247SC..SBendtrans-139.9129.3167.9-177.4166.6000108.1F68 R74 F78 L146 Y147F68-I70 PolarHBondContact O-N 3.28Å; F68-I70 VanDerWaalsContact O-N 3.16Å; I70-R74 HydrophobicContact CG1-CB 4.14Å; I70-F78 HydrophobicContact CD1-CD2 4.3Å; I70-F78 HydrophobicContact CD1-CE2 4.11Å; I70-L146 HydrophobicContact CG2-CD2 3.59Å; I70-Y147 WeakPolarHBondContact CG2-OH 3.13Å; I70-Y147 WeakPolarHBondContact O-CE1 3.44Å; I70-Y147 PolarHBondContact O-OH 3.23Å
71S90.3Very high93.5Very high17 Ų1752 Ų5212%0.11926%0.256CS..  trans-67145.3177.864.20000111.4Y73 R74 F75 Y147S71-Y73 PolarHBondContact O-N 3.28Å; S71-R74 PolarHBondContact O-N 3.35Å; S71-R74 VanDerWaalsContact O-N 3.08Å; S71-R74 WeakPolarHBondContact OG-CD 3.49Å; S71-R74 VanDerWaalsContact OG-CG 3.32Å; S71-R74 WeakPolarHBondContact OG-CG 3.25Å; S71-F75 PolarHBondContact O-N 3.04Å; S71-F75 VanDerWaalsContact O-N 3.13Å; S71-Y147 PolarHBondContact O-OH 3.47Å
72Q90.1Very high93.5Very high4 Ų450 Ų502%0.01925%0.249CC..Hα-helixtrans-58.2-38.2-178.6-66.490.7-32.300111.5F43 R74 F75 W76 Y147F43-Q72 HydrophobicContact CD1-CB 4.41Å; F43-Q72 HydrophobicContact CE1-CB 3.74Å; F43-Q72 HydrophobicContact CE1-CG 4.16Å; F43-Q72 VanDerWaalsContact CE1-OE1 3.31Å; F43-Q72 HydrophobicContact CZ-CB 3.92Å; F43-Q72 HydrophobicContact CZ-CG 4.46Å; Q72-R74 PolarHBondContact O-N 3.39Å; Q72-F75 WeakPolarHBondContact O-CB 3.46Å; Q72-F75 PolarHBondContact O-N 2.93Å; Q72-W76 PolarHBondContact O-N 2.92Å; Q72-Y147 HydrophobicContact CG-CD1 3.74Å; Q72-Y147 HydrophobicContact CG-CD2 4.38Å; Q72-Y147 HydrophobicContact CG-CE1 3.8Å; Q72-Y147 HydrophobicContact CG-CE2 4.43Å; Q72-Y147 HydrophobicContact CG-CG 4.03Å
73Y91.3Very high93.3Very high83 Ų8348.8 Ų48.833%0.32524%0.241SC..Hα-helixtrans-52.3-51.6173.9172.7-92.9000112L35 A39 S71 F75 W76 V77L35-Y73 HydrophobicContact CD1-CD2 3.79Å; L35-Y73 HydrophobicContact CD1-CE2 4.12Å; L35-Y73 HydrophobicContact CD2-CE2 4.49Å; L35-Y73 HydrophobicContact CG-CD2 4.1Å; L35-Y73 HydrophobicContact CG-CE2 3.89Å; A39-Y73 HydrophobicContact CB-CD2 3.84Å; A39-Y73 HydrophobicContact CB-CE2 4.47Å; S71-Y73 PolarHBondContact O-N 3.28Å; Y73-F75 VanDerWaalsContact C-N 3.34Å; Y73-F75 PolarHBondContact O-N 3.43Å; Y73-W76 PolarHBondContact O-N 3.44Å; Y73-V77 HydrophobicContact CD1-CG2 4.16Å; Y73-V77 HydrophobicContact CE1-CG2 3.7Å; Y73-V77 HydrophobicContact CE2-CG2 4.37Å; Y73-V77 WeakPolarHBondContact O-CG2 3.28Å; Y73-V77 PolarHBondContact O-N 2.93Å
74R93.5Very high93.1Very high159 Ų15949.6 Ų49.660%0.625%0.248SC*.Hα-helixtrans-64.6-40.2-179.1-70.3176-175.6-179.43.8111.5I70 S71 Q72 W76 V77 F78I70-R74 HydrophobicContact CG1-CB 4.14Å; S71-R74 PolarHBondContact O-N 3.35Å; S71-R74 VanDerWaalsContact O-N 3.08Å; S71-R74 WeakPolarHBondContact OG-CD 3.49Å; S71-R74 VanDerWaalsContact OG-CG 3.32Å; S71-R74 WeakPolarHBondContact OG-CG 3.25Å; Q72-R74 PolarHBondContact O-N 3.39Å; R74-W76 VanDerWaalsContact C-N 3.28Å; R74-W76 PolarHBondContact O-N 3.46Å; R74-V77 PolarHBondContact O-N 3.3Å; R74-F78 HydrophobicContact CB-CE2 4.43Å; R74-F78 WeakPolarHBondContact O-CD2 3.29Å; R74-F78 PolarHBondContact O-N 2.9Å
75F94.2Very high93Very high21 Ų2151.5 Ų51.59%0.09226%0.263CS..Hα-helixtrans-57.2-41.8174.8177.2-105.7000111.8S71 Q72 Y73 F78 H79 F139 Q143 Y147S71-F75 PolarHBondContact O-N 3.04Å; S71-F75 VanDerWaalsContact O-N 3.13Å; Q72-F75 WeakPolarHBondContact O-CB 3.46Å; Q72-F75 PolarHBondContact O-N 2.93Å; Y73-F75 VanDerWaalsContact C-N 3.34Å; Y73-F75 PolarHBondContact O-N 3.43Å; F75-F78 PolarHBondContact O-N 3.39Å; F75-H79 PolarHBondContact O-N 3.39Å; F75-H79 VanDerWaalsContact O-N 3.09Å; F75-F139 HydrophobicContact CD1-CD1 4.5Å; F75-F139 HydrophobicContact CD2-CD1 4.11Å; F75-F139 HydrophobicContact CD2-CE1 4.12Å; F75-F139 AromaticContact CE1-CD1 3.94Å; F75-F139 HydrophobicContact CE1-CD1 3.94Å; F75-F139 AromaticContact CE2-CD1 3.54Å; F75-F139 HydrophobicContact CE2-CD1 3.54Å; F75-F139 AromaticContact CE2-CE1 3.88Å; F75-F139 HydrophobicContact CE2-CE1 3.88Å; F75-F139 HydrophobicContact CZ-CB 4.24Å; F75-F139 AromaticContact CZ-CD1 3.44Å; F75-F139 HydrophobicContact CZ-CD1 3.44Å; F75-F139 VanDerWaalsContact CZ-CD1 3.44Å; F75-F139 HydrophobicContact CZ-CE1 4.24Å; F75-F139 HydrophobicContact CZ-CG 4.26Å; F75-F139 WeakPolarHBondContact CZ-O 3.18Å; F75-F139 WeakPolarHBondContact O-CE1 3.47Å; F75-Q143 HydrophobicContact CE1-CB 4.02Å; F75-Q143 HydrophobicContact CZ-CB 4.42Å; F75-Y147 HydrophobicContact CB-CE2 3.93Å; F75-Y147 WeakPolarHBondContact CB-OH 3.33Å; F75-Y147 HydrophobicContact CD1-CD2 4.37Å; F75-Y147 AromaticContact CD1-CE2 3.71Å; F75-Y147 HydrophobicContact CD1-CE2 3.71Å; F75-Y147 HydrophobicContact CD2-CE2 4.15Å; F75-Y147 HydrophobicContact CE1-CE2 4.28Å; F75-Y147 AromaticContact CG-CE2 3.68Å; F75-Y147 HydrophobicContact CG-CE2 3.68Å
76W95.1Very high92.8Very high3 Ų348.6 Ų48.61%0.01125%0.248CC..Hα-helixtrans-75-32.1177.6-63.3-2.8000113.7L35 Q72 Y73 R74 F78 H79 I80 F179 Y183L35-W76 HydrophobicContact CD1-CB 3.77Å; L35-W76 HydrophobicContact CD1-CD2 4.46Å; L35-W76 HydrophobicContact CD1-CE3 3.82Å; L35-W76 HydrophobicContact CD2-CB 4.42Å; Q72-W76 PolarHBondContact O-N 2.92Å; Y73-W76 PolarHBondContact O-N 3.44Å; R74-W76 VanDerWaalsContact C-N 3.28Å; R74-W76 PolarHBondContact O-N 3.46Å; W76-F78 VanDerWaalsContact C-N 3.35Å; W76-H79 WeakPolarHBondContact O-CB 3.05Å; W76-H79 PolarHBondContact O-N 3.37Å; W76-I80 WeakPolarHBondContact O-CG1 3.31Å; W76-I80 PolarHBondContact O-N 3.13Å; W76-F179 AromaticContact CE3-CE1 3.84Å; W76-F179 HydrophobicContact CE3-CE1 3.84Å; W76-F179 HydrophobicContact CE3-CZ 4.28Å; W76-F179 AromaticContact CH2-CD1 3.43Å; W76-F179 HydrophobicContact CH2-CD1 3.43Å; W76-F179 VanDerWaalsContact CH2-CD1 3.43Å; W76-F179 AromaticContact CH2-CE1 3.4Å; W76-F179 HydrophobicContact CH2-CE1 3.4Å; W76-F179 VanDerWaalsContact CH2-CE1 3.4Å; W76-F179 HydrophobicContact CH2-CG 4.3Å; W76-F179 HydrophobicContact CH2-CZ 4.18Å; W76-F179 AromaticContact CZ3-CD1 3.52Å; W76-F179 HydrophobicContact CZ3-CD1 3.52Å; W76-F179 AromaticContact CZ3-CE1 2.93Å; W76-F179 HydrophobicContact CZ3-CE1 2.93Å; W76-F179 HydrophobicContact CZ3-CE2 4.38Å; W76-F179 HydrophobicContact CZ3-CG 4.46Å; W76-F179 AromaticContact CZ3-CZ 3.43Å; W76-F179 HydrophobicContact CZ3-CZ 3.43Å; W76-F179 VanDerWaalsContact CZ3-CZ 3.43Å; W76-Y183 HydrophobicContact CB-CE1 4.13Å; W76-Y183 AromaticContact CD1-CE1 3.97Å; W76-Y183 AromaticContact CD2-CD1 3.46Å; W76-Y183 HydrophobicContact CD2-CD1 3.46Å; W76-Y183 VanDerWaalsContact CD2-CD1 3.46Å; W76-Y183 HydrophobicContact CD2-CD2 4.15Å; W76-Y183 AromaticContact CD2-CE1 3.46Å; W76-Y183 HydrophobicContact CD2-CE1 3.46Å; W76-Y183 VanDerWaalsContact CD2-CE1 3.46Å; W76-Y183 HydrophobicContact CD2-CE2 4.13Å; W76-Y183 AromaticContact CD2-CG 3.82Å; W76-Y183 HydrophobicContact CD2-CG 3.82Å; W76-Y183 AromaticContact CD2-CZ 3.79Å; W76-Y183 AromaticContact CE2-CD1 3.48Å; W76-Y183 VanDerWaalsContact CE2-CD1 3.48Å; W76-Y183 AromaticContact CE2-CE1 3.91Å; W76-Y183 AromaticContact CE2-CG 3.9Å; W76-Y183 AromaticContact CE3-CD1 3.55Å; W76-Y183 HydrophobicContact CE3-CD1 3.55Å; W76-Y183 AromaticContact CE3-CD2 3.34Å; W76-Y183 HydrophobicContact CE3-CD2 3.34Å; W76-Y183 AromaticContact CE3-CE1 3.64Å; W76-Y183 HydrophobicContact CE3-CE1 3.64Å; W76-Y183 AromaticContact CE3-CE2 3.41Å; W76-Y183 HydrophobicContact CE3-CE2 3.41Å; W76-Y183 VanDerWaalsContact CE3-CE2 3.41Å; W76-Y183 AromaticContact CE3-CG 3.39Å; W76-Y183 HydrophobicContact CE3-CG 3.39Å; W76-Y183 AromaticContact CE3-CZ 3.56Å; W76-Y183 HydrophobicContact CG-CD1 4.07Å; W76-Y183 AromaticContact CG-CE1 3.62Å; W76-Y183 HydrophobicContact CG-CE1 3.62Å; W76-Y183 AromaticContact CG-CZ 3.97Å; W76-Y183 AromaticContact CH2-CD1 3.85Å; W76-Y183 HydrophobicContact CH2-CD1 3.85Å; W76-Y183 AromaticContact CH2-CD2 3.91Å; W76-Y183 HydrophobicContact CH2-CD2 3.91Å; W76-Y183 AromaticContact CH2-CG 3.36Å; W76-Y183 HydrophobicContact CH2-CG 3.36Å; W76-Y183 AromaticContact CZ2-CD1 3.74Å; W76-Y183 HydrophobicContact CZ2-CD1 3.74Å; W76-Y183 AromaticContact CZ2-CG 3.76Å; W76-Y183 HydrophobicContact CZ2-CG 3.76Å; W76-Y183 AromaticContact CZ3-CD1 3.68Å; W76-Y183 HydrophobicContact CZ3-CD1 3.68Å; W76-Y183 AromaticContact CZ3-CD2 3.13Å; W76-Y183 HydrophobicContact CZ3-CD2 3.13Å; W76-Y183 HydrophobicContact CZ3-CE1 4.22Å; W76-Y183 AromaticContact CZ3-CE2 3.74Å; W76-Y183 HydrophobicContact CZ3-CE2 3.74Å; W76-Y183 AromaticContact CZ3-CG 3.08Å; W76-Y183 HydrophobicContact CZ3-CG 3.08Å; W76-Y183 AromaticContact NE1-CD1 3.95Å
77V95.8Very high92.6Very high48 Ų4846 Ų4629%0.29124%0.241SC..Hα-helixtrans-58.7-48.6170.1173.10000110.2L35 Y73 R74 H79 I80 V81L35-V77 HydrophobicContact CD2-CG2 3.69Å; Y73-V77 HydrophobicContact CD1-CG2 4.16Å; Y73-V77 HydrophobicContact CE1-CG2 3.7Å; Y73-V77 HydrophobicContact CE2-CG2 4.37Å; Y73-V77 WeakPolarHBondContact O-CG2 3.28Å; Y73-V77 PolarHBondContact O-N 2.93Å; R74-V77 PolarHBondContact O-N 3.3Å; V77-H79 VanDerWaalsContact C-N 3.28Å; V77-H79 PolarHBondContact O-N 2.88Å; V77-I80 PolarHBondContact O-N 3.37Å; V77-V81 HydrophobicContact CG1-CG2 4.43Å; V77-V81 WeakPolarHBondContact O-CG2 3.27Å; V77-V81 PolarHBondContact O-N 3.09Å
78F95.6Very high92.4Very high121 Ų12150.7 Ų50.753%0.53126%0.263SS..Hα-helixtrans-61-38.9177.2-69.7-55.6000112.2I70 R74 F75 W76 V81 L82 F139I70-F78 HydrophobicContact CD1-CD2 4.3Å; I70-F78 HydrophobicContact CD1-CE2 4.11Å; R74-F78 HydrophobicContact CB-CE2 4.43Å; R74-F78 WeakPolarHBondContact O-CD2 3.29Å; R74-F78 PolarHBondContact O-N 2.9Å; F75-F78 PolarHBondContact O-N 3.39Å; W76-F78 VanDerWaalsContact C-N 3.35Å; F78-V81 PolarHBondContact O-N 3.31Å; F78-L82 VanDerWaalsContact O-CB 3.29Å; F78-L82 WeakPolarHBondContact O-CB 3.44Å; F78-L82 PolarHBondContact O-N 2.96Å; F78-F139 HydrophobicContact CB-CE1 4.23Å; F78-F139 HydrophobicContact CB-CZ 4.18Å
79H95.4Very high92.4Very high8 Ų853.5 Ų53.54%0.03728%0.282CS..Hα-helixtrans-57.9-52.2174.1-177.6-152.5000111.7F75 W76 V77 V81 L82 I83 F139F75-H79 PolarHBondContact O-N 3.39Å; F75-H79 VanDerWaalsContact O-N 3.09Å; W76-H79 WeakPolarHBondContact O-CB 3.05Å; W76-H79 PolarHBondContact O-N 3.37Å; V77-H79 VanDerWaalsContact C-N 3.28Å; V77-H79 PolarHBondContact O-N 2.88Å; H79-V81 PolarHBondContact O-N 3.49Å; H79-L82 PolarHBondContact O-N 3.38Å; H79-I83 WeakPolarHBondContact O-CG1 3.4Å; H79-I83 PolarHBondContact O-N 3.01Å; H79-F139 HydrophobicContact CB-CB 4.37Å; H79-F139 HydrophobicContact CB-CD1 3.51Å; H79-F139 HydrophobicContact CB-CD2 4.09Å; H79-F139 HydrophobicContact CB-CE1 3.7Å; H79-F139 HydrophobicContact CB-CE2 4.26Å; H79-F139 HydrophobicContact CB-CG 3.73Å; H79-F139 HydrophobicContact CB-CZ 4.08Å; H79-F139 AromaticContact CD2-CD2 3.45Å; H79-F139 VanDerWaalsContact CD2-CD2 3.45Å; H79-F139 WeakPolarHBondContact CD2-CD2 3.33Å; H79-F139 AromaticContact CD2-CG 3.55Å; H79-F139 AromaticContact CG-CD1 3.96Å; H79-F139 AromaticContact CG-CD2 3.96Å; H79-F139 AromaticContact CG-CG 3.66Å
80I95.1Very high92.3Very high17 Ų1750.9 Ų50.99%0.08726%0.262CS..Hα-helixtrans-60-45.8-179.8-69.7178.4000111.4L28 R31 I32 L35 W76 V77 L82 I83 A84L28-I80 HydrophobicContact CD1-CG2 4.18Å; R31-I80 HydrophobicContact CB-CD1 4.06Å; R31-I80 HydrophobicContact CB-CG1 4.47Å; I32-I80 HydrophobicContact CD1-CG2 4.32Å; I32-I80 HydrophobicContact CG1-CD1 4.1Å; I32-I80 HydrophobicContact CG1-CG2 3.89Å; L35-I80 HydrophobicContact CB-CD1 4.43Å; L35-I80 HydrophobicContact CD2-CD1 3.64Å; W76-I80 WeakPolarHBondContact O-CG1 3.31Å; W76-I80 PolarHBondContact O-N 3.13Å; V77-I80 PolarHBondContact O-N 3.37Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 3.17Å; I80-I83 WeakPolarHBondContact O-CG1 3.33Å; I80-I83 PolarHBondContact O-N 3.44Å; I80-A84 WeakPolarHBondContact O-CB 3.46Å; I80-A84 PolarHBondContact O-N 3.27Å
81V94.8Very high92.1Very high81 Ų8152.5 Ų52.549%0.49127%0.274SS..Hα-helixtrans-59.8-44.4178.7170.80000110.5V77 F78 H79 A84 T85V77-V81 HydrophobicContact CG1-CG2 4.43Å; V77-V81 WeakPolarHBondContact O-CG2 3.27Å; V77-V81 PolarHBondContact O-N 3.09Å; F78-V81 PolarHBondContact O-N 3.31Å; H79-V81 PolarHBondContact O-N 3.49Å; V81-A84 PolarHBondContact O-N 3.47Å; V81-T85 WeakPolarHBondContact O-CB 3.32Å; V81-T85 PolarHBondContact O-N 3.04Å; V81-T85 PolarHBondContact O-OG1 3.27Å
82L94.8Very high92Very high65 Ų6558 Ų5834%0.3430%0.299SS..Hα-helixtrans-69.2-36.3-176.5-162.8143.5000112.3F78 H79 I80 P86 F131 A135 F139F78-L82 VanDerWaalsContact O-CB 3.29Å; F78-L82 WeakPolarHBondContact O-CB 3.44Å; F78-L82 PolarHBondContact O-N 2.96Å; H79-L82 PolarHBondContact O-N 3.38Å; I80-L82 VanDerWaalsContact C-N 3.3Å; I80-L82 PolarHBondContact O-N 3.17Å; L82-P86 WeakPolarHBondContact O-CD 3.47Å; L82-F131 HydrophobicContact CD2-CE1 3.58Å; L82-F131 HydrophobicContact CD2-CZ 3.71Å; L82-F131 HydrophobicContact CG-CE1 4.12Å; L82-F131 HydrophobicContact CG-CZ 4.06Å; L82-F131 WeakPolarHBondContact O-CE1 3.19Å; L82-A135 HydrophobicContact CD2-CB 3.12Å; L82-F139 HydrophobicContact CB-CE2 4.25Å; L82-F139 HydrophobicContact CD1-CE2 4.21Å; L82-F139 HydrophobicContact CD2-CE2 4.36Å
83I92.5Very high91.9Very high8 Ų862.1 Ų62.14%0.04132%0.315CS..Hα-helixtrans-77-31.8175.364.7-178000113.2L28 H79 I80 S87 R132 A135 E136L28-I83 HydrophobicContact CD1-CD1 3.56Å; L28-I83 HydrophobicContact CD1-CG1 3.83Å; H79-I83 WeakPolarHBondContact O-CG1 3.4Å; H79-I83 PolarHBondContact O-N 3.01Å; I80-I83 WeakPolarHBondContact O-CG1 3.33Å; I80-I83 PolarHBondContact O-N 3.44Å; I83-S87 PolarHBondContact O-OG 3Å; I83-R132 HydrophobicContact CB-CG 4.32Å; I83-R132 HydrophobicContact CG2-CG 4.36Å; I83-A135 HydrophobicContact CG2-CB 3.9Å; I83-E136 HydrophobicContact CG2-CG 4.07Å
84A91.4Very high91.7Very high17 Ų1758.8 Ų58.814%0.1431%0.305CS..Hα-helixtrans-77.7-42.6-177.500000112.6L28 I80 V81 S87 L88L28-A84 HydrophobicContact CD2-CB 4.24Å; I80-A84 WeakPolarHBondContact O-CB 3.46Å; I80-A84 PolarHBondContact O-N 3.27Å; V81-A84 PolarHBondContact O-N 3.47Å; A84-S87 WeakPolarHBondContact O-CB 3.45Å; A84-S87 PolarHBondContact O-N 2.9Å; A84-L88 WeakPolarHBondContact O-CG 3.42Å; A84-L88 PolarHBondContact O-N 3.24Å
85T90.8Very high91.5Very high73 Ų7354.8 Ų54.845%0.44830%0.298SS..Hα-helixtrans-50-55.2-176.7-60.90000114.3V81 S87 L88 V89V81-T85 WeakPolarHBondContact O-CB 3.32Å; V81-T85 PolarHBondContact O-N 3.04Å; V81-T85 PolarHBondContact O-OG1 3.27Å; T85-S87 VanDerWaalsContact C-N 3.29Å; T85-S87 PolarHBondContact O-N 3.41Å; T85-L88 PolarHBondContact O-N 2.89Å; T85-V89 VanDerWaalsContact O-CG2 3.32Å; T85-V89 WeakPolarHBondContact O-CG2 3.34Å; T85-V89 PolarHBondContact O-N 2.91Å
86P90.7Very high91.2Very high24 Ų2459.9 Ų59.916%0.15632%0.322CS..Hα-helixtrans-68.6-31-17634.3-42.4000111.5L82 F90 N128 F131L82-P86 WeakPolarHBondContact O-CD 3.47Å; P86-F90 WeakPolarHBondContact O-CB 3.36Å; P86-F90 PolarHBondContact O-N 3.3Å; P86-N128 WeakPolarHBondContact CB-OD1 3.29Å; P86-N128 PolarHBondContact O-OD1 2.93Å; P86-F131 HydrophobicContact CB-CD1 3.99Å; P86-F131 HydrophobicContact CB-CE1 4.32Å; P86-F131 HydrophobicContact CG-CD1 3.61Å; P86-F131 HydrophobicContact CG-CE1 3.84Å
87S88.1Confident90.7Very high31 Ų3160.5 Ų60.522%0.21733%0.325CS..Hα-helixtrans-66.9-44.5175.6-59.60000111.6I83 A84 T85 F90 V91 N128I83-S87 PolarHBondContact O-OG 3Å; A84-S87 WeakPolarHBondContact O-CB 3.45Å; A84-S87 PolarHBondContact O-N 2.9Å; T85-S87 VanDerWaalsContact C-N 3.29Å; T85-S87 PolarHBondContact O-N 3.41Å; S87-F90 PolarHBondContact O-N 3.08Å; S87-V91 WeakPolarHBondContact O-CG2 3.41Å; S87-V91 PolarHBondContact O-N 3.17Å; S87-N128 PolarHBondContact N-OD1 3.23Å
88L88.4Confident90.2Very high121 Ų12162 Ų6263%0.63433%0.331SS*.Hα-helixtrans-63.5-45.1176-70.3175.3000111.5A84 T85 F90 V91 M92A84-L88 WeakPolarHBondContact O-CG 3.42Å; A84-L88 PolarHBondContact O-N 3.24Å; T85-L88 PolarHBondContact O-N 2.89Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 3.49Å; L88-V91 PolarHBondContact O-N 3.39Å; L88-M92 WeakPolarHBondContact O-CB 3.38Å; L88-M92 PolarHBondContact O-N 3.42Å
89V89.9Confident89.9Confident84 Ų8460.8 Ų60.851%0.50933%0.33SS..Hα-helixtrans-60.3-43176.5171.80000110.9T85 Y93T85-V89 VanDerWaalsContact O-CG2 3.32Å; T85-V89 WeakPolarHBondContact O-CG2 3.34Å; T85-V89 PolarHBondContact O-N 2.91Å; V89-Y93 WeakPolarHBondContact O-CB 3.46Å; V89-Y93 PolarHBondContact O-N 3.46Å
90F89.3Confident89.5Confident34 Ų3466.1 Ų66.115%0.14935%0.353CS..Hα-helixtrans-63-47.7177.4172.8-100.1000112.5P86 S87 L88 Y93 A94 L121 L124 Y125 N128P86-F90 WeakPolarHBondContact O-CB 3.36Å; P86-F90 PolarHBondContact O-N 3.3Å; S87-F90 PolarHBondContact O-N 3.08Å; L88-F90 VanDerWaalsContact C-N 3.32Å; L88-F90 PolarHBondContact O-N 3.49Å; F90-Y93 PolarHBondContact O-N 3.1Å; F90-A94 WeakPolarHBondContact O-CB 3.27Å; F90-A94 PolarHBondContact O-N 3.38Å; F90-L121 HydrophobicContact CE2-CD1 4.38Å; F90-L121 HydrophobicContact CE2-CG 4.4Å; F90-L124 HydrophobicContact CD2-CB 4.39Å; F90-L124 HydrophobicContact CE2-CB 4.49Å; F90-Y125 AromaticContact CE1-CD2 3.97Å; F90-Y125 HydrophobicContact CE1-CD2 3.97Å; F90-Y125 AromaticContact CZ-CD2 3.91Å; F90-Y125 HydrophobicContact CZ-CD2 3.91Å; F90-Y125 HydrophobicContact CZ-CG 4.22Å; F90-N128 HydrophobicContact CB-CB 4.46Å
91V86.5Confident88.8Confident84 Ų8466.9 Ų66.951%0.50936%0.356SS..Hα-helixtrans-62.6-46178.9170.70000110.6S87 L88 Y93 A94 T95S87-V91 WeakPolarHBondContact O-CG2 3.41Å; S87-V91 PolarHBondContact O-N 3.17Å; L88-V91 PolarHBondContact O-N 3.39Å; V91-Y93 VanDerWaalsContact C-N 3.34Å; V91-Y93 PolarHBondContact O-N 2.94Å; V91-A94 PolarHBondContact O-N 2.95Å; V91-T95 WeakPolarHBondContact O-CB 3.29Å; V91-T95 PolarHBondContact O-N 3.26Å; V91-T95 PolarHBondContact O-OG1 2.78Å; V91-T95 VanDerWaalsContact O-OG1 3.06Å
92M88.1Confident88.3Confident132 Ų13267.1 Ų67.165%0.6537%0.367SS*.Hα-helixtrans-57.4-48176.5-174.8-173.776.100111.2L88 H96L88-M92 WeakPolarHBondContact O-CB 3.38Å; L88-M92 PolarHBondContact O-N 3.42Å; M92-H96 WeakPolarHBondContact O-CB 3.32Å; M92-H96 PolarHBondContact O-N 2.88Å
93Y88.5Confident87.9Confident91 Ų9172.9 Ų72.936%0.35739%0.389SS..Hα-helixtrans-61-46.6177.7178-95.6000112.1V89 F90 V91 H97 L121 L124V89-Y93 WeakPolarHBondContact O-CB 3.46Å; V89-Y93 PolarHBondContact O-N 3.46Å; F90-Y93 PolarHBondContact O-N 3.1Å; V91-Y93 VanDerWaalsContact C-N 3.34Å; V91-Y93 PolarHBondContact O-N 2.94Å; Y93-H97 WeakPolarHBondContact O-CB 3.28Å; Y93-H97 PolarHBondContact O-N 3.25Å; Y93-L121 HydrophobicContact CD1-CD1 3.67Å; Y93-L121 HydrophobicContact CE1-CD1 3.63Å; Y93-L124 HydrophobicContact CD1-CD1 3.86Å; Y93-L124 HydrophobicContact CE1-CD1 3.41Å; Y93-L124 VanDerWaalsContact CE1-CD1 3.41Å
94A88.3Confident87.3Confident13 Ų1376.3 Ų76.311%0.10740%0.401CS..Hα-helixtrans-62.3-46.7-179.200000111.9F90 V91 H97 N98 L121F90-A94 WeakPolarHBondContact O-CB 3.27Å; F90-A94 PolarHBondContact O-N 3.38Å; V91-A94 PolarHBondContact O-N 2.95Å; A94-H97 PolarHBondContact O-N 3.42Å; A94-N98 WeakPolarHBondContact O-CB 3.25Å; A94-N98 PolarHBondContact O-N 3.01Å; A94-N98 PolarHBondContact O-ND2 3.27Å; A94-L121 HydrophobicContact CB-CD1 4.02Å; A94-L121 HydrophobicContact CB-CD2 4.45Å
95T87.5Confident86.8Confident74 Ų7480.9 Ų80.945%0.45443%0.429SS..Hα-helixtrans-63.5-48.7178.7-60.50000111.5V91 H97 N98 N99V91-T95 WeakPolarHBondContact O-CB 3.29Å; V91-T95 PolarHBondContact O-N 3.26Å; V91-T95 PolarHBondContact O-OG1 2.78Å; V91-T95 VanDerWaalsContact O-OG1 3.06Å; T95-H97 VanDerWaalsContact C-N 3.29Å; T95-H97 PolarHBondContact O-N 3.09Å; T95-N98 PolarHBondContact O-N 2.85Å; T95-N99 WeakPolarHBondContact O-CB 3.48Å; T95-N99 VanDerWaalsContact O-CG 3.28Å; T95-N99 PolarHBondContact O-N 3.38Å
96H88.3Confident86.2Confident129 Ų12987.6 Ų87.660%0.59745%0.452SS*.Hα-helixtrans-59.3-42.4177.6175.6-99000111.8M92 N99 K100M92-H96 WeakPolarHBondContact O-CB 3.32Å; M92-H96 PolarHBondContact O-N 2.88Å; H96-N99 PolarHBondContact O-N 2.6Å; H96-K100 PolarHBondContact O-N 3.49Å
97H85.6Confident85.8Confident16 Ų1689.6 Ų89.67%0.07447%0.467CS..Hα-helixtrans-69.5-39.2179.8179.1-118.9000113.2Y93 A94 T95 K100 K101 D117Y93-H97 WeakPolarHBondContact O-CB 3.28Å; Y93-H97 PolarHBondContact O-N 3.25Å; A94-H97 PolarHBondContact O-N 3.42Å; T95-H97 VanDerWaalsContact C-N 3.29Å; T95-H97 PolarHBondContact O-N 3.09Å; H97-K100 PolarHBondContact O-N 3.35Å; H97-K101 WeakPolarHBondContact CE1-CE 3.5Å; H97-K101 PolarHBondContact CE1-NZ 2.99Å; H97-K101 VanDerWaalsContact CE1-NZ 3.3Å; H97-K101 WeakPolarHBondContact O-CG 3.27Å; H97-K101 PolarHBondContact O-N 3.37Å; H97-D117 IonicContact NE2-OD1 3.96Å; H97-D117 IonicContact NE2-OD2 3.51Å
98N84.8Confident84.9Confident79 Ų7997.1 Ų97.142%0.42250%0.496SS..Hα-helixtrans-64.8-41.4175-72-13.2000111.5A94 T95 K100 K101 A102A94-N98 WeakPolarHBondContact O-CB 3.25Å; A94-N98 PolarHBondContact O-N 3.01Å; A94-N98 PolarHBondContact O-ND2 3.27Å; T95-N98 PolarHBondContact O-N 2.85Å; N98-K100 VanDerWaalsContact C-N 3.31Å; N98-K100 PolarHBondContact O-N 3.47Å; N98-K101 WeakPolarHBondContact O-CB 3.43Å; N98-K101 PolarHBondContact O-N 3.46Å; N98-K101 VanDerWaalsContact O-N 3.15Å; N98-A102 PolarHBondContact O-N 3.4Å
99N88.7Confident84.4Confident96 Ų96101.6 Ų101.651%0.51350%0.504SS..Hα-helixtrans-62.4-39.5174.6-70.6-8.6000111.8T95 H96 A102 K103T95-N99 WeakPolarHBondContact O-CB 3.48Å; T95-N99 VanDerWaalsContact O-CG 3.28Å; T95-N99 PolarHBondContact O-N 3.38Å; H96-N99 PolarHBondContact O-N 2.6Å; N99-A102 PolarHBondContact O-N 3.23Å; N99-K103 PolarHBondContact O-N 2.91Å
100K86.9Confident83.8Confident120 Ų12098.6 Ų98.652%0.52249%0.487SS..Hα-helixtrans-65.4-39.3174-171.4172.9-175173.60111.8H96 H97 N98 K103 R104H96-K100 PolarHBondContact O-N 3.49Å; H97-K100 PolarHBondContact O-N 3.35Å; N98-K100 VanDerWaalsContact C-N 3.31Å; N98-K100 PolarHBondContact O-N 3.47Å; K100-K103 PolarHBondContact O-N 2.99Å; K100-R104 WeakPolarHBondContact O-CG 3.28Å
101K81.4Confident83.2Confident32 Ų32102.5 Ų102.514%0.13951%0.508CS..Hα-helixtrans-64.1-42.9176-77.3175.3169.7175.50112.3H97 N98 K103 R104 D117 N118H97-K101 WeakPolarHBondContact CE1-CE 3.5Å; H97-K101 PolarHBondContact CE1-NZ 2.99Å; H97-K101 VanDerWaalsContact CE1-NZ 3.3Å; H97-K101 WeakPolarHBondContact O-CG 3.27Å; H97-K101 PolarHBondContact O-N 3.37Å; N98-K101 WeakPolarHBondContact O-CB 3.43Å; N98-K101 PolarHBondContact O-N 3.46Å; N98-K101 VanDerWaalsContact O-N 3.15Å; K101-K103 PolarHBondContact O-N 2.96Å; K101-R104 PolarHBondContact O-N 3.4Å; K101-R104 VanDerWaalsContact O-N 3.07Å; K101-D117 VanDerWaalsContact CE-CB 3.44Å; K101-N118 PolarHBondContact NZ-OD1 3.05Å
102A84.1Confident82.8Confident87 Ų87102.6 Ų102.672%0.71951%0.505SS*.Hα-helixtrans-59.8-28.6-18000000113.1N98 N99N98-A102 PolarHBondContact O-N 3.4Å; N99-A102 PolarHBondContact O-N 3.23Å
103K85.8Confident82.5Confident186 Ų18699.6 Ų99.681%0.80949%0.49SS*.THydrogen-bonded Turntrans-86.7-5.9178.6-65.1179179.8-176.30114.4N99 K100 K101N99-K103 PolarHBondContact O-N 2.91Å; K100-K103 PolarHBondContact O-N 2.99Å; K101-K103 PolarHBondContact O-N 2.96Å
104R81.1Confident82.1Confident80 Ų8097.9 Ų97.930%0.30249%0.487SS..SBendtrans-81139.6-177.9-71.1179.5-176.4171.83111.4K100 K101 D117K100-R104 WeakPolarHBondContact O-CG 3.28Å; K101-R104 PolarHBondContact O-N 3.4Å; K101-R104 VanDerWaalsContact O-N 3.07Å; R104-D117 IonicContact CZ-OD2 3.82Å; R104-D117 IonicContact NH1-OD2 2.91Å; R104-D117 PolarHBondContact NH1-OD2 2.83Å; R104-D117 IonicContact NH2-OD2 3.84Å
105P80.6Confident81.7Confident112 Ų112100.8 Ų100.873%0.72750%0.495SS*.  trans-64.7139.3173.326.5-32.9000111.1S107P105-S107 PolarHBondContact O-N 3.23Å
106K77.6Confident81.4Confident214 Ų214100.1 Ų100.193%0.9349%0.488SS*.  trans-74.4110.5179.7-64.1-177.3-177.8178.20109.7
107S81.4Confident81.1Confident67 Ų6794.3 Ų94.347%0.46946%0.461SS..  trans-136.2157.1178.6170.20000110.4P105 R109 S110 I111P105-S107 PolarHBondContact O-N 3.23Å; S107-R109 PolarHBondContact O-N 2.69Å; S107-R109 VanDerWaalsContact O-N 3.12Å; S107-R109 PolarHBondContact OG-N 3.01Å; S107-S110 PolarHBondContact N-OG 3.44Å; S107-S110 WeakPolarHBondContact O-CA 3.26Å; S107-S110 WeakPolarHBondContact O-CB 3.27Å; S107-S110 PolarHBondContact O-N 2.95Å; S107-S110 PolarHBondContact O-OG 2.87Å; S107-I111 PolarHBondContact O-N 3.5Å
108K71.1Confident80.9Confident188 Ų18897.5 Ų97.582%0.81748%0.479SS*.Hα-helixtrans-53.2-34.4173-74.3-172.5178.6-176.40112S110 I111K108-S110 VanDerWaalsContact C-N 3.35Å; K108-S110 PolarHBondContact O-N 3.5Å; K108-I111 PolarHBondContact O-N 3.01Å
109R76.3Confident80.8Confident215 Ų21598.9 Ų98.981%0.81148%0.478SS*.Hα-helixtrans-69.2-27.8174.9-164.6165.4-172.5165.11.3113.4S107 I111 Q113S107-R109 PolarHBondContact O-N 2.69Å; S107-R109 VanDerWaalsContact O-N 3.12Å; S107-R109 PolarHBondContact OG-N 3.01Å; R109-I111 VanDerWaalsContact C-N 3.35Å; R109-Q113 PolarHBondContact O-N 3.43Å
110S77.9Confident80.6Confident21 Ų21100.6 Ų100.615%0.14748%0.478CS..Hα-helixtrans-73.7-25.817769.80000112.8S107 K108 Q113 N114S107-S110 PolarHBondContact N-OG 3.44Å; S107-S110 WeakPolarHBondContact O-CA 3.26Å; S107-S110 WeakPolarHBondContact O-CB 3.27Å; S107-S110 PolarHBondContact O-N 2.95Å; S107-S110 PolarHBondContact O-OG 2.87Å; K108-S110 VanDerWaalsContact C-N 3.35Å; K108-S110 PolarHBondContact O-N 3.5Å; S110-Q113 PolarHBondContact O-N 3.29Å; S110-N114 WeakPolarHBondContact O-CB 3.4Å; S110-N114 PolarHBondContact O-N 3.43Å; S110-N114 PolarHBondContact O-ND2 3.35Å
111I77.3Confident80.6Confident117 Ų11796.2 Ų96.260%0.646%0.46SS*.Hα-helixtrans-66.4-50.4177-63.4169.3000110.3S107 K108 R109 Q113 N114 Y115S107-I111 PolarHBondContact O-N 3.5Å; K108-I111 PolarHBondContact O-N 3.01Å; R109-I111 VanDerWaalsContact C-N 3.35Å; I111-Q113 VanDerWaalsContact C-N 3.31Å; I111-Q113 PolarHBondContact O-N 2.93Å; I111-N114 WeakPolarHBondContact O-CB 3.43Å; I111-N114 PolarHBondContact O-N 3.25Å; I111-Y115 PolarHBondContact O-N 3.41Å
112I77.6Confident80.7Confident85 Ų8598.7 Ų98.744%0.43647%0.468SS..Hα-helixtrans-60.2-42.7175.7-62.8167.8000110.5N114 Y115 I116I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 2.89Å; I112-Y115 PolarHBondContact O-N 3Å; I112-I116 HydrophobicContact CG2-CD1 4.13Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.41Å; I112-I116 VanDerWaalsContact O-N 3.11Å
113Q81.1Confident80.8Confident70 Ų70102 Ų10233%0.32746%0.462SS..Hα-helixtrans-62.9-40.6177.2-168.761.749.500112.1R109 S110 I111 Y115 I116 D117R109-Q113 PolarHBondContact O-N 3.43Å; S110-Q113 PolarHBondContact O-N 3.29Å; I111-Q113 VanDerWaalsContact C-N 3.31Å; I111-Q113 PolarHBondContact O-N 2.93Å; Q113-Y115 VanDerWaalsContact C-N 3.34Å; Q113-Y115 PolarHBondContact O-N 2.98Å; Q113-I116 PolarHBondContact O-N 3.04Å; Q113-D117 PolarHBondContact NE2-OD1 2.84Å; Q113-D117 WeakPolarHBondContact O-CB 3.49Å; Q113-D117 PolarHBondContact O-N 2.93Å
114N80.3Confident80.9Confident55 Ų5596.7 Ų96.729%0.29444%0.442SS..Hα-helixtrans-63.2-39.3176.9-74.6-23.5000112S110 I111 I112 D117 N118S110-N114 WeakPolarHBondContact O-CB 3.4Å; S110-N114 PolarHBondContact O-N 3.43Å; S110-N114 PolarHBondContact O-ND2 3.35Å; I111-N114 WeakPolarHBondContact O-CB 3.43Å; I111-N114 PolarHBondContact O-N 3.25Å; I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 2.89Å; N114-D117 PolarHBondContact O-N 3.24Å; N114-N118 VanDerWaalsContact O-CB 3.31Å; N114-N118 WeakPolarHBondContact O-CB 3.45Å; N114-N118 PolarHBondContact O-N 3.06Å; N114-N118 PolarHBondContact O-ND2 3.48Å; N114-N118 VanDerWaalsContact O-ND2 3.12Å
115Y79.6Confident81.2Confident73 Ų7394 Ų9429%0.28643%0.432SS..Hα-helixtrans-60.8-50.5174.4174.5-93.6000111.8I111 I112 Q113 D117 N118 R119 N212I111-Y115 PolarHBondContact O-N 3.41Å; I112-Y115 PolarHBondContact O-N 3Å; Q113-Y115 VanDerWaalsContact C-N 3.34Å; Q113-Y115 PolarHBondContact O-N 2.98Å; Y115-D117 VanDerWaalsContact C-N 3.33Å; Y115-D117 PolarHBondContact O-N 2.96Å; Y115-N118 PolarHBondContact O-N 3.21Å; Y115-R119 PolarHBondContact O-N 3.21Å; Y115-N212 HydrophobicContact CE2-CB 4.42Å
116I81.3Confident81.5Confident61 Ų6190.9 Ų90.931%0.31341%0.409SS..Hα-helixtrans-60-45.4177.4-64.8168.7000110.7I112 Q113 N118 R119 R120I112-I116 HydrophobicContact CG2-CD1 4.13Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.41Å; I112-I116 VanDerWaalsContact O-N 3.11Å; Q113-I116 PolarHBondContact O-N 3.04Å; I116-N118 VanDerWaalsContact C-N 3.35Å; I116-N118 PolarHBondContact O-N 3.46Å; I116-R119 PolarHBondContact O-N 2.99Å; I116-R120 WeakPolarHBondContact O-CG 3.03Å; I116-R120 PolarHBondContact O-N 2.96Å
117D82.5Confident82.1Confident6 Ų685.1 Ų85.13%0.03239%0.391CS..Hα-helixtrans-63.1-39.3-179.9-78.8-3.1000111.3H97 K101 R104 Q113 N114 Y115 L121H97-D117 IonicContact NE2-OD1 3.96Å; H97-D117 IonicContact NE2-OD2 3.51Å; K101-D117 VanDerWaalsContact CE-CB 3.44Å; R104-D117 IonicContact CZ-OD2 3.82Å; R104-D117 IonicContact NH1-OD2 2.91Å; R104-D117 PolarHBondContact NH1-OD2 2.83Å; R104-D117 IonicContact NH2-OD2 3.84Å; Q113-D117 PolarHBondContact NE2-OD1 2.84Å; Q113-D117 WeakPolarHBondContact O-CB 3.49Å; Q113-D117 PolarHBondContact O-N 2.93Å; N114-D117 PolarHBondContact O-N 3.24Å; Y115-D117 VanDerWaalsContact C-N 3.33Å; Y115-D117 PolarHBondContact O-N 2.96Å; D117-L121 WeakPolarHBondContact O-CB 3.18Å; D117-L121 PolarHBondContact O-N 2.7Å
118N81.9Confident82.5Confident83 Ų8382.7 Ų82.744%0.44437%0.373SS..Hα-helixtrans-69.6-38.4174.9-70.8-22.8000112.1K101 N114 Y115 I116 L121 R122K101-N118 PolarHBondContact NZ-OD1 3.05Å; N114-N118 VanDerWaalsContact O-CB 3.31Å; N114-N118 WeakPolarHBondContact O-CB 3.45Å; N114-N118 PolarHBondContact O-N 3.06Å; N114-N118 PolarHBondContact O-ND2 3.48Å; N114-N118 VanDerWaalsContact O-ND2 3.12Å; Y115-N118 PolarHBondContact O-N 3.21Å; I116-N118 VanDerWaalsContact C-N 3.35Å; I116-N118 PolarHBondContact O-N 3.46Å; N118-L121 PolarHBondContact O-N 3.22Å; N118-R122 WeakPolarHBondContact O-CB 3.37Å; N118-R122 PolarHBondContact O-N 3.19Å
119R81.7Confident83.4Confident108 Ų10873.8 Ų73.841%0.40834%0.335SS..Hα-helixtrans-63.1-41.5174.2-173.3175.3-175.5-178.22.6111.7Y115 I116 R123Y115-R119 PolarHBondContact O-N 3.21Å; I116-R119 PolarHBondContact O-N 2.99Å; R119-R123 PolarHBondContact O-N 3.39Å
120R85.9Confident84.2Confident133 Ų13368.1 Ų68.150%0.50232%0.318SS..Hα-helixtrans-63.3-46.1173.9-72.3175-175.1175.8-0.4111.7I116 R122 R123 L124I116-R120 WeakPolarHBondContact O-CG 3.03Å; I116-R120 PolarHBondContact O-N 2.96Å; R120-R122 VanDerWaalsContact C-N 3.32Å; R120-R122 PolarHBondContact O-N 2.99Å; R120-R123 PolarHBondContact O-N 2.97Å; R120-L124 WeakPolarHBondContact O-CG 3.21Å; R120-L124 PolarHBondContact O-N 3.06Å
121L86.2Confident84.9Confident28 Ų2871.9 Ų71.915%0.14733%0.333CS..Hα-helixtrans-61.2-41.7179.4-159.571.9000111.7F90 Y93 A94 D117 N118 L124 Y125F90-L121 HydrophobicContact CE2-CD1 4.38Å; F90-L121 HydrophobicContact CE2-CG 4.4Å; Y93-L121 HydrophobicContact CD1-CD1 3.67Å; Y93-L121 HydrophobicContact CE1-CD1 3.63Å; A94-L121 HydrophobicContact CB-CD1 4.02Å; A94-L121 HydrophobicContact CB-CD2 4.45Å; D117-L121 WeakPolarHBondContact O-CB 3.18Å; D117-L121 PolarHBondContact O-N 2.7Å; N118-L121 PolarHBondContact O-N 3.22Å; L121-L124 PolarHBondContact O-N 3.26Å; L121-Y125 WeakPolarHBondContact O-CB 3.41Å; L121-Y125 PolarHBondContact O-N 3.49Å
122R83.4Confident85.7Confident84 Ų8467.4 Ų67.432%0.31731%0.308SS..Hα-helixtrans-63-43.2174.1-175.6173.466.8-111.110112.3N118 R120 Y125 I126 W205N118-R122 WeakPolarHBondContact O-CB 3.37Å; N118-R122 PolarHBondContact O-N 3.19Å; R120-R122 VanDerWaalsContact C-N 3.32Å; R120-R122 PolarHBondContact O-N 2.99Å; R122-Y125 WeakPolarHBondContact O-CB 3.36Å; R122-Y125 PolarHBondContact O-N 3.33Å; R122-I126 HydrophobicContact CG-CD1 4.33Å; R122-I126 WeakPolarHBondContact O-CG1 3.46Å; R122-I126 PolarHBondContact O-N 3.17Å; R122-W205 VanDerWaalsContact NE-CD1 3.3Å
123R85.8Confident86.4Confident156 Ų15664.4 Ų64.459%0.58929%0.293SS*.Hα-helixtrans-61.8-45.3176.4-171.2-174.4-63.7174-2.3111.6R119 R120 Y125 I126 V127R119-R123 PolarHBondContact O-N 3.39Å; R120-R123 PolarHBondContact O-N 2.97Å; R123-Y125 VanDerWaalsContact C-N 3.31Å; R123-Y125 PolarHBondContact O-N 3.44Å; R123-I126 PolarHBondContact O-N 2.86Å; R123-V127 WeakPolarHBondContact O-CG2 3.1Å; R123-V127 PolarHBondContact O-N 3.42Å
124L88.4Confident87.1Confident75 Ų7564.1 Ų64.139%0.39330%0.303SS..Hα-helixtrans-62.2-38.9176.5-70.9171.7000111.9F90 Y93 R120 L121 V127 N128F90-L124 HydrophobicContact CD2-CB 4.39Å; F90-L124 HydrophobicContact CE2-CB 4.49Å; Y93-L124 HydrophobicContact CD1-CD1 3.86Å; Y93-L124 HydrophobicContact CE1-CD1 3.41Å; Y93-L124 VanDerWaalsContact CE1-CD1 3.41Å; R120-L124 WeakPolarHBondContact O-CG 3.21Å; R120-L124 PolarHBondContact O-N 3.06Å; L121-L124 PolarHBondContact O-N 3.26Å; L124-V127 PolarHBondContact O-N 2.87Å; L124-N128 WeakPolarHBondContact O-CB 3.44Å; L124-N128 PolarHBondContact O-N 3.35Å
125Y86.5Confident87.9Confident22 Ų2262 Ų629%0.08629%0.292CS..Hα-helixtrans-60.6-46.9173.8171.3-105.7000112.1R21 F90 L121 R122 R123 V127 N128 V129 E197R21-Y125 PolarHBondContact NE-OH 2.87Å; R21-Y125 VanDerWaalsContact NH2-CZ 3.29Å; R21-Y125 PolarHBondContact NH2-OH 3.13Å; F90-Y125 AromaticContact CE1-CD2 3.97Å; F90-Y125 HydrophobicContact CE1-CD2 3.97Å; F90-Y125 AromaticContact CZ-CD2 3.91Å; F90-Y125 HydrophobicContact CZ-CD2 3.91Å; F90-Y125 HydrophobicContact CZ-CG 4.22Å; L121-Y125 WeakPolarHBondContact O-CB 3.41Å; L121-Y125 PolarHBondContact O-N 3.49Å; R122-Y125 WeakPolarHBondContact O-CB 3.36Å; R122-Y125 PolarHBondContact O-N 3.33Å; R123-Y125 VanDerWaalsContact C-N 3.31Å; R123-Y125 PolarHBondContact O-N 3.44Å; Y125-V127 PolarHBondContact O-N 3.41Å; Y125-N128 WeakPolarHBondContact O-CB 3.25Å; Y125-N128 PolarHBondContact O-N 2.87Å; Y125-V129 HydrophobicContact CD2-CG2 4.16Å; Y125-V129 HydrophobicContact CE1-CG2 4.25Å; Y125-V129 HydrophobicContact CE2-CG2 3.75Å; Y125-V129 WeakPolarHBondContact O-CG2 3.17Å; Y125-V129 PolarHBondContact O-N 3.04Å; Y125-E197 VanDerWaalsContact OH-CD 3.27Å; Y125-E197 PolarHBondContact OH-OE1 2.9Å
126I87.8Confident88.6Confident48 Ų4858.7 Ų58.725%0.24628%0.28CS..Hα-helixtrans-61.2-45.7177.6-66.5166.7000110.5R122 R123 N128 V129 M130 L198R122-I126 HydrophobicContact CG-CD1 4.33Å; R122-I126 WeakPolarHBondContact O-CG1 3.46Å; R122-I126 PolarHBondContact O-N 3.17Å; R123-I126 PolarHBondContact O-N 2.86Å; I126-N128 VanDerWaalsContact C-N 3.32Å; I126-N128 PolarHBondContact O-N 3.4Å; I126-V129 PolarHBondContact O-N 3.46Å; I126-M130 HydrophobicContact CG2-CG 4.27Å; I126-M130 WeakPolarHBondContact O-CB 3.32Å; I126-M130 VanDerWaalsContact O-CG 3.27Å; I126-M130 WeakPolarHBondContact O-CG 3.43Å; I126-M130 PolarHBondContact O-N 3.46Å; I126-L198 HydrophobicContact CG2-CD1 4.21Å
127V90.5Very high89.3Confident92 Ų9259.1 Ų59.156%0.55829%0.285SS*.Hα-helixtrans-60.7-41.9177.1172.90000111.4R123 L124 Y125 M130 F131R123-V127 WeakPolarHBondContact O-CG2 3.1Å; R123-V127 PolarHBondContact O-N 3.42Å; L124-V127 PolarHBondContact O-N 2.87Å; Y125-V127 PolarHBondContact O-N 3.41Å; V127-M130 PolarHBondContact O-N 3.41Å; V127-F131 WeakPolarHBondContact O-CB 3.44Å; V127-F131 PolarHBondContact O-N 2.94Å
128N90.2Very high90Very high16 Ų1660.8 Ų60.89%0.08630%0.304CS..Hα-helixtrans-60.3-48.9175.217450.9000112.1P86 S87 F90 L124 Y125 I126 M130 F131 R132P86-N128 WeakPolarHBondContact CB-OD1 3.29Å; P86-N128 PolarHBondContact O-OD1 2.93Å; S87-N128 PolarHBondContact N-OD1 3.23Å; F90-N128 HydrophobicContact CB-CB 4.46Å; L124-N128 WeakPolarHBondContact O-CB 3.44Å; L124-N128 PolarHBondContact O-N 3.35Å; Y125-N128 WeakPolarHBondContact O-CB 3.25Å; Y125-N128 PolarHBondContact O-N 2.87Å; I126-N128 VanDerWaalsContact C-N 3.32Å; I126-N128 PolarHBondContact O-N 3.4Å; N128-M130 PolarHBondContact O-N 2.95Å; N128-F131 PolarHBondContact O-N 2.84Å; N128-R132 PolarHBondContact O-N 3.05Å
129V89.4Confident90.6Very high1 Ų158.5 Ų58.51%0.00629%0.29CS..Hα-helixtrans-64-41.4178.6174.10000111.2Y125 I126 F131 R132 I133 L198Y125-V129 HydrophobicContact CD2-CG2 4.16Å; Y125-V129 HydrophobicContact CE1-CG2 4.25Å; Y125-V129 HydrophobicContact CE2-CG2 3.75Å; Y125-V129 WeakPolarHBondContact O-CG2 3.17Å; Y125-V129 PolarHBondContact O-N 3.04Å; I126-V129 PolarHBondContact O-N 3.46Å; V129-F131 PolarHBondContact O-N 3.36Å; V129-R132 WeakPolarHBondContact O-CB 3.27Å; V129-R132 PolarHBondContact O-N 3.34Å; V129-I133 HydrophobicContact CG1-CD1 3.97Å; V129-I133 WeakPolarHBondContact O-CG1 3.48Å; V129-I133 PolarHBondContact O-N 3.17Å; V129-L198 HydrophobicContact CG1-CB 4.12Å; V129-L198 HydrophobicContact CG1-CD1 4.26Å
130M91.9Very high91.3Very high96 Ų9654.5 Ų54.547%0.47328%0.276SS..Hα-helixtrans-60.6-45.4175.6-76.2-60.9-61.100112.3I126 V127 N128 R132 I133 A134 L198I126-M130 HydrophobicContact CG2-CG 4.27Å; I126-M130 WeakPolarHBondContact O-CB 3.32Å; I126-M130 VanDerWaalsContact O-CG 3.27Å; I126-M130 WeakPolarHBondContact O-CG 3.43Å; I126-M130 PolarHBondContact O-N 3.46Å; V127-M130 PolarHBondContact O-N 3.41Å; N128-M130 PolarHBondContact O-N 2.95Å; M130-R132 VanDerWaalsContact C-N 3.3Å; M130-R132 PolarHBondContact O-N 2.93Å; M130-I133 PolarHBondContact O-N 3.42Å; M130-A134 WeakPolarHBondContact O-CB 3.21Å; M130-A134 PolarHBondContact O-N 3.1Å; M130-L198 HydrophobicContact CG-CD1 4.39Å; M130-L198 HydrophobicContact SD-CD1 4.1Å; M130-L198 HydrophobicContact SD-CD2 3.27Å; M130-L198 WeakPolarHBondContact SD-CD2 3.47Å; M130-L198 HydrophobicContact SD-CG 4.33Å
131F94.1Very high91.7Very high101 Ų10152.1 Ų52.144%0.44328%0.276SS..Hα-helixtrans-62-40.1175.9-179.7-86.3000111.3L82 P86 V127 N128 V129 A134 A135L82-F131 HydrophobicContact CD2-CE1 3.58Å; L82-F131 HydrophobicContact CD2-CZ 3.71Å; L82-F131 HydrophobicContact CG-CE1 4.12Å; L82-F131 HydrophobicContact CG-CZ 4.06Å; L82-F131 WeakPolarHBondContact O-CE1 3.19Å; P86-F131 HydrophobicContact CB-CD1 3.99Å; P86-F131 HydrophobicContact CB-CE1 4.32Å; P86-F131 HydrophobicContact CG-CD1 3.61Å; P86-F131 HydrophobicContact CG-CE1 3.84Å; V127-F131 WeakPolarHBondContact O-CB 3.44Å; V127-F131 PolarHBondContact O-N 2.94Å; N128-F131 PolarHBondContact O-N 2.84Å; V129-F131 PolarHBondContact O-N 3.36Å; F131-A134 PolarHBondContact O-N 2.98Å; F131-A135 WeakPolarHBondContact O-CB 3.34Å; F131-A135 PolarHBondContact O-N 3.42Å
132R92.8Very high92Very high23 Ų2351.8 Ų51.89%0.08728%0.28CS..Hα-helixtrans-60.9-46174.5-169.9-178.376.2-142.8-3.7112.1I83 N128 V129 M130 A135 E136 S194 E197I83-R132 HydrophobicContact CB-CG 4.32Å; I83-R132 HydrophobicContact CG2-CG 4.36Å; N128-R132 PolarHBondContact O-N 3.05Å; V129-R132 WeakPolarHBondContact O-CB 3.27Å; V129-R132 PolarHBondContact O-N 3.34Å; M130-R132 VanDerWaalsContact C-N 3.3Å; M130-R132 PolarHBondContact O-N 2.93Å; R132-A135 WeakPolarHBondContact O-CB 3.3Å; R132-A135 PolarHBondContact O-N 3.42Å; R132-E136 WeakPolarHBondContact O-CG 3.26Å; R132-E136 PolarHBondContact O-N 3.33Å; R132-S194 PolarHBondContact NE-OG 2.62Å; R132-S194 VanDerWaalsContact NH2-CB 3.28Å; R132-S194 PolarHBondContact NH2-OG 3.4Å; R132-E197 IonicContact CZ-OE2 3.73Å; R132-E197 IonicContact NH1-OE2 3.79Å; R132-E197 IonicContact NH2-OE2 2.68Å; R132-E197 PolarHBondContact NH2-OE2 3.03Å
133I93.6Very high92.5Very high21 Ų2148.1 Ų48.111%0.10827%0.267CS..Hα-helixtrans-62.7-45.7177.7-67.7164.5000110.5V129 M130 A135 E136 V137 L198V129-I133 HydrophobicContact CG1-CD1 3.97Å; V129-I133 WeakPolarHBondContact O-CG1 3.48Å; V129-I133 PolarHBondContact O-N 3.17Å; M130-I133 PolarHBondContact O-N 3.42Å; I133-A135 VanDerWaalsContact C-N 3.28Å; I133-A135 PolarHBondContact O-N 3.19Å; I133-E136 PolarHBondContact O-N 2.98Å; I133-V137 HydrophobicContact CG2-CG2 4.22Å; I133-V137 WeakPolarHBondContact O-CB 3.49Å; I133-V137 WeakPolarHBondContact O-CG2 3.43Å; I133-V137 PolarHBondContact O-N 2.97Å; I133-L198 HydrophobicContact CD1-CB 4.04Å; I133-L198 HydrophobicContact CD1-CD2 3.77Å; I133-L198 HydrophobicContact CD1-CG 4.49Å
134A95.8Very high92.7Very high65 Ų6543.1 Ų43.154%0.53726%0.255SS..Hα-helixtrans-60.5-40177.900000111.8M130 F131 G138M130-A134 WeakPolarHBondContact O-CB 3.21Å; M130-A134 PolarHBondContact O-N 3.1Å; F131-A134 PolarHBondContact O-N 2.98Å; A134-G138 WeakPolarHBondContact O-CA 3.39Å; A134-G138 PolarHBondContact O-N 2.93Å
135A95.7Very high92.8Very high9 Ų948.1 Ų48.17%0.07427%0.273CS..Hα-helixtrans-60.7-56.4172.400000111.8L82 I83 F131 R132 I133 V137 G138 F139L82-A135 HydrophobicContact CD2-CB 3.12Å; I83-A135 HydrophobicContact CG2-CB 3.9Å; F131-A135 WeakPolarHBondContact O-CB 3.34Å; F131-A135 PolarHBondContact O-N 3.42Å; R132-A135 WeakPolarHBondContact O-CB 3.3Å; R132-A135 PolarHBondContact O-N 3.42Å; I133-A135 VanDerWaalsContact C-N 3.28Å; I133-A135 PolarHBondContact O-N 3.19Å; A135-V137 PolarHBondContact O-N 2.93Å; A135-G138 PolarHBondContact O-N 3.18Å; A135-G138 VanDerWaalsContact O-N 3.13Å; A135-F139 VanDerWaalsContact O-CD2 3.29Å; A135-F139 WeakPolarHBondContact O-CD2 3.44Å; A135-F139 PolarHBondContact O-N 3.31Å
136E95.6Very high92.9Very high5 Ų551.3 Ų51.32%0.02329%0.292CS..Hα-helixtrans-58.6-46.2-177.6-71.8-168150.900111.8R31 I83 R132 I133 F139 L140 S190 A191 S194R31-E136 IonicContact CZ-OE1 3.7Å; R31-E136 IonicContact NH1-OE1 3.96Å; R31-E136 PolarHBondContact NH1-OE1 3.01Å; R31-E136 IonicContact NH2-OE1 3.62Å; I83-E136 HydrophobicContact CG2-CG 4.07Å; R132-E136 WeakPolarHBondContact O-CG 3.26Å; R132-E136 PolarHBondContact O-N 3.33Å; I133-E136 PolarHBondContact O-N 2.98Å; E136-F139 PolarHBondContact O-N 2.95Å; E136-L140 WeakPolarHBondContact O-CB 3.42Å; E136-L140 VanDerWaalsContact O-CG 3.25Å; E136-L140 WeakPolarHBondContact O-CG 3.42Å; E136-L140 PolarHBondContact O-N 3.28Å; E136-S190 WeakPolarHBondContact OE1-CB 3.34Å; E136-S190 PolarHBondContact OE1-OG 3.36Å; E136-S190 VanDerWaalsContact OE2-C 3.22Å; E136-S190 PolarHBondContact OE2-OG 3.04Å; E136-A191 HydrophobicContact CB-CB 4.35Å; E136-A191 VanDerWaalsContact OE2-CA 3.25Å; E136-A191 WeakPolarHBondContact OE2-CA 3.41Å; E136-A191 PolarHBondContact OE2-N 3.27Å; E136-S194 PolarHBondContact OE2-OG 3.02Å
137V96.4Very high92.7Very high69 Ų6950.1 Ų50.142%0.41828%0.284SS..Hα-helixtrans-64.5-42.5176.4174.90000111.1I133 A135 F139 L140 V141I133-V137 HydrophobicContact CG2-CG2 4.22Å; I133-V137 WeakPolarHBondContact O-CB 3.49Å; I133-V137 WeakPolarHBondContact O-CG2 3.43Å; I133-V137 PolarHBondContact O-N 2.97Å; A135-V137 PolarHBondContact O-N 2.93Å; V137-F139 PolarHBondContact O-N 3.24Å; V137-L140 PolarHBondContact O-N 3.18Å; V137-V141 HydrophobicContact CG1-CG2 4.36Å; V137-V141 VanDerWaalsContact O-CG2 3.32Å; V137-V141 WeakPolarHBondContact O-CG2 3.32Å; V137-V141 PolarHBondContact O-N 3.46Å
138G96.1Very high92.2Very high42 Ų4249.3 Ų49.343%0.43328%0.282SS..Hα-helixtrans-60-44.5177.700000112.7A134 A135 V141 G142A134-G138 WeakPolarHBondContact O-CA 3.39Å; A134-G138 PolarHBondContact O-N 2.93Å; A135-G138 PolarHBondContact O-N 3.18Å; A135-G138 VanDerWaalsContact O-N 3.13Å; G138-V141 PolarHBondContact O-N 3.46Å; G138-G142 PolarHBondContact O-N 3.3Å
139F95.5Very high91.7Very high34 Ų3452.3 Ų52.315%0.14930%0.295CS..Hα-helixtrans-71-35.8176.4-82.7-88000112.5F75 F78 H79 L82 A135 E136 V137 G142 Q143F75-F139 HydrophobicContact CD1-CD1 4.5Å; F75-F139 HydrophobicContact CD2-CD1 4.11Å; F75-F139 HydrophobicContact CD2-CE1 4.12Å; F75-F139 AromaticContact CE1-CD1 3.94Å; F75-F139 HydrophobicContact CE1-CD1 3.94Å; F75-F139 AromaticContact CE2-CD1 3.54Å; F75-F139 HydrophobicContact CE2-CD1 3.54Å; F75-F139 AromaticContact CE2-CE1 3.88Å; F75-F139 HydrophobicContact CE2-CE1 3.88Å; F75-F139 HydrophobicContact CZ-CB 4.24Å; F75-F139 AromaticContact CZ-CD1 3.44Å; F75-F139 HydrophobicContact CZ-CD1 3.44Å; F75-F139 VanDerWaalsContact CZ-CD1 3.44Å; F75-F139 HydrophobicContact CZ-CE1 4.24Å; F75-F139 HydrophobicContact CZ-CG 4.26Å; F75-F139 WeakPolarHBondContact CZ-O 3.18Å; F75-F139 WeakPolarHBondContact O-CE1 3.47Å; F78-F139 HydrophobicContact CB-CE1 4.23Å; F78-F139 HydrophobicContact CB-CZ 4.18Å; H79-F139 HydrophobicContact CB-CB 4.37Å; H79-F139 HydrophobicContact CB-CD1 3.51Å; H79-F139 HydrophobicContact CB-CD2 4.09Å; H79-F139 HydrophobicContact CB-CE1 3.7Å; H79-F139 HydrophobicContact CB-CE2 4.26Å; H79-F139 HydrophobicContact CB-CG 3.73Å; H79-F139 HydrophobicContact CB-CZ 4.08Å; H79-F139 AromaticContact CD2-CD2 3.45Å; H79-F139 VanDerWaalsContact CD2-CD2 3.45Å; H79-F139 WeakPolarHBondContact CD2-CD2 3.33Å; H79-F139 AromaticContact CD2-CG 3.55Å; H79-F139 AromaticContact CG-CD1 3.96Å; H79-F139 AromaticContact CG-CD2 3.96Å; H79-F139 AromaticContact CG-CG 3.66Å; L82-F139 HydrophobicContact CB-CE2 4.25Å; L82-F139 HydrophobicContact CD1-CE2 4.21Å; L82-F139 HydrophobicContact CD2-CE2 4.36Å; A135-F139 VanDerWaalsContact O-CD2 3.29Å; A135-F139 WeakPolarHBondContact O-CD2 3.44Å; A135-F139 PolarHBondContact O-N 3.31Å; E136-F139 PolarHBondContact O-N 2.95Å; V137-F139 PolarHBondContact O-N 3.24Å; F139-G142 PolarHBondContact O-N 2.91Å; F139-Q143 WeakPolarHBondContact O-CB 3.36Å; F139-Q143 PolarHBondContact O-N 2.93Å
140L94.9Very high91.6Very high24 Ų2458.4 Ų58.413%0.12632%0.323CS..Hα-helixtrans-61-47172.1-76.1169.4000111.6E136 V137 G142 Q143 C144 F184 V188 A191E136-L140 WeakPolarHBondContact O-CB 3.42Å; E136-L140 VanDerWaalsContact O-CG 3.25Å; E136-L140 WeakPolarHBondContact O-CG 3.42Å; E136-L140 PolarHBondContact O-N 3.28Å; V137-L140 PolarHBondContact O-N 3.18Å; L140-G142 VanDerWaalsContact C-N 3.35Å; L140-Q143 PolarHBondContact O-N 2.8Å; L140-C144 PolarHBondContact O-N 3.41Å; L140-C144 VanDerWaalsContact O-N 3.14Å; L140-C144 PolarHBondContact O-SG 2.94Å; L140-F184 HydrophobicContact CB-CE2 4.42Å; L140-F184 HydrophobicContact CD2-CD2 3.58Å; L140-F184 HydrophobicContact CD2-CE2 3.52Å; L140-F184 HydrophobicContact CD2-CG 4.3Å; L140-F184 HydrophobicContact CD2-CZ 4.2Å; L140-V188 HydrophobicContact CD1-CG2 4.42Å; L140-V188 HydrophobicContact CD2-CG2 4.24Å; L140-A191 HydrophobicContact CD1-CB 4.13Å
141V94.9Very high91.4Very high83 Ų8354.1 Ų54.150%0.50330%0.302SS..Hα-helixtrans-64.1-42.3175.8172.60000110.9V137 G138 Q143 C144 K145V137-V141 HydrophobicContact CG1-CG2 4.36Å; V137-V141 VanDerWaalsContact O-CG2 3.32Å; V137-V141 WeakPolarHBondContact O-CG2 3.32Å; V137-V141 PolarHBondContact O-N 3.46Å; G138-V141 PolarHBondContact O-N 3.46Å; V141-Q143 VanDerWaalsContact C-N 3.32Å; V141-Q143 PolarHBondContact O-N 3.18Å; V141-C144 PolarHBondContact O-N 3.42Å; V141-K145 HydrophobicContact CG1-CG 4.5Å; V141-K145 WeakPolarHBondContact O-CG 3.41Å; V141-K145 PolarHBondContact O-N 3.28Å
142G93.4Very high91.2Very high22 Ų2252.4 Ų52.423%0.22730%0.302CS..Hα-helixtrans-57.1-44.5175.400000112G138 F139 L140 K145 L146G138-G142 PolarHBondContact O-N 3.3Å; F139-G142 PolarHBondContact O-N 2.91Å; L140-G142 VanDerWaalsContact C-N 3.35Å; G142-K145 PolarHBondContact O-N 2.53Å; G142-L146 WeakPolarHBondContact O-CB 3.43Å; G142-L146 PolarHBondContact O-N 3.47Å
143Q92.6Very high91.1Very high7 Ų754.1 Ų54.13%0.03332%0.32CS..Hα-helixtrans-62.1-45.7177.4-172.5170.6-22.100112F75 F139 L140 V141 K145 Y147 L180F75-Q143 HydrophobicContact CE1-CB 4.02Å; F75-Q143 HydrophobicContact CZ-CB 4.42Å; F139-Q143 WeakPolarHBondContact O-CB 3.36Å; F139-Q143 PolarHBondContact O-N 2.93Å; L140-Q143 PolarHBondContact O-N 2.8Å; V141-Q143 VanDerWaalsContact C-N 3.32Å; V141-Q143 PolarHBondContact O-N 3.18Å; Q143-K145 PolarHBondContact O-N 2.94Å; Q143-Y147 PolarHBondContact O-N 3.34Å; Q143-Y147 VanDerWaalsContact O-N 3.14Å; Q143-L180 VanDerWaalsContact NE2-CD2 3.27Å; Q143-L180 VanDerWaalsContact NE2-CG 3.34Å; Q143-L180 PolarHBondContact NE2-O 3.43Å
144C90.5Very high91.1Very high51 Ų5157.6 Ų57.635%0.34534%0.336SS..Hα-helixtrans-60.9-31.9176.8-650000113.1L140 V141 F149L140-C144 PolarHBondContact O-N 3.41Å; L140-C144 VanDerWaalsContact O-N 3.14Å; L140-C144 PolarHBondContact O-SG 2.94Å; V141-C144 PolarHBondContact O-N 3.42Å; C144-F149 WeakPolarHBondContact SG-CZ 3.39Å
145K90.7Very high91.1Very high180 Ų18057 Ų5778%0.78332%0.321SS*.Hα-helixtrans-89.6-34.3-177.5-73.5-67.9-173.8-178.90113.6V141 G142 Q143V141-K145 HydrophobicContact CG1-CG 4.5Å; V141-K145 WeakPolarHBondContact O-CG 3.41Å; V141-K145 PolarHBondContact O-N 3.28Å; G142-K145 PolarHBondContact O-N 2.53Å; Q143-K145 PolarHBondContact O-N 2.94Å
146L89.6Confident91.1Very high89 Ų8960.2 Ų60.247%0.46634%0.341SS..Hα-helixtrans-95.4-36.4-169.2-166.464.2000113.3I70 G142I70-L146 HydrophobicContact CG2-CD2 3.59Å; G142-L146 WeakPolarHBondContact O-CB 3.43Å; G142-L146 PolarHBondContact O-N 3.47Å
147Y83.4Confident91.1Very high22 Ų2260 Ų609%0.08634%0.34CS..THydrogen-bonded Turntrans-113.4-9.2-169.4-65.3-66.2000114.8I70 S71 Q72 F75 Q143I70-Y147 WeakPolarHBondContact CG2-OH 3.13Å; I70-Y147 WeakPolarHBondContact O-CE1 3.44Å; I70-Y147 PolarHBondContact O-OH 3.23Å; S71-Y147 PolarHBondContact O-OH 3.47Å; Q72-Y147 HydrophobicContact CG-CD1 3.74Å; Q72-Y147 HydrophobicContact CG-CD2 4.38Å; Q72-Y147 HydrophobicContact CG-CE1 3.8Å; Q72-Y147 HydrophobicContact CG-CE2 4.43Å; Q72-Y147 HydrophobicContact CG-CG 4.03Å; F75-Y147 HydrophobicContact CB-CE2 3.93Å; F75-Y147 WeakPolarHBondContact CB-OH 3.33Å; F75-Y147 HydrophobicContact CD1-CD2 4.37Å; F75-Y147 AromaticContact CD1-CE2 3.71Å; F75-Y147 HydrophobicContact CD1-CE2 3.71Å; F75-Y147 HydrophobicContact CD2-CE2 4.15Å; F75-Y147 HydrophobicContact CE1-CE2 4.28Å; F75-Y147 AromaticContact CG-CE2 3.68Å; F75-Y147 HydrophobicContact CG-CE2 3.68Å; Q143-Y147 PolarHBondContact O-N 3.34Å; Q143-Y147 VanDerWaalsContact O-N 3.14Å
148S79.3Confident91.1Very high75 Ų7561.5 Ų61.552%0.52435%0.345SS..  trans52.6176.6-164.7-65.40000111.5E150S148-E150 VanDerWaalsContact C-N 3.32Å
149F79.5Confident91.1Very high79 Ų7964 Ų6435%0.34634%0.342SS..SBendtrans-87.3-3180-75.3-75.4000113.7C144 L180 Y181 F184C144-F149 WeakPolarHBondContact SG-CZ 3.39Å; F149-L180 HydrophobicContact CD1-CD2 4.33Å; F149-Y181 HydrophobicContact CB-CE1 3.74Å; F149-Y181 HydrophobicContact CD1-CD1 4.23Å; F149-Y181 AromaticContact CD1-CE1 3.79Å; F149-Y181 HydrophobicContact CD1-CE1 3.79Å; F149-Y181 HydrophobicContact CG-CE1 4.13Å; F149-Y181 PolarHBondContact O-OH 2.83Å; F149-F184 HydrophobicContact CE1-CD1 4.02Å; F149-F184 HydrophobicContact CE1-CD2 4.04Å; F149-F184 AromaticContact CE1-CE1 3.91Å; F149-F184 HydrophobicContact CE1-CE1 3.91Å; F149-F184 AromaticContact CE1-CE2 3.93Å; F149-F184 HydrophobicContact CE1-CE2 3.93Å; F149-F184 HydrophobicContact CE1-CG 4.08Å; F149-F184 AromaticContact CE1-CZ 3.87Å; F149-F184 HydrophobicContact CE1-CZ 3.87Å; F149-F184 HydrophobicContact CZ-CE1 4.25Å; F149-F184 HydrophobicContact CZ-CE2 4.13Å; F149-F184 AromaticContact CZ-CZ 3.9Å; F149-F184 HydrophobicContact CZ-CZ 3.9Å
150E87.3Confident91.1Very high129 Ų12971 Ų7160%0.60337%0.372SS*.SBendtrans-141.5132.1-172.9-175174.9173.800109.9S148 P152 T177S148-E150 VanDerWaalsContact C-N 3.32Å; E150-P152 WeakPolarHBondContact O-CD 3.47Å; E150-T177 HydrophobicContact CG-CG2 4.37Å
151V88.3Confident91.1Very high6 Ų671.2 Ų71.24%0.03638%0.375CS..  trans-90.3112.2174.4-178.60000108F68 A153 P173 K176 T177F68-V151 HydrophobicContact CE1-CG1 4.39Å; F68-V151 HydrophobicContact CZ-CG1 4.34Å; V151-A153 PolarHBondContact O-N 3.12Å; V151-P173 WeakPolarHBondContact O-CB 3.27Å; V151-K176 HydrophobicContact CG2-CB 4.18Å; V151-T177 PolarHBondContact N-OG1 3.04Å; V151-T177 VanDerWaalsContact N-OG1 3.09Å
152P89.1Confident91.2Very high66 Ų6668 Ų6843%0.42936%0.356SS..  trans-68.5135.4-176.729.1-34.8000110.4E150 Q154 T170E150-P152 WeakPolarHBondContact O-CD 3.47Å; P152-Q154 PolarHBondContact O-N 2.93Å; P152-T170 WeakPolarHBondContact O-CG2 3.25Å; P152-T170 PolarHBondContact O-OG1 3.36Å
153A91.5Very high91.2Very high58 Ų5870.6 Ų70.648%0.47937%0.369SS..SBendtrans-63.3-26.5178.400000113.2V151 F169 T170 P173V151-A153 PolarHBondContact O-N 3.12Å; A153-F169 WeakPolarHBondContact O-CA 3.31Å; A153-T170 PolarHBondContact O-N 3.38Å; A153-T170 VanDerWaalsContact O-N 3.13Å; A153-T170 PolarHBondContact O-OG1 3.48Å; A153-P173 HydrophobicContact CB-CB 4.28Å; A153-P173 HydrophobicContact CB-CG 3.81Å
154Q93.9Very high91.3Very high94 Ų9477.3 Ų77.344%0.43940%0.395SS..EExtended strand (participates in β ladder)trans-127.8132.9-179.4-179.3179.7-10.400110.1P152 D167 C168 F169P152-Q154 PolarHBondContact O-N 2.93Å; Q154-D167 HydrophobicContact CG-CB 4.36Å; Q154-D167 PolarHBondContact NE2-OD1 2.93Å; Q154-C168 CarbonylContact C-O 3.55Å; Q154-C168 WeakPolarHBondContact CA-O 3.49Å; Q154-F169 HydrophobicContact CB-CE1 4.48Å; Q154-F169 HydrophobicContact CG-CE1 4.31Å
155Y94.1Very high91.6Very high54 Ų5479.1 Ų79.121%0.21241%0.405CS..EExtended strand (participates in β ladder)trans-122.7109.7178.4-175-96000110.2K66 A67 C157 C168K66-Y155 WeakPolarHBondContact CG-OH 3.2Å; A67-Y155 HydrophobicContact CB-CD1 3.79Å; A67-Y155 HydrophobicContact CB-CD2 4.04Å; A67-Y155 HydrophobicContact CB-CE1 3.76Å; A67-Y155 HydrophobicContact CB-CE2 4.03Å; A67-Y155 HydrophobicContact CB-CG 3.92Å; Y155-C157 HydrophobicContact CD1-CB 4.17Å; Y155-C157 HydrophobicContact CE1-CB 4.13Å; Y155-C168 PolarHBondContact N-O 3.28Å; Y155-C168 PolarHBondContact O-N 3.48Å
156P95.9Very high91.8Very high76 Ų7670.7 Ų70.749%0.49437%0.368SS..EExtended strand (participates in β ladder)trans-74.5128.6175.429.5-32.6000110.3T165P156-T165 HydrophobicContact CB-CG2 4.03Å
157C96.9Very high92.2Very high0 Ų069.2 Ų69.20%036%0.361CS..EExtended strand (participates in β ladder)trans-129.9129.9-175.1-178.10000112.9C63 Y155 T165 V166C63-C157 WeakPolarHBondContact CA-SG 3.03Å; C63-C157 HydrophobicContact CB-CB 3.7Å; C63-C157 WeakPolarHBondContact CB-SG 3.25Å; C63-C157 WeakPolarHBondContact SG-CB 3.45Å; C63-C157 CovalentContact SG-SG 2.03Å; C63-C157 PolarHBondContact SG-SG 2.94Å; Y155-C157 HydrophobicContact CD1-CB 4.17Å; Y155-C157 HydrophobicContact CE1-CB 4.13Å; C157-T165 CarbonylContact O-C 3.53Å; C157-T165 WeakPolarHBondContact O-CA 3.46Å; C157-V166 HydrophobicContact CB-CG2 4.26Å; C157-V166 PolarHBondContact N-O 3.36Å; C157-V166 PolarHBondContact O-N 3.01Å
158D96.3Very high92.8Very high100 Ų10068.2 Ų68.254%0.53536%0.357SS..  trans-120.416.6-177.565-23000113.1K66K66-D158 IonicContact NZ-OD1 2.84Å; K66-D158 PolarHBondContact NZ-OD1 3.11Å
159R95.9Very high93.6Very high95 Ų9569.1 Ų69.136%0.35835%0.351SS..  trans-81.5138.4-172.9-163.2172.7-171.4-166.95111.5V62 D65 K66 C162V62-R159 HydrophobicContact CB-CG 4.31Å; V62-R159 HydrophobicContact CG2-CB 4.2Å; V62-R159 HydrophobicContact CG2-CG 4.37Å; V62-R159 WeakPolarHBondContact O-CD 3.34Å; V62-R159 PolarHBondContact O-NH1 3.49Å; D65-R159 IonicContact OD2-CZ 3.42Å; D65-R159 IonicContact OD2-NH1 3.54Å; D65-R159 PolarHBondContact OD2-NH1 3.07Å; D65-R159 IonicContact OD2-NH2 2.64Å; D65-R159 PolarHBondContact OD2-NH2 2.99Å; K66-R159 HydrophobicContact CD-CB 4.26Å; R159-C162 WeakPolarHBondContact O-CB 3.27Å; R159-C162 PolarHBondContact O-N 2.89Å; R159-C162 PolarHBondContact O-SG 2.99Å
160F94.9Very high94.2Very high181 Ų18166 Ų6679%0.79434%0.339SS*.THydrogen-bonded Turntrans-56.6133.1171.6-180-92.3000110.8V62V62-F160 WeakPolarHBondContact CG2-O 3.32Å
161P96.1Very high94.4Very high28 Ų2860.8 Ų60.818%0.18232%0.317CS..THydrogen-bonded Turncis-96.323.216.238.6-37.7000115.9Q56Q56-P161 VanDerWaalsContact CG-O 3.28Å; Q56-P161 WeakPolarHBondContact CG-O 3.46Å
162C96.2Very high94.6Very high16 Ų1665.1 Ų65.111%0.10833%0.333CS..  trans-67.2137179.6-530000111.6C59 C63 R159 V166C59-C162 VanDerWaalsContact CA-SG 3.58Å; C59-C162 HydrophobicContact CB-CB 4.14Å; C59-C162 WeakPolarHBondContact CB-SG 3.44Å; C59-C162 WeakPolarHBondContact SG-CB 3.39Å; C59-C162 CovalentContact SG-SG 2.03Å; C59-C162 PolarHBondContact SG-SG 3.19Å; C63-C162 PolarHBondContact SG-SG 3.27Å; R159-C162 WeakPolarHBondContact O-CB 3.27Å; R159-C162 PolarHBondContact O-N 2.89Å; R159-C162 PolarHBondContact O-SG 2.99Å; C162-V166 HydrophobicContact CB-CG2 4.42Å
163P93.8Very high94.8Very high77 Ų7763.3 Ų63.350%0.532%0.321SS..SBendtrans-74.6-24.9-173.228.4-35.2000114.1
164Y94.1Very high94.8Very high148 Ų14866.8 Ų66.858%0.5833%0.329SS*.SBendtrans-158.1-176.2178.446.5-98.1000108V166Y164-V166 HydrophobicContact CD2-CG1 3.94Å; Y164-V166 HydrophobicContact CE2-CG1 3.75Å; Y164-V166 PolarHBondContact O-N 2.95Å; Y164-V166 VanDerWaalsContact O-N 3.07Å
165T96.3Very high94.8Very high88 Ų8867.4 Ų67.454%0.5433%0.331SS..  trans-67.7105.5173.1-50.40000110P156 C157P156-T165 HydrophobicContact CB-CG2 4.03Å; C157-T165 CarbonylContact O-C 3.53Å; C157-T165 WeakPolarHBondContact O-CA 3.46Å
166V96.6Very high94.7Very high3 Ų365 Ų652%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-96147.7179.3-62.80000110.5C52 T54 C157 C162 Y164C52-V166 HydrophobicContact CB-CG2 4.43Å; T54-V166 HydrophobicContact CG2-CG1 4.14Å; T54-V166 HydrophobicContact CG2-CG2 4.49Å; C157-V166 HydrophobicContact CB-CG2 4.26Å; C157-V166 PolarHBondContact N-O 3.36Å; C157-V166 PolarHBondContact O-N 3.01Å; C162-V166 HydrophobicContact CB-CG2 4.42Å; Y164-V166 HydrophobicContact CD2-CG1 3.94Å; Y164-V166 HydrophobicContact CE2-CG1 3.75Å; Y164-V166 PolarHBondContact O-N 2.95Å; Y164-V166 VanDerWaalsContact O-N 3.07Å
167D96.4Very high94.6Very high59 Ų5962 Ų6232%0.31630%0.303SS..EExtended strand (participates in β ladder)trans-86.7123.1172.3-65.6-48000110.1C52 N53 Q154 F169C52-D167 WeakPolarHBondContact CA-O 3.25Å; N53-D167 PolarHBondContact N-O 2.79Å; Q154-D167 HydrophobicContact CG-CB 4.36Å; Q154-D167 PolarHBondContact NE2-OD1 2.93Å; D167-F169 HydrophobicContact CB-CE2 4.38Å; D167-F169 HydrophobicContact CB-CZ 4.27Å
168C96.3Very high94.5Very high0 Ų067.3 Ų67.30%033%0.33CS..EExtended strand (participates in β ladder)trans-110.3142.1172.2-56.60000110.8F50 S51 C52 Q154 Y155F50-C168 HydrophobicContact CE1-CB 3.8Å; F50-C168 HydrophobicContact CE2-CB 3.83Å; F50-C168 HydrophobicContact CZ-CB 3.28Å; S51-C168 CarbonylContact O-C 3.44Å; S51-C168 WeakPolarHBondContact O-CA 3.4Å; C52-C168 HydrophobicContact CB-CB 4.09Å; C52-C168 WeakPolarHBondContact CB-SG 3.11Å; C52-C168 WeakPolarHBondContact SG-CB 3.44Å; C52-C168 CovalentContact SG-SG 2.05Å; C52-C168 PolarHBondContact SG-SG 2.95Å; Q154-C168 CarbonylContact C-O 3.55Å; Q154-C168 WeakPolarHBondContact CA-O 3.49Å; Y155-C168 PolarHBondContact N-O 3.28Å; Y155-C168 PolarHBondContact O-N 3.48Å
169F95.5Very high94.3Very high94 Ų9463.2 Ų63.241%0.41231%0.307SS..EExtended strand (participates in β ladder)trans-111.8129-176.5-59.5-81.8000110F50 S51 A153 Q154 D167F50-F169 WeakPolarHBondContact CD2-O 3.23Å; S51-F169 PolarHBondContact N-O 3.48Å; S51-F169 PolarHBondContact O-N 3Å; A153-F169 WeakPolarHBondContact O-CA 3.31Å; Q154-F169 HydrophobicContact CB-CE1 4.48Å; Q154-F169 HydrophobicContact CG-CE1 4.31Å; D167-F169 HydrophobicContact CB-CE2 4.38Å; D167-F169 HydrophobicContact CB-CZ 4.27Å
170T93Very high94.2Very high13 Ų1358.9 Ų58.98%0.0829%0.291CS..  trans-88.4142178.161.80000110.2F50 F68 P152 A153F50-T170 HydrophobicContact CD2-CG2 4.37Å; F50-T170 HydrophobicContact CE2-CG2 4.2Å; F68-T170 HydrophobicContact CE2-CG2 3.94Å; F68-T170 HydrophobicContact CZ-CG2 3.71Å; P152-T170 WeakPolarHBondContact O-CG2 3.25Å; P152-T170 PolarHBondContact O-OG1 3.36Å; A153-T170 PolarHBondContact O-N 3.38Å; A153-T170 VanDerWaalsContact O-N 3.13Å; A153-T170 PolarHBondContact O-OG1 3.48Å
171S91.6Very high94.1Very high20 Ų2055.8 Ų55.814%0.1428%0.275CS..SBendtrans-76.8141.5173.9-171.80000113E49 K176E49-S171 VanDerWaalsContact CB-CB 3.48Å; E49-S171 WeakPolarHBondContact OE2-CB 2.87Å; E49-S171 PolarHBondContact OE2-OG 3.04Å; S171-K176 VanDerWaalsContact O-CE 3.27Å; S171-K176 WeakPolarHBondContact O-CE 3.36Å; S171-K176 PolarHBondContact O-NZ 2.61Å
172R92.4Very high94.1Very high98 Ų9858.9 Ų58.937%0.3729%0.286SS..SBendtrans43.652.7174.1-57.4177.2-147.8175.37.6113.8L42 E49 M174 E175 K176L42-R172 HydrophobicContact CD1-CB 4.28Å; E49-R172 IonicContact OE1-NH2 2.99Å; E49-R172 PolarHBondContact OE1-NH2 3.21Å; E49-R172 VanDerWaalsContact OE1-NH2 3.1Å; E49-R172 IonicContact OE2-NE 3.84Å; E49-R172 IonicContact OE2-NH2 3.85Å; R172-M174 VanDerWaalsContact C-N 3.29Å; R172-M174 PolarHBondContact O-N 3.46Å; R172-E175 HydrophobicContact CB-CB 4.16Å; R172-E175 HydrophobicContact CB-CG 4.38Å; R172-E175 VanDerWaalsContact CD-OE2 3.27Å; R172-E175 WeakPolarHBondContact CD-OE2 3.48Å; R172-E175 PolarHBondContact O-N 3.28Å; R172-K176 WeakPolarHBondContact O-CG 3.28Å; R172-K176 PolarHBondContact O-N 3Å; R172-K176 VanDerWaalsContact O-N 3.09Å
173P92.4Very high93.9Very high27 Ų2758.4 Ų58.418%0.17528%0.282CS..Hα-helixtrans-61.1-36.4-174.924.5-34000112.7V151 A153 T177V151-P173 WeakPolarHBondContact O-CB 3.27Å; A153-P173 HydrophobicContact CB-CB 4.28Å; A153-P173 HydrophobicContact CB-CG 3.81Å; P173-T177 VanDerWaalsContact O-CB 3.25Å; P173-T177 WeakPolarHBondContact O-CB 3.27Å; P173-T177 PolarHBondContact O-N 2.85Å; P173-T177 PolarHBondContact O-OG1 3.42Å
174M92.3Very high94Very high132 Ų13256.9 Ų56.965%0.6527%0.267SS*.Hα-helixtrans-68.4-45178.5-67.4-59-6800112.4R172 K176 T177 I178R172-M174 VanDerWaalsContact C-N 3.29Å; R172-M174 PolarHBondContact O-N 3.46Å; M174-K176 PolarHBondContact O-N 3.47Å; M174-T177 PolarHBondContact O-N 2.94Å; M174-I178 VanDerWaalsContact O-CG1 3.31Å; M174-I178 WeakPolarHBondContact O-CG1 3.14Å; M174-I178 PolarHBondContact O-N 3.26Å
175E93.3Very high94Very high106 Ų10651.7 Ų51.750%0.49526%0.259SS..Hα-helixtrans-62.6-44.4177.9-65.3178.2-163.600111.1L42 R172 T177 I178 F179L42-E175 HydrophobicContact CD1-CB 3.9Å; R172-E175 HydrophobicContact CB-CB 4.16Å; R172-E175 HydrophobicContact CB-CG 4.38Å; R172-E175 VanDerWaalsContact CD-OE2 3.27Å; R172-E175 WeakPolarHBondContact CD-OE2 3.48Å; R172-E175 PolarHBondContact O-N 3.28Å; E175-T177 VanDerWaalsContact C-N 3.34Å; E175-T177 PolarHBondContact O-N 3.02Å; E175-I178 PolarHBondContact O-N 3.36Å; E175-F179 VanDerWaalsContact O-CB 3.28Å; E175-F179 WeakPolarHBondContact O-CB 3.38Å; E175-F179 PolarHBondContact O-N 3.18Å
176K92.9Very high93.9Very high5 Ų548.2 Ų48.22%0.02224%0.238CC..Hα-helixtrans-62.2-40.5175.9-70.3175.7-175.3170.80112.5L42 F43 E46 V151 S171 R172 M174 F179 L180L42-K176 HydrophobicContact CD1-CG 4.06Å; L42-K176 HydrophobicContact CD2-CB 4.49Å; L42-K176 HydrophobicContact CD2-CG 3.82Å; L42-K176 HydrophobicContact CG-CG 3.81Å; L42-K176 WeakPolarHBondContact O-CE 3.43Å; F43-K176 HydrophobicContact CE1-CD 4.19Å; F43-K176 HydrophobicContact CE1-CG 4.25Å; F43-K176 HydrophobicContact CZ-CB 4.48Å; F43-K176 HydrophobicContact CZ-CG 4.09Å; E46-K176 VanDerWaalsContact CG-NZ 3.33Å; E46-K176 WeakPolarHBondContact OE1-CD 3.46Å; E46-K176 WeakPolarHBondContact OE1-CE 3.27Å; E46-K176 IonicContact OE1-NZ 2.72Å; E46-K176 PolarHBondContact OE1-NZ 2.96Å; V151-K176 HydrophobicContact CG2-CB 4.18Å; S171-K176 VanDerWaalsContact O-CE 3.27Å; S171-K176 WeakPolarHBondContact O-CE 3.36Å; S171-K176 PolarHBondContact O-NZ 2.61Å; R172-K176 WeakPolarHBondContact O-CG 3.28Å; R172-K176 PolarHBondContact O-N 3Å; R172-K176 VanDerWaalsContact O-N 3.09Å; M174-K176 PolarHBondContact O-N 3.47Å; K176-F179 PolarHBondContact O-N 2.86Å; K176-L180 VanDerWaalsContact O-CB 3.25Å; K176-L180 WeakPolarHBondContact O-CB 3.17Å; K176-L180 PolarHBondContact O-N 3.34Å
177T93.3Very high93.8Very high13 Ų1348.2 Ų48.28%0.0824%0.238CC..Hα-helixtrans-66.4-46178.1-63.20000111.3E150 V151 P173 M174 E175 F179 L180 Y181E150-T177 HydrophobicContact CG-CG2 4.37Å; V151-T177 PolarHBondContact N-OG1 3.04Å; V151-T177 VanDerWaalsContact N-OG1 3.09Å; P173-T177 VanDerWaalsContact O-CB 3.25Å; P173-T177 WeakPolarHBondContact O-CB 3.27Å; P173-T177 PolarHBondContact O-N 2.85Å; P173-T177 PolarHBondContact O-OG1 3.42Å; M174-T177 PolarHBondContact O-N 2.94Å; E175-T177 VanDerWaalsContact C-N 3.34Å; E175-T177 PolarHBondContact O-N 3.02Å; T177-F179 VanDerWaalsContact C-N 3.32Å; T177-F179 PolarHBondContact O-N 3.47Å; T177-L180 WeakPolarHBondContact O-CB 3.01Å; T177-L180 PolarHBondContact O-N 2.95Å; T177-Y181 HydrophobicContact CG2-CD2 3.88Å; T177-Y181 HydrophobicContact CG2-CE2 3.44Å; T177-Y181 VanDerWaalsContact CG2-CE2 3.44Å; T177-Y181 WeakPolarHBondContact O-CD2 3.46Å; T177-Y181 PolarHBondContact O-N 2.91Å
178I94.4Very high93.8Very high111 Ų11148.8 Ų48.857%0.56924%0.243SC*.Hα-helixtrans-59.9-44.7175.4-68.8167.1000110.6M174 E175 L180 Y181 F182M174-I178 VanDerWaalsContact O-CG1 3.31Å; M174-I178 WeakPolarHBondContact O-CG1 3.14Å; M174-I178 PolarHBondContact O-N 3.26Å; E175-I178 PolarHBondContact O-N 3.36Å; I178-L180 VanDerWaalsContact C-N 3.34Å; I178-L180 PolarHBondContact O-N 3.42Å; I178-Y181 PolarHBondContact O-N 3.35Å; I178-F182 WeakPolarHBondContact O-CB 3.39Å; I178-F182 PolarHBondContact O-N 3.4Å
179F93.7Very high93.7Very high14 Ų1452.7 Ų52.76%0.06126%0.264CS..Hα-helixtrans-62.3-40.9178-171.6-112.8000112.5I34 V38 A39 L42 F43 W76 E175 K176 T177 F182 Y183I34-F179 HydrophobicContact CG2-CE2 3.48Å; I34-F179 VanDerWaalsContact CG2-CE2 3.48Å; I34-F179 HydrophobicContact CG2-CZ 3.8Å; V38-F179 HydrophobicContact CB-CE2 3.82Å; V38-F179 HydrophobicContact CB-CZ 4.34Å; V38-F179 HydrophobicContact CG1-CD2 3.81Å; V38-F179 HydrophobicContact CG1-CE2 3.6Å; V38-F179 HydrophobicContact CG1-CZ 4.35Å; A39-F179 HydrophobicContact CB-CE1 3.57Å; A39-F179 HydrophobicContact CB-CZ 3.59Å; L42-F179 HydrophobicContact CD2-CB 3.99Å; L42-F179 HydrophobicContact CD2-CD1 4.19Å; L42-F179 HydrophobicContact CD2-CG 4.12Å; F43-F179 AromaticContact CE2-CD1 3.72Å; F43-F179 HydrophobicContact CE2-CD1 3.72Å; F43-F179 AromaticContact CE2-CE1 3.85Å; F43-F179 HydrophobicContact CE2-CE1 3.85Å; F43-F179 HydrophobicContact CZ-CD1 4.32Å; W76-F179 AromaticContact CE3-CE1 3.84Å; W76-F179 HydrophobicContact CE3-CE1 3.84Å; W76-F179 HydrophobicContact CE3-CZ 4.28Å; W76-F179 AromaticContact CH2-CD1 3.43Å; W76-F179 HydrophobicContact CH2-CD1 3.43Å; W76-F179 VanDerWaalsContact CH2-CD1 3.43Å; W76-F179 AromaticContact CH2-CE1 3.4Å; W76-F179 HydrophobicContact CH2-CE1 3.4Å; W76-F179 VanDerWaalsContact CH2-CE1 3.4Å; W76-F179 HydrophobicContact CH2-CG 4.3Å; W76-F179 HydrophobicContact CH2-CZ 4.18Å; W76-F179 AromaticContact CZ3-CD1 3.52Å; W76-F179 HydrophobicContact CZ3-CD1 3.52Å; W76-F179 AromaticContact CZ3-CE1 2.93Å; W76-F179 HydrophobicContact CZ3-CE1 2.93Å; W76-F179 HydrophobicContact CZ3-CE2 4.38Å; W76-F179 HydrophobicContact CZ3-CG 4.46Å; W76-F179 AromaticContact CZ3-CZ 3.43Å; W76-F179 HydrophobicContact CZ3-CZ 3.43Å; W76-F179 VanDerWaalsContact CZ3-CZ 3.43Å; E175-F179 VanDerWaalsContact O-CB 3.28Å; E175-F179 WeakPolarHBondContact O-CB 3.38Å; E175-F179 PolarHBondContact O-N 3.18Å; K176-F179 PolarHBondContact O-N 2.86Å; T177-F179 VanDerWaalsContact C-N 3.32Å; T177-F179 PolarHBondContact O-N 3.47Å; F179-F182 PolarHBondContact O-N 2.87Å; F179-Y183 WeakPolarHBondContact O-CB 3.32Å; F179-Y183 PolarHBondContact O-N 3.48Å
180L92.6Very high93.5Very high4 Ų448.3 Ų48.32%0.02125%0.245CC..Hα-helixtrans-61.8-45.5176.6-171.3153.3000111.6Q143 F149 K176 T177 I178 F184Q143-L180 VanDerWaalsContact NE2-CD2 3.27Å; Q143-L180 VanDerWaalsContact NE2-CG 3.34Å; Q143-L180 PolarHBondContact NE2-O 3.43Å; F149-L180 HydrophobicContact CD1-CD2 4.33Å; K176-L180 VanDerWaalsContact O-CB 3.25Å; K176-L180 WeakPolarHBondContact O-CB 3.17Å; K176-L180 PolarHBondContact O-N 3.34Å; T177-L180 WeakPolarHBondContact O-CB 3.01Å; T177-L180 PolarHBondContact O-N 2.95Å; I178-L180 VanDerWaalsContact C-N 3.34Å; I178-L180 PolarHBondContact O-N 3.42Å; L180-F184 VanDerWaalsContact O-CB 3.28Å; L180-F184 WeakPolarHBondContact O-CB 3.33Å; L180-F184 PolarHBondContact O-N 3.36Å
181Y93.8Very high93.5Very high115 Ų11548.1 Ų48.145%0.45125%0.245SC..Hα-helixtrans-63.4-44.6175.2-75.8-56.7000112.6F149 T177 I178 Y183 F184 G185F149-Y181 HydrophobicContact CB-CE1 3.74Å; F149-Y181 HydrophobicContact CD1-CD1 4.23Å; F149-Y181 AromaticContact CD1-CE1 3.79Å; F149-Y181 HydrophobicContact CD1-CE1 3.79Å; F149-Y181 HydrophobicContact CG-CE1 4.13Å; F149-Y181 PolarHBondContact O-OH 2.83Å; T177-Y181 HydrophobicContact CG2-CD2 3.88Å; T177-Y181 HydrophobicContact CG2-CE2 3.44Å; T177-Y181 VanDerWaalsContact CG2-CE2 3.44Å; T177-Y181 WeakPolarHBondContact O-CD2 3.46Å; T177-Y181 PolarHBondContact O-N 2.91Å; I178-Y181 PolarHBondContact O-N 3.35Å; Y181-Y183 PolarHBondContact O-N 2.86Å; Y181-F184 PolarHBondContact O-N 3.45Å; Y181-G185 PolarHBondContact O-N 2.94Å
182F94.5Very high93.5Very high94 Ų9453.7 Ų53.741%0.41227%0.267SS..Hα-helixtrans-57.3-50.9178.3176.3-100.7000111.2F30 I34 I178 F179 F184 G185 V186F30-F182 AromaticContact CE1-CE1 3.8Å; F30-F182 HydrophobicContact CE1-CE1 3.8Å; F30-F182 AromaticContact CE1-CZ 3.62Å; F30-F182 HydrophobicContact CE1-CZ 3.62Å; F30-F182 AromaticContact CZ-CE1 3.9Å; F30-F182 HydrophobicContact CZ-CE1 3.9Å; F30-F182 AromaticContact CZ-CZ 3.55Å; F30-F182 HydrophobicContact CZ-CZ 3.55Å; I34-F182 HydrophobicContact CG1-CE1 4.46Å; I34-F182 HydrophobicContact CG2-CE1 4.4Å; I178-F182 WeakPolarHBondContact O-CB 3.39Å; I178-F182 PolarHBondContact O-N 3.4Å; F179-F182 PolarHBondContact O-N 2.87Å; F182-F184 PolarHBondContact O-N 2.87Å; F182-G185 PolarHBondContact O-N 2.96Å; F182-V186 HydrophobicContact CE1-CG2 4.02Å; F182-V186 HydrophobicContact CE2-CG2 4.37Å; F182-V186 HydrophobicContact CZ-CG2 3.91Å; F182-V186 WeakPolarHBondContact O-CG2 3.44Å; F182-V186 PolarHBondContact O-N 2.99Å
183Y93.8Very high93.4Very high5 Ų550.1 Ų50.12%0.0226%0.257CS..Hα-helixtrans-69.3-34.9-178.8-158.8-92.5000112.7R31 W76 F179 Y181 G185 V186 G187R31-Y183 HydrophobicContact CB-CE2 4.32Å; R31-Y183 HydrophobicContact CG-CE2 4.05Å; W76-Y183 HydrophobicContact CB-CE1 4.13Å; W76-Y183 AromaticContact CD1-CE1 3.97Å; W76-Y183 AromaticContact CD2-CD1 3.46Å; W76-Y183 HydrophobicContact CD2-CD1 3.46Å; W76-Y183 VanDerWaalsContact CD2-CD1 3.46Å; W76-Y183 HydrophobicContact CD2-CD2 4.15Å; W76-Y183 AromaticContact CD2-CE1 3.46Å; W76-Y183 HydrophobicContact CD2-CE1 3.46Å; W76-Y183 VanDerWaalsContact CD2-CE1 3.46Å; W76-Y183 HydrophobicContact CD2-CE2 4.13Å; W76-Y183 AromaticContact CD2-CG 3.82Å; W76-Y183 HydrophobicContact CD2-CG 3.82Å; W76-Y183 AromaticContact CD2-CZ 3.79Å; W76-Y183 AromaticContact CE2-CD1 3.48Å; W76-Y183 VanDerWaalsContact CE2-CD1 3.48Å; W76-Y183 AromaticContact CE2-CE1 3.91Å; W76-Y183 AromaticContact CE2-CG 3.9Å; W76-Y183 AromaticContact CE3-CD1 3.55Å; W76-Y183 HydrophobicContact CE3-CD1 3.55Å; W76-Y183 AromaticContact CE3-CD2 3.34Å; W76-Y183 HydrophobicContact CE3-CD2 3.34Å; W76-Y183 AromaticContact CE3-CE1 3.64Å; W76-Y183 HydrophobicContact CE3-CE1 3.64Å; W76-Y183 AromaticContact CE3-CE2 3.41Å; W76-Y183 HydrophobicContact CE3-CE2 3.41Å; W76-Y183 VanDerWaalsContact CE3-CE2 3.41Å; W76-Y183 AromaticContact CE3-CG 3.39Å; W76-Y183 HydrophobicContact CE3-CG 3.39Å; W76-Y183 AromaticContact CE3-CZ 3.56Å; W76-Y183 HydrophobicContact CG-CD1 4.07Å; W76-Y183 AromaticContact CG-CE1 3.62Å; W76-Y183 HydrophobicContact CG-CE1 3.62Å; W76-Y183 AromaticContact CG-CZ 3.97Å; W76-Y183 AromaticContact CH2-CD1 3.85Å; W76-Y183 HydrophobicContact CH2-CD1 3.85Å; W76-Y183 AromaticContact CH2-CD2 3.91Å; W76-Y183 HydrophobicContact CH2-CD2 3.91Å; W76-Y183 AromaticContact CH2-CG 3.36Å; W76-Y183 HydrophobicContact CH2-CG 3.36Å; W76-Y183 AromaticContact CZ2-CD1 3.74Å; W76-Y183 HydrophobicContact CZ2-CD1 3.74Å; W76-Y183 AromaticContact CZ2-CG 3.76Å; W76-Y183 HydrophobicContact CZ2-CG 3.76Å; W76-Y183 AromaticContact CZ3-CD1 3.68Å; W76-Y183 HydrophobicContact CZ3-CD1 3.68Å; W76-Y183 AromaticContact CZ3-CD2 3.13Å; W76-Y183 HydrophobicContact CZ3-CD2 3.13Å; W76-Y183 HydrophobicContact CZ3-CE1 4.22Å; W76-Y183 AromaticContact CZ3-CE2 3.74Å; W76-Y183 HydrophobicContact CZ3-CE2 3.74Å; W76-Y183 AromaticContact CZ3-CG 3.08Å; W76-Y183 HydrophobicContact CZ3-CG 3.08Å; W76-Y183 AromaticContact NE1-CD1 3.95Å; F179-Y183 WeakPolarHBondContact O-CB 3.32Å; F179-Y183 PolarHBondContact O-N 3.48Å; Y181-Y183 PolarHBondContact O-N 2.86Å; Y183-G185 VanDerWaalsContact C-N 3.34Å; Y183-V186 PolarHBondContact O-N 2.8Å; Y183-G187 PolarHBondContact O-N 3.46Å
184F94.6Very high93.3Very high45 Ų4548.8 Ų48.820%0.19725%0.248CC..Hα-helixtrans-60.6-43.6171.6-174.5-96.3000111.4L140 F149 L180 Y181 F182 G187 V188L140-F184 HydrophobicContact CB-CE2 4.42Å; L140-F184 HydrophobicContact CD2-CD2 3.58Å; L140-F184 HydrophobicContact CD2-CE2 3.52Å; L140-F184 HydrophobicContact CD2-CG 4.3Å; L140-F184 HydrophobicContact CD2-CZ 4.2Å; F149-F184 HydrophobicContact CE1-CD1 4.02Å; F149-F184 HydrophobicContact CE1-CD2 4.04Å; F149-F184 AromaticContact CE1-CE1 3.91Å; F149-F184 HydrophobicContact CE1-CE1 3.91Å; F149-F184 AromaticContact CE1-CE2 3.93Å; F149-F184 HydrophobicContact CE1-CE2 3.93Å; F149-F184 HydrophobicContact CE1-CG 4.08Å; F149-F184 AromaticContact CE1-CZ 3.87Å; F149-F184 HydrophobicContact CE1-CZ 3.87Å; F149-F184 HydrophobicContact CZ-CE1 4.25Å; F149-F184 HydrophobicContact CZ-CE2 4.13Å; F149-F184 AromaticContact CZ-CZ 3.9Å; F149-F184 HydrophobicContact CZ-CZ 3.9Å; L180-F184 VanDerWaalsContact O-CB 3.28Å; L180-F184 WeakPolarHBondContact O-CB 3.33Å; L180-F184 PolarHBondContact O-N 3.36Å; Y181-F184 PolarHBondContact O-N 3.45Å; F182-F184 PolarHBondContact O-N 2.87Å; F184-G187 CarbonylContact O-C 3.54Å; F184-G187 VanDerWaalsContact O-CA 3.27Å; F184-G187 WeakPolarHBondContact O-CA 3.32Å; F184-G187 PolarHBondContact O-N 3.24Å; F184-G187 VanDerWaalsContact O-N 3.09Å; F184-V188 HydrophobicContact CD1-CG2 4.13Å; F184-V188 HydrophobicContact CE1-CG2 3.75Å; F184-V188 HydrophobicContact CZ-CG2 4.14Å; F184-V188 PolarHBondContact O-N 3.03Å
185G95Very high93.2Very high39 Ų3945.1 Ų45.140%0.40223%0.233SC..Hα-helixtrans-60.5-45.4175.500000113Y181 F182 Y183 G187 V188 L189Y181-G185 PolarHBondContact O-N 2.94Å; F182-G185 PolarHBondContact O-N 2.96Å; Y183-G185 VanDerWaalsContact C-N 3.34Å; G185-G187 VanDerWaalsContact C-N 3.26Å; G185-G187 PolarHBondContact O-N 3.32Å; G185-V188 PolarHBondContact O-N 3.07Å; G185-L189 PolarHBondContact O-N 3.48Å
186V94.3Very high93Very high16 Ų1643.3 Ų43.310%0.09723%0.229CC..Hα-helixtrans-61.5-37172.6176.30000111F30 R31 F182 Y183 S190F30-V186 HydrophobicContact CD1-CG1 4.41Å; F30-V186 HydrophobicContact CE1-CG2 4.07Å; R31-V186 HydrophobicContact CG-CG1 4.21Å; R31-V186 PolarHBondContact NH2-O 3.5Å; R31-V186 VanDerWaalsContact NH2-O 3.17Å; F182-V186 HydrophobicContact CE1-CG2 4.02Å; F182-V186 HydrophobicContact CE2-CG2 4.37Å; F182-V186 HydrophobicContact CZ-CG2 3.91Å; F182-V186 WeakPolarHBondContact O-CG2 3.44Å; F182-V186 PolarHBondContact O-N 2.99Å; Y183-V186 PolarHBondContact O-N 2.8Å; V186-S190 WeakPolarHBondContact O-CB 3.41Å; V186-S190 PolarHBondContact O-N 3.39Å; V186-S190 PolarHBondContact O-OG 3.49Å
187G94.4Very high92.7Very high3 Ų344 Ų443%0.03123%0.233CC..Hα-helixtrans-52.4-58.2168.700000113.1R31 Y183 F184 G185 L189 S190 A191R31-G187 VanDerWaalsContact NH2-CA 3.28Å; Y183-G187 PolarHBondContact O-N 3.46Å; F184-G187 CarbonylContact O-C 3.54Å; F184-G187 VanDerWaalsContact O-CA 3.27Å; F184-G187 WeakPolarHBondContact O-CA 3.32Å; F184-G187 PolarHBondContact O-N 3.24Å; F184-G187 VanDerWaalsContact O-N 3.09Å; G185-G187 VanDerWaalsContact C-N 3.26Å; G185-G187 PolarHBondContact O-N 3.32Å; G187-L189 PolarHBondContact O-N 3.45Å; G187-S190 PolarHBondContact O-N 3.32Å; G187-S190 PolarHBondContact O-OG 2.89Å; G187-A191 PolarHBondContact O-N 3.16Å
188V95.4Very high92.4Very high70 Ų7044.8 Ų44.842%0.42424%0.236SC..Hα-helixtrans-61.1-44.1-179.4173.60000111.5L140 F184 G185 S190 A191 F192L140-V188 HydrophobicContact CD1-CG2 4.42Å; L140-V188 HydrophobicContact CD2-CG2 4.24Å; F184-V188 HydrophobicContact CD1-CG2 4.13Å; F184-V188 HydrophobicContact CE1-CG2 3.75Å; F184-V188 HydrophobicContact CZ-CG2 4.14Å; F184-V188 PolarHBondContact O-N 3.03Å; G185-V188 PolarHBondContact O-N 3.07Å; V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 2.87Å; V188-A191 PolarHBondContact O-N 2.66Å; V188-F192 WeakPolarHBondContact O-CB 3.34Å; V188-F192 PolarHBondContact O-N 3.47Å
189L93.8Very high92Very high83 Ų8344.2 Ų44.244%0.43523%0.234SC..Hα-helixtrans-60.9-40.6178.2-179.560.8000112.3W23 M27 G185 G187 S193W23-L189 HydrophobicContact CZ2-CD2 4.29Å; M27-L189 HydrophobicContact SD-CD2 4.49Å; G185-L189 PolarHBondContact O-N 3.48Å; G187-L189 PolarHBondContact O-N 3.45Å; L189-S193 WeakPolarHBondContact O-CB 3.35Å; L189-S193 PolarHBondContact O-N 2.91Å; L189-S193 PolarHBondContact O-OG 2.91Å; L189-S193 VanDerWaalsContact O-OG 3.05Å
190S92.8Very high91.5Very high1 Ų149.4 Ų49.41%0.00725%0.254CS..Hα-helixtrans-67.7-41.2176.369.80000112.9R31 E136 V186 G187 V188 F192 S193 S194R31-S190 PolarHBondContact NH2-OG 2.87Å; E136-S190 WeakPolarHBondContact OE1-CB 3.34Å; E136-S190 PolarHBondContact OE1-OG 3.36Å; E136-S190 VanDerWaalsContact OE2-C 3.22Å; E136-S190 PolarHBondContact OE2-OG 3.04Å; V186-S190 WeakPolarHBondContact O-CB 3.41Å; V186-S190 PolarHBondContact O-N 3.39Å; V186-S190 PolarHBondContact O-OG 3.49Å; G187-S190 PolarHBondContact O-N 3.32Å; G187-S190 PolarHBondContact O-OG 2.89Å; V188-S190 VanDerWaalsContact C-N 3.32Å; V188-S190 PolarHBondContact O-N 2.87Å; S190-F192 VanDerWaalsContact C-N 3.32Å; S190-F192 PolarHBondContact O-N 3.4Å; S190-S193 WeakPolarHBondContact CA-OG 3.22Å; S190-S193 PolarHBondContact O-N 3.28Å; S190-S193 PolarHBondContact O-OG 3.47Å; S190-S194 VanDerWaalsContact O-CB 3.3Å; S190-S194 WeakPolarHBondContact O-CB 3.29Å; S190-S194 PolarHBondContact O-N 2.76Å; S190-S194 PolarHBondContact O-OG 2.75Å
191A92.6Very high90.9Very high10 Ų1050.7 Ų50.78%0.08326%0.263CS..Hα-helixtrans-66.8-40.218000000110.4E136 L140 G187 V188 T195E136-A191 HydrophobicContact CB-CB 4.35Å; E136-A191 VanDerWaalsContact OE2-CA 3.25Å; E136-A191 WeakPolarHBondContact OE2-CA 3.41Å; E136-A191 PolarHBondContact OE2-N 3.27Å; L140-A191 HydrophobicContact CD1-CB 4.13Å; G187-A191 PolarHBondContact O-N 3.16Å; V188-A191 PolarHBondContact O-N 2.66Å; A191-T195 WeakPolarHBondContact O-CB 3.37Å; A191-T195 PolarHBondContact O-N 3Å; A191-T195 PolarHBondContact O-OG1 3.43Å
192F92.4Very high90.2Very high137 Ų13746.9 Ų46.960%0.60125%0.253SS*.Hα-helixtrans-61.2-53.1173.3178.4-102000111.6V188 S190 S194 T195 V196V188-F192 WeakPolarHBondContact O-CB 3.34Å; V188-F192 PolarHBondContact O-N 3.47Å; S190-F192 VanDerWaalsContact C-N 3.32Å; S190-F192 PolarHBondContact O-N 3.4Å; F192-S194 VanDerWaalsContact C-N 3.31Å; F192-S194 PolarHBondContact O-N 3.35Å; F192-T195 WeakPolarHBondContact O-CB 3.39Å; F192-T195 PolarHBondContact O-N 3.49Å; F192-T195 VanDerWaalsContact O-N 3.1Å; F192-V196 HydrophobicContact CD1-CG2 4.34Å; F192-V196 HydrophobicContact CE1-CG2 3.92Å; F192-V196 HydrophobicContact CE2-CG2 4.15Å; F192-V196 HydrophobicContact CZ-CG2 3.81Å; F192-V196 WeakPolarHBondContact O-CG2 3.3Å; F192-V196 PolarHBondContact O-N 2.87Å
193S90.2Very high89.4Confident22 Ų2247.1 Ų47.115%0.15426%0.258CS..Hα-helixtrans-62.5-36.8179.659.70000112.8L189 S190 V196 E197L189-S193 WeakPolarHBondContact O-CB 3.35Å; L189-S193 PolarHBondContact O-N 2.91Å; L189-S193 PolarHBondContact O-OG 2.91Å; L189-S193 VanDerWaalsContact O-OG 3.05Å; S190-S193 WeakPolarHBondContact CA-OG 3.22Å; S190-S193 PolarHBondContact O-N 3.28Å; S190-S193 PolarHBondContact O-OG 3.47Å; S193-V196 PolarHBondContact O-N 3.16Å; S193-E197 PolarHBondContact O-N 3.44Å
194S90.4Very high88.6Confident0 Ų052 Ų520%028%0.279CS..Hα-helixtrans-62.1-41.4171.9-66.80000112.6L24 R132 E136 S190 F192 E197 L198L24-S194 WeakPolarHBondContact CD2-OG 3.46Å; R132-S194 PolarHBondContact NE-OG 2.62Å; R132-S194 VanDerWaalsContact NH2-CB 3.28Å; R132-S194 PolarHBondContact NH2-OG 3.4Å; E136-S194 PolarHBondContact OE2-OG 3.02Å; S190-S194 VanDerWaalsContact O-CB 3.3Å; S190-S194 WeakPolarHBondContact O-CB 3.29Å; S190-S194 PolarHBondContact O-N 2.76Å; S190-S194 PolarHBondContact O-OG 2.75Å; F192-S194 VanDerWaalsContact C-N 3.31Å; F192-S194 PolarHBondContact O-N 3.35Å; S194-E197 PolarHBondContact O-N 3.11Å; S194-L198 PolarHBondContact O-N 3.28Å
195T89.8Confident87.2Confident55 Ų5553.5 Ų53.534%0.33728%0.284SS..Hα-helixtrans-67.1-43.3177.5-57.10000110.9A191 F192 E197 L198 L199A191-T195 WeakPolarHBondContact O-CB 3.37Å; A191-T195 PolarHBondContact O-N 3Å; A191-T195 PolarHBondContact O-OG1 3.43Å; F192-T195 WeakPolarHBondContact O-CB 3.39Å; F192-T195 PolarHBondContact O-N 3.49Å; F192-T195 VanDerWaalsContact O-N 3.1Å; T195-E197 VanDerWaalsContact C-N 3.34Å; T195-E197 PolarHBondContact O-N 3.37Å; T195-L198 PolarHBondContact O-N 3.06Å; T195-L199 HydrophobicContact CG2-CD1 4.09Å; T195-L199 HydrophobicContact CG2-CG 4.37Å; T195-L199 WeakPolarHBondContact O-CB 3.34Å; T195-L199 VanDerWaalsContact O-CG 3.28Å; T195-L199 WeakPolarHBondContact O-CG 3.13Å; T195-L199 PolarHBondContact O-N 3.17Å
196V88.9Confident85.7Confident68 Ų6856.7 Ų56.741%0.41229%0.287SS..Hα-helixtrans-61.1-42174.9173.40000111.3F192 S193 L198 L199 Y200F192-V196 HydrophobicContact CD1-CG2 4.34Å; F192-V196 HydrophobicContact CE1-CG2 3.92Å; F192-V196 HydrophobicContact CE2-CG2 4.15Å; F192-V196 HydrophobicContact CZ-CG2 3.81Å; F192-V196 WeakPolarHBondContact O-CG2 3.3Å; F192-V196 PolarHBondContact O-N 2.87Å; S193-V196 PolarHBondContact O-N 3.16Å; V196-L198 VanDerWaalsContact C-N 3.34Å; V196-L198 PolarHBondContact O-N 3.47Å; V196-L199 PolarHBondContact O-N 2.89Å; V196-Y200 WeakPolarHBondContact O-CB 3.44Å; V196-Y200 PolarHBondContact O-N 3.49Å
197E86.7Confident84.1Confident19 Ų1959.6 Ų59.69%0.08931%0.307CS..Hα-helixtrans-60.1-43.8175.4-174.4-172.4-166.900111.6R21 L24 Y125 R132 S193 S194 T195 S201R21-E197 VanDerWaalsContact CG-OE1 3.25Å; R21-E197 WeakPolarHBondContact CG-OE1 3.42Å; R21-E197 IonicContact NE-OE1 3.1Å; L24-E197 WeakPolarHBondContact CD1-OE2 3.17Å; Y125-E197 VanDerWaalsContact OH-CD 3.27Å; Y125-E197 PolarHBondContact OH-OE1 2.9Å; R132-E197 IonicContact CZ-OE2 3.73Å; R132-E197 IonicContact NH1-OE2 3.79Å; R132-E197 IonicContact NH2-OE2 2.68Å; R132-E197 PolarHBondContact NH2-OE2 3.03Å; S193-E197 PolarHBondContact O-N 3.44Å; S194-E197 PolarHBondContact O-N 3.11Å; T195-E197 VanDerWaalsContact C-N 3.34Å; T195-E197 PolarHBondContact O-N 3.37Å; E197-S201 VanDerWaalsContact O-CB 3.23Å; E197-S201 WeakPolarHBondContact O-CB 3.49Å; E197-S201 PolarHBondContact O-N 2.86Å; E197-S201 PolarHBondContact O-OG 3.26Å
198L86.6Confident82.2Confident29 Ų2962.1 Ų62.115%0.15232%0.323CS..Hα-helixtrans-65.1-45.4177.3-179.570.3000111.6I126 V129 M130 I133 S194 T195 V196 S201 S202I126-L198 HydrophobicContact CG2-CD1 4.21Å; V129-L198 HydrophobicContact CG1-CB 4.12Å; V129-L198 HydrophobicContact CG1-CD1 4.26Å; M130-L198 HydrophobicContact CG-CD1 4.39Å; M130-L198 HydrophobicContact SD-CD1 4.1Å; M130-L198 HydrophobicContact SD-CD2 3.27Å; M130-L198 WeakPolarHBondContact SD-CD2 3.47Å; M130-L198 HydrophobicContact SD-CG 4.33Å; I133-L198 HydrophobicContact CD1-CB 4.04Å; I133-L198 HydrophobicContact CD1-CD2 3.77Å; I133-L198 HydrophobicContact CD1-CG 4.49Å; S194-L198 PolarHBondContact O-N 3.28Å; T195-L198 PolarHBondContact O-N 3.06Å; V196-L198 VanDerWaalsContact C-N 3.34Å; V196-L198 PolarHBondContact O-N 3.47Å; L198-S201 PolarHBondContact O-N 3.44Å; L198-S202 VanDerWaalsContact O-CB 3.27Å; L198-S202 WeakPolarHBondContact O-CB 3.3Å; L198-S202 PolarHBondContact O-N 3.45Å; L198-S202 PolarHBondContact O-OG 2.82Å
199L86.3Confident80.2Confident99 Ų9961.2 Ų61.252%0.51832%0.316SS..Hα-helixtrans-61.8-49.7178.2-71.4172.5000110.8T195 V196 S201 S202 I203T195-L199 HydrophobicContact CG2-CD1 4.09Å; T195-L199 HydrophobicContact CG2-CG 4.37Å; T195-L199 WeakPolarHBondContact O-CB 3.34Å; T195-L199 VanDerWaalsContact O-CG 3.28Å; T195-L199 WeakPolarHBondContact O-CG 3.13Å; T195-L199 PolarHBondContact O-N 3.17Å; V196-L199 PolarHBondContact O-N 2.89Å; L199-S201 VanDerWaalsContact C-N 3.35Å; L199-S201 PolarHBondContact O-N 3.41Å; L199-S202 PolarHBondContact O-N 2.88Å; L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.33Å; L199-I203 PolarHBondContact O-N 3.38Å
200Y83.4Confident78Confident123 Ų12363.4 Ų63.448%0.48232%0.324SS..Hα-helixtrans-58.8-45.4176.7177.4-96.4000111.9P17 V196 S202 I203 K204P17-Y200 HydrophobicContact CB-CE1 4.15Å; V196-Y200 WeakPolarHBondContact O-CB 3.44Å; V196-Y200 PolarHBondContact O-N 3.49Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; Y200-S202 PolarHBondContact O-N 3.42Å; Y200-I203 PolarHBondContact O-N 2.95Å; Y200-K204 HydrophobicContact CE1-CD 4.37Å; Y200-K204 VanDerWaalsContact O-CB 3.31Å; Y200-K204 WeakPolarHBondContact O-CB 3.46Å; Y200-K204 PolarHBondContact O-N 3.35Å
201S79.6Confident75.8Confident31 Ų3169.5 Ų69.522%0.21735%0.352CS..Hα-helixtrans-64.9-34.8178.1-62.50000112.5E197 L198 L199 W205E197-S201 VanDerWaalsContact O-CB 3.23Å; E197-S201 WeakPolarHBondContact O-CB 3.49Å; E197-S201 PolarHBondContact O-N 2.86Å; E197-S201 PolarHBondContact O-OG 3.26Å; L198-S201 PolarHBondContact O-N 3.44Å; L199-S201 VanDerWaalsContact C-N 3.35Å; L199-S201 PolarHBondContact O-N 3.41Å; S201-W205 WeakPolarHBondContact O-CB 3.31Å; S201-W205 PolarHBondContact O-N 3.01Å
202S78.9Confident73.6Confident35 Ų3571.7 Ų71.725%0.24536%0.363CS..Hα-helixtrans-72.8-45.9178.4-58.50000111.4L198 L199 Y200 W205 F206L198-S202 VanDerWaalsContact O-CB 3.27Å; L198-S202 WeakPolarHBondContact O-CB 3.3Å; L198-S202 PolarHBondContact O-N 3.45Å; L198-S202 PolarHBondContact O-OG 2.82Å; L199-S202 PolarHBondContact O-N 2.88Å; Y200-S202 VanDerWaalsContact C-N 3.3Å; Y200-S202 PolarHBondContact O-N 3.42Å; S202-W205 WeakPolarHBondContact O-CB 3.17Å; S202-W205 PolarHBondContact O-N 3.12Å; S202-W205 VanDerWaalsContact O-N 3.13Å; S202-F206 WeakPolarHBondContact O-CD2 3.14Å; S202-F206 PolarHBondContact O-N 3.3Å
203I78.1Confident71.6Confident99 Ų9970.2 Ų70.251%0.50836%0.356SS..Hα-helixtrans-59.5-49.8175.5-66.8163.1000110.1L199 Y200 W205 F206 C207L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.33Å; L199-I203 PolarHBondContact O-N 3.38Å; Y200-I203 PolarHBondContact O-N 2.95Å; I203-W205 PolarHBondContact O-N 2.92Å; I203-F206 PolarHBondContact O-N 3.27Å; I203-C207 PolarHBondContact O-N 3.06Å
204K75.8Confident69.3Low108 Ų10873.9 Ų73.947%0.4737%0.374SS..Hα-helixtrans-57.7-38.4175.8-177172.4-176.6169.10111.6Y200 C208Y200-K204 HydrophobicContact CE1-CD 4.37Å; Y200-K204 VanDerWaalsContact O-CB 3.31Å; Y200-K204 WeakPolarHBondContact O-CB 3.46Å; Y200-K204 PolarHBondContact O-N 3.35Å; K204-C208 WeakPolarHBondContact O-CB 3.14Å; K204-C208 PolarHBondContact O-N 3Å; K204-C208 VanDerWaalsContact O-N 3.07Å
205W66.9Low67.4Low77 Ų7778.4 Ų78.429%0.29240%0.398SS..Hα-helixtrans-65.9-49176.5177.852.9000111.7R122 S201 S202 I203 C207 C208 D209R122-W205 VanDerWaalsContact NE-CD1 3.3Å; S201-W205 WeakPolarHBondContact O-CB 3.31Å; S201-W205 PolarHBondContact O-N 3.01Å; S202-W205 WeakPolarHBondContact O-CB 3.17Å; S202-W205 PolarHBondContact O-N 3.12Å; S202-W205 VanDerWaalsContact O-N 3.13Å; I203-W205 PolarHBondContact O-N 2.92Å; W205-C207 VanDerWaalsContact C-N 3.35Å; W205-C207 PolarHBondContact O-N 2.88Å; W205-C208 PolarHBondContact O-N 3.41Å; W205-D209 PolarHBondContact NE1-OD1 3.42Å; W205-D209 WeakPolarHBondContact O-CB 3.37Å; W205-D209 PolarHBondContact O-N 2.74Å
206F62.7Low65.3Low106 Ų10679.5 Ų79.547%0.46540%0.402SS..Hα-helixtrans-60.2-41.5178.7-79.6-70.3000112.7S202 I203 C208 L245S202-F206 WeakPolarHBondContact O-CD2 3.14Å; S202-F206 PolarHBondContact O-N 3.3Å; I203-F206 PolarHBondContact O-N 3.27Å; F206-C208 PolarHBondContact O-N 2.77Å; F206-L245 HydrophobicContact CD1-CD2 3.91Å; F206-L245 HydrophobicContact CE1-CD2 3.32Å; F206-L245 HydrophobicContact CZ-CD2 3.71Å
207C61.3Low63.4Low77 Ų7780.9 Ų80.952%0.5240%0.403SS..Hα-helixtrans-67.3-34.6176.3-69.30000113.1I203 W205I203-C207 PolarHBondContact O-N 3.06Å; W205-C207 VanDerWaalsContact C-N 3.35Å; W205-C207 PolarHBondContact O-N 2.88Å
208C54.6Low61.5Low56 Ų5682.5 Ų82.538%0.37842%0.417SS..Hα-helixtrans-92.5-19.9-174.1-151.10000113.3K204 W205 F206 Q210 N212K204-C208 WeakPolarHBondContact O-CB 3.14Å; K204-C208 PolarHBondContact O-N 3Å; K204-C208 VanDerWaalsContact O-N 3.07Å; W205-C208 PolarHBondContact O-N 3.41Å; F206-C208 PolarHBondContact O-N 2.77Å; C208-Q210 PolarHBondContact O-N 3.12Å; C208-N212 PolarHBondContact O-N 2.85Å; C208-N212 PolarHBondContact O-ND2 3.48Å
209D51.7Low59.8Low50 Ų5084.3 Ų84.327%0.26743%0.429SS..Hα-helixtrans-64.9-30.7170.9-142.361.8000110.3W205 N212 F213W205-D209 PolarHBondContact NE1-OD1 3.42Å; W205-D209 WeakPolarHBondContact O-CB 3.37Å; W205-D209 PolarHBondContact O-N 2.74Å; D209-N212 PolarHBondContact O-N 2.9Å; D209-F213 VanDerWaalsContact O-CB 3.27Å; D209-F213 WeakPolarHBondContact O-CB 3.44Å; D209-F213 PolarHBondContact O-N 3.03Å
210Q47.8Very low58Low129 Ų12981.8 Ų81.860%0.60342%0.42SS*.Hα-helixtrans-63.1-46.8177.5-163.7143.7-41.700112.4C208 F213 D214C208-Q210 PolarHBondContact O-N 3.12Å; Q210-F213 PolarHBondContact O-N 3.24Å; Q210-D214 PolarHBondContact O-N 3.03Å
211E46.5Very low56.4Low130 Ų13081.2 Ų81.261%0.60742%0.422SS*.Hα-helixtrans-70.6-32.8178.7-167-177.213100113.2L215E211-L215 PolarHBondContact O-N 3.42Å
212N47.4Very low54.8Low56 Ų5684.3 Ų84.330%0.29944%0.436SS..Hα-helixtrans-78.6-28.1177.1-75.9-76.2000112.9Y115 C208 D209 D214 L215 D216Y115-N212 HydrophobicContact CE2-CB 4.42Å; C208-N212 PolarHBondContact O-N 2.85Å; C208-N212 PolarHBondContact O-ND2 3.48Å; D209-N212 PolarHBondContact O-N 2.9Å; N212-D214 VanDerWaalsContact C-N 3.34Å; N212-L215 PolarHBondContact O-N 3.3Å; N212-D216 VanDerWaalsContact O-CB 3.29Å; N212-D216 WeakPolarHBondContact O-CB 3.26Å; N212-D216 PolarHBondContact O-N 3.35Å
213F49.2Very low53.2Low105 Ų10587.6 Ų87.646%0.46145%0.45SS..Hα-helixtrans-64.6-41.1171.5-171.7-94.4000110.2D209 Q210 L215 D216 E217 L238D209-F213 VanDerWaalsContact O-CB 3.27Å; D209-F213 WeakPolarHBondContact O-CB 3.44Å; D209-F213 PolarHBondContact O-N 3.03Å; Q210-F213 PolarHBondContact O-N 3.24Å; F213-L215 PolarHBondContact O-N 3.49Å; F213-D216 PolarHBondContact O-N 3.39Å; F213-E217 VanDerWaalsContact CE1-OE2 3.25Å; F213-E217 WeakPolarHBondContact CE1-OE2 3.33Å; F213-E217 WeakPolarHBondContact O-CB 3.39Å; F213-E217 PolarHBondContact O-N 3.18Å; F213-L238 HydrophobicContact CE2-CD2 3.88Å; F213-L238 HydrophobicContact CZ-CD2 3.7Å
214D43.6Very low51.7Low100 Ų10087.1 Ų87.154%0.53545%0.446SS..Hα-helixtrans-64.9-37.6174.5-69.4-44.3000112.9Q210 N212 S218Q210-D214 PolarHBondContact O-N 3.03Å; N212-D214 VanDerWaalsContact C-N 3.34Å; D214-S218 WeakPolarHBondContact O-CB 3.39Å; D214-S218 PolarHBondContact O-N 2.99Å
215L48.9Very low50.1Low95 Ų9587.2 Ų87.250%0.49745%0.451SS..Hα-helixtrans-74.6-35.9175.9-92.8156.2000113.8E211 N212 F213 T219E211-L215 PolarHBondContact O-N 3.42Å; N212-L215 PolarHBondContact O-N 3.3Å; F213-L215 PolarHBondContact O-N 3.49Å; L215-T219 VanDerWaalsContact O-CB 3.26Å; L215-T219 WeakPolarHBondContact O-CB 3.49Å; L215-T219 PolarHBondContact O-N 3.45Å; L215-T219 PolarHBondContact O-OG1 3.14Å
216D47.3Very low49Very low78 Ų7890.8 Ų90.842%0.41748%0.476SS..Hα-helixtrans-72.7-34.9174.2-158.737.1000110.3N212 F213 S220N212-D216 VanDerWaalsContact O-CB 3.29Å; N212-D216 WeakPolarHBondContact O-CB 3.26Å; N212-D216 PolarHBondContact O-N 3.35Å; F213-D216 PolarHBondContact O-N 3.39Å; D216-S220 WeakPolarHBondContact O-CA 3.34Å; D216-S220 WeakPolarHBondContact O-CB 3.49Å; D216-S220 PolarHBondContact O-N 3.39Å; D216-S220 PolarHBondContact O-OG 3.32Å
217E47.2Very low47.7Very low96 Ų9695.6 Ų95.645%0.44949%0.49SS..Hα-helixtrans-63.9-48.5171.7-168.7157.4-17500110.9F213 T219 S220 E221F213-E217 VanDerWaalsContact CE1-OE2 3.25Å; F213-E217 WeakPolarHBondContact CE1-OE2 3.33Å; F213-E217 WeakPolarHBondContact O-CB 3.39Å; F213-E217 PolarHBondContact O-N 3.18Å; E217-T219 PolarHBondContact O-N 3.15Å; E217-S220 PolarHBondContact O-N 2.92Å; E217-E221 WeakPolarHBondContact O-CB 3.24Å; E217-E221 WeakPolarHBondContact O-CG 3.4Å; E217-E221 PolarHBondContact O-N 2.93Å
218S47.1Very low46.4Very low54 Ų5496.8 Ų96.838%0.37849%0.487SS..Hα-helixtrans-63-41.5174.6174.70000113.5D214 N222D214-S218 WeakPolarHBondContact O-CB 3.39Å; D214-S218 PolarHBondContact O-N 2.99Å; S218-N222 WeakPolarHBondContact O-CB 3.37Å; S218-N222 PolarHBondContact O-N 3.31Å; S218-N222 PolarHBondContact O-ND2 3.31Å
219T52.3Low45.7Very low67 Ų67102.1 Ų102.141%0.41151%0.512SS..Hα-helixtrans-72.4-37.2178.9-55.90000111.4L215 E217 N222 L223L215-T219 VanDerWaalsContact O-CB 3.26Å; L215-T219 WeakPolarHBondContact O-CB 3.49Å; L215-T219 PolarHBondContact O-N 3.45Å; L215-T219 PolarHBondContact O-OG1 3.14Å; E217-T219 PolarHBondContact O-N 3.15Å; T219-N222 PolarHBondContact O-N 2.93Å; T219-L223 VanDerWaalsContact O-CB 3.3Å; T219-L223 WeakPolarHBondContact O-CB 3.43Å; T219-L223 PolarHBondContact O-N 2.82Å
220S47.4Very low45.1Very low46 Ų46107.5 Ų107.532%0.32254%0.535SS..Hα-helixtrans-68.7-39.5175.2-62.50000111.8D216 E217 L223 Q224D216-S220 WeakPolarHBondContact O-CA 3.34Å; D216-S220 WeakPolarHBondContact O-CB 3.49Å; D216-S220 PolarHBondContact O-N 3.39Å; D216-S220 PolarHBondContact O-OG 3.32Å; E217-S220 PolarHBondContact O-N 2.92Å; S220-L223 PolarHBondContact O-N 3.15Å; S220-Q224 WeakPolarHBondContact O-CA 3.49Å; S220-Q224 WeakPolarHBondContact O-CB 3.12Å; S220-Q224 WeakPolarHBondContact O-CG 3.42Å; S220-Q224 PolarHBondContact O-N 3.28Å
221E50.2Low44.2Very low111 Ų111107.2 Ų107.252%0.51955%0.547SS..Hα-helixtrans-63.6-43.4172.2-78.9-169.2141.400111.1E217 L223 Q224 N225E217-E221 WeakPolarHBondContact O-CB 3.24Å; E217-E221 WeakPolarHBondContact O-CG 3.4Å; E217-E221 PolarHBondContact O-N 2.93Å; E221-L223 PolarHBondContact O-N 3.29Å; E221-Q224 CarbonylContact O-C 3.57Å; E221-Q224 PolarHBondContact O-N 3.07Å; E221-N225 WeakPolarHBondContact O-CB 3.3Å; E221-N225 PolarHBondContact O-N 2.71Å; E221-N225 PolarHBondContact O-ND2 3.46Å; E221-N225 VanDerWaalsContact O-ND2 3.16Å; E221-N225 PolarHBondContact O-OD1 2.94Å
222N46.4Very low43.4Very low96 Ų96103.8 Ų103.851%0.51355%0.547SS..Hα-helixtrans-66.3-36.4175.5-78.8-60.4000113.2S218 T219 L226S218-N222 WeakPolarHBondContact O-CB 3.37Å; S218-N222 PolarHBondContact O-N 3.31Å; S218-N222 PolarHBondContact O-ND2 3.31Å; T219-N222 PolarHBondContact O-N 2.93Å; N222-L226 PolarHBondContact O-N 3.2Å
223L44.8Very low42.9Very low103 Ų103110.7 Ų110.754%0.53957%0.574SS.*Hα-helixtrans-76.9-29.7175.8-150.680.1000112.3T219 S220 E221 R227T219-L223 VanDerWaalsContact O-CB 3.3Å; T219-L223 WeakPolarHBondContact O-CB 3.43Å; T219-L223 PolarHBondContact O-N 2.82Å; S220-L223 PolarHBondContact O-N 3.15Å; E221-L223 PolarHBondContact O-N 3.29Å; L223-R227 PolarHBondContact O-N 3.5Å
224Q47Very low42.1Very low89 Ų89115.2 Ų115.242%0.41659%0.594SS.*Hα-helixtrans-74.1-33.3170.3-78.4-177.314.800111.5S220 E221 L226 R227 K228S220-Q224 WeakPolarHBondContact O-CA 3.49Å; S220-Q224 WeakPolarHBondContact O-CB 3.12Å; S220-Q224 WeakPolarHBondContact O-CG 3.42Å; S220-Q224 PolarHBondContact O-N 3.28Å; E221-Q224 CarbonylContact O-C 3.57Å; E221-Q224 PolarHBondContact O-N 3.07Å; Q224-L226 PolarHBondContact O-N 3.47Å; Q224-R227 CarbonylContact O-C 3.46Å; Q224-R227 PolarHBondContact O-N 3.48Å; Q224-K228 HydrophobicContact CB-CD 4.26Å; Q224-K228 WeakPolarHBondContact O-CA 3.46Å; Q224-K228 WeakPolarHBondContact O-CB 3.49Å; Q224-K228 WeakPolarHBondContact O-CG 3.48Å; Q224-K228 PolarHBondContact O-N 3.2Å
225N41.2Very low41.4Very low110 Ų110116 Ų11659%0.58860%0.603SS**Hα-helixtrans-67.2-26.4174.1-71.4-22.4000112.1E221 R227E221-N225 WeakPolarHBondContact O-CB 3.3Å; E221-N225 PolarHBondContact O-N 2.71Å; E221-N225 PolarHBondContact O-ND2 3.46Å; E221-N225 VanDerWaalsContact O-ND2 3.16Å; E221-N225 PolarHBondContact O-OD1 2.94Å; N225-R227 VanDerWaalsContact C-N 3.34Å
226L43.6Very low40.6Very low153 Ų153118.7 Ų118.780%0.80162%0.623SS**THydrogen-bonded Turntrans-78.4-12.4168.8-86.1154.8000114.2N222 Q224N222-L226 PolarHBondContact O-N 3.2Å; Q224-L226 PolarHBondContact O-N 3.47Å
227R36Very low39.9Very low206 Ų206124 Ų12478%0.77764%0.643SS**THydrogen-bonded Turntrans-112.4-23178.8-172.2176.6-72.9-173.8-3.3113.2L223 Q224 N225 D229 E230L223-R227 PolarHBondContact O-N 3.5Å; Q224-R227 CarbonylContact O-C 3.46Å; Q224-R227 PolarHBondContact O-N 3.48Å; N225-R227 VanDerWaalsContact C-N 3.34Å; R227-D229 PolarHBondContact O-N 3.49Å; R227-D229 VanDerWaalsContact O-N 3.16Å; R227-E230 PolarHBondContact O-N 3.28Å
228K34.2Very low39.1Very low102 Ų102125.5 Ų125.544%0.44365%0.653SS.*THydrogen-bonded Turntrans-87.147.2178.6-78175.8171.7159.30111.7Q224Q224-K228 HydrophobicContact CB-CD 4.26Å; Q224-K228 WeakPolarHBondContact O-CA 3.46Å; Q224-K228 WeakPolarHBondContact O-CB 3.49Å; Q224-K228 WeakPolarHBondContact O-CG 3.48Å; Q224-K228 PolarHBondContact O-N 3.2Å
229D39.3Very low38.5Very low169 Ų169127.4 Ų127.490%0.90467%0.665SS**THydrogen-bonded Turntrans-75.4-5138-96.9-30.7000110.9R227R227-D229 PolarHBondContact O-N 3.49Å; R227-D229 VanDerWaalsContact O-N 3.16Å
230E39.9Very low37.3Very low162 Ų162135 Ų13576%0.75769%0.688SS**SBendtrans-136.8112169.4-66.1-166.6136.200112.2R227R227-E230 PolarHBondContact O-N 3.28Å
231S28.5Very low36.8Very low123 Ų123139.6 Ų139.686%0.8671%0.708SS**  trans14.5145.116278.50000120.8
232G30.3Very low36.4Very low58 Ų58141 Ų14160%0.59871%0.712SS**  cis145.9123.515.500000109
233K35.7Very low35.8Very low201 Ų201142.2 Ų142.287%0.87472%0.719SS**  trans70.1122.6164.3-70.5177.1177.2172.30122.3
234K32.6Very low35.5Very low200 Ų200144.9 Ų144.987%0.8773%0.73SS**  154.7134.4127.6-85.7169.5-178.8175.80107.6
235T30.1Very low35.1Very low118 Ų118145 Ų14572%0.72473%0.733SS**  -177.7115.583.6-61.40000111.4K237T235-K237 HydrophobicContact CG2-CB 4.07Å; T235-K237 PolarHBondContact O-N 2.76Å
236T31.2Very low35.3Very low151 Ų151145.8 Ų145.893%0.92674%0.735SS**  trans-91.728.4-179.2-43.20000113.6
237K32.4Very low35.3Very low190 Ų190145.7 Ų145.783%0.82674%0.735SS**  trans-106.20.1-167.1-91.8-170.5176.4-174.20117.8T235T235-K237 HydrophobicContact CG2-CB 4.07Å; T235-K237 PolarHBondContact O-N 2.76Å
238L30.4Very low35.4Very low126 Ų126144.9 Ų144.966%0.6674%0.737SS**SBendtrans-103.713.5-171.8-144.973.4000115.4F213F213-L238 HydrophobicContact CE2-CD2 3.88Å; F213-L238 HydrophobicContact CZ-CD2 3.7Å
239C34.7Very low35.7Very low95 Ų95144.3 Ų144.364%0.64275%0.745SS**SBendtrans-89.8-24.5-176.8-150.70000113.7K242C239-K242 WeakPolarHBondContact O-CB 3.31Å
240Y28Very low35.4Very low227 Ų227149.3 Ų149.389%0.8976%0.759SS**G310 helixtrans-80-23.7-172.3-99.1-92.3000115K242Y240-K242 PolarHBondContact O-N 3.1Å
241L36.4Very low35.2Very low141 Ų141148.7 Ų148.774%0.73876%0.759SS**G310 helixtrans-79.5-9.1177.6-149.673.2000112.7
242K41Very low35.6Very low141 Ų141150.1 Ų150.161%0.61375%0.754SS**G310 helixtrans-74.5-24.5-173.6-153.7173.3-177177.40113.5C239 Y240C239-K242 WeakPolarHBondContact O-CB 3.31Å; Y240-K242 PolarHBondContact O-N 3.1Å
243N34.8Very low35.9Very low122 Ų122155.2 Ų155.265%0.65276%0.763SS**THydrogen-bonded Turntrans-91.4-17.6-174.7-92.4-11.6000115.5
244M37.3Very low35.9Very low158 Ų158152.5 Ų152.578%0.77876%0.756SS**THydrogen-bonded Turntrans-86.3-22.9-177.2-166176.9162.100113.1
245L40.5Very low36.1Very low91 Ų91149.5 Ų149.548%0.47675%0.749SS.*SBendtrans-90.9-12.1-178.2-101.886.6000114.8F206 L247 F248F206-L245 HydrophobicContact CD1-CD2 3.91Å; F206-L245 HydrophobicContact CE1-CD2 3.32Å; F206-L245 HydrophobicContact CZ-CD2 3.71Å; L245-L247 PolarHBondContact O-N 3.07Å; L245-F248 PolarHBondContact O-N 3.17Å
246M43.7Very low36.5Very low128 Ų128151.6 Ų151.663%0.63175%0.751SS**G310 helixtrans-67.7-10.7178.5-86.1-151.5-66.300114.2F248M246-F248 VanDerWaalsContact C-N 3.31Å; M246-F248 PolarHBondContact O-N 3.03Å
247L43.4Very low36.9Very low150 Ų150151.6 Ų151.679%0.78574%0.738SS**G310 helixtrans-77.1-11.3177-98104.3000114.7L245L245-L247 PolarHBondContact O-N 3.07Å
248F39.8Very low37.2Very low189 Ų189148.7 Ų148.783%0.82973%0.732SS**G310 helixtrans-105.68.9-177.6-77.5-81.6000114.1L245 M246L245-F248 PolarHBondContact O-N 3.17Å; M246-F248 VanDerWaalsContact C-N 3.31Å; M246-F248 PolarHBondContact O-N 3.03Å
249C39.1Very low37.8Very low91 Ų91150.6 Ų150.662%0.61574%0.738SS**  trans-122.640-174.8-148.50000112.8
250F34.5Very low38Very low274 Ų274155.6 Ų155.6100%1.20275%0.746SS**  trans-111.30164.5-100.1-83.3000110

Retrieved 250 of 250 residues in 46.4 ms (Link to these results)

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