A0A061IDH0_CRIGR Loading...

Phospholipase A2

AlphaFold DB , UniProt , Accession A0A061IDH0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pla2g2e, Length 142 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
1M40.9Very low49.8Very low244 Ų244142.8 Ų142.8100%1.20278%0.783SS**  0109.20-60.816882.400107.6
2K35.6Very low49.7Very low203 Ų203142.8 Ų142.888%0.88378%0.78SS**  trans-124133.2172-84.9178.7174.3177.50106.5
3P42.2Very low49.6Very low120 Ų120143.6 Ų143.678%0.77978%0.782SS**  trans-72.2149.6179.332.4-32.4000109.2
4P48.5Very low49.7Very low114 Ų114142.1 Ų142.174%0.7478%0.779SS**  trans-74.1134.217330.7-28.6000108.7V6P4-V6 PolarHBondContact O-N 3.48Å
5L55.9Low49.4Very low156 Ų156138.1 Ų138.182%0.81777%0.765SS**  trans-68.199.7173.7-159.882.8000107.7L7L5-L7 HydrophobicContact CD2-CD1 3.95Å; L5-L7 PolarHBondContact O-N 3.17Å
6V52.7Low49.1Very low130 Ų130136.1 Ų136.179%0.78876%0.76SS**  trans-75.695.3173.7-170.60000107.2P4 A8P4-V6 PolarHBondContact O-N 3.48Å; V6-A8 VanDerWaalsContact C-N 3.29Å; V6-A8 PolarHBondContact O-N 3.06Å
7L57.9Low48.7Very low119 Ų119133.6 Ų133.662%0.62375%0.749SS**  trans-74.486.8172.7-141.581.1000107.7L5 F9L5-L7 HydrophobicContact CD2-CD1 3.95Å; L5-L7 PolarHBondContact O-N 3.17Å; L7-F9 HydrophobicContact CD2-CD2 3.71Å; L7-F9 HydrophobicContact CD2-CE2 3.5Å; L7-F9 HydrophobicContact CG-CD2 4.24Å; L7-F9 HydrophobicContact CG-CE2 4.37Å; L7-F9 PolarHBondContact O-N 3.46Å
8A56Low48.4Very low82 Ų82132.4 Ų132.468%0.67874%0.741SS**  trans-71.584.9170.700000108.8V6 L10V6-A8 VanDerWaalsContact C-N 3.29Å; V6-A8 PolarHBondContact O-N 3.06Å; A8-L10 VanDerWaalsContact C-N 3.28Å; A8-L10 PolarHBondContact O-N 2.71Å
9F55.1Low48.6Very low166 Ų166126.1 Ų126.173%0.72871%0.708SS**  trans-68.792.2162.2-102.7-87.7000107.5L7 C11L7-F9 HydrophobicContact CD2-CD2 3.71Å; L7-F9 HydrophobicContact CD2-CE2 3.5Å; L7-F9 HydrophobicContact CG-CD2 4.24Å; L7-F9 HydrophobicContact CG-CE2 4.37Å; L7-F9 PolarHBondContact O-N 3.46Å; F9-C11 PolarHBondContact O-N 3.49Å
10L53.7Low49.7Very low148 Ų148119.8 Ų119.878%0.77567%0.673SS**  trans-6882.7155.1-113.196.8000106.5A8 L12A8-L10 VanDerWaalsContact C-N 3.28Å; A8-L10 PolarHBondContact O-N 2.71Å; L10-L12 PolarHBondContact O-N 2.91Å
11C49.6Very low51.2Low89 Ų89119.1 Ų119.160%0.60167%0.667SS**  trans-65.791.1159.1-81.30000106.4F9 L13F9-C11 PolarHBondContact O-N 3.49Å; C11-L13 HydrophobicContact CB-CD2 4.47Å; C11-L13 PolarHBondContact O-N 3.21Å
12L48.5Very low53.5Low143 Ų143111 Ų11175%0.74963%0.631SS**  trans-58.993.9153.1-75.1166.1000105.3L10 V14L10-L12 PolarHBondContact O-N 2.91Å; L12-V14 HydrophobicContact CB-CG2 4.42Å; L12-V14 PolarHBondContact O-N 3.34Å
13L48.7Very low56.3Low153 Ų153103.1 Ų103.180%0.80160%0.597SS**  trans-6678.4165.5-65.1174.3000106.2C11 S15C11-L13 HydrophobicContact CB-CD2 4.47Å; C11-L13 PolarHBondContact O-N 3.21Å; L13-S15 PolarHBondContact O-N 2.98Å
14V50.7Low58.9Low123 Ų12398.3 Ų98.375%0.74556%0.564SS**  trans-70.691.8156.7-168.50000103.3L12 P16L12-V14 HydrophobicContact CB-CG2 4.42Å; L12-V14 PolarHBondContact O-N 3.34Å; V14-P16 VanDerWaalsContact O-CD 3.32Å; V14-P16 WeakPolarHBondContact O-CD 3.43Å; V14-P16 VanDerWaalsContact O-N 3.09Å
15S45.1Very low61.2Low82 Ų8293.4 Ų93.457%0.57353%0.534SS*.  trans-49.2121.1167.2-56.50000106L13 V17L13-S15 PolarHBondContact O-N 2.98Å; S15-V17 PolarHBondContact O-N 2.97Å
16P43.9Very low63.1Low105 Ų10588.8 Ų88.868%0.68251%0.512SS*.  trans-63.999.7169.523.5-27000105.4V14 D18V14-P16 VanDerWaalsContact O-CD 3.32Å; V14-P16 WeakPolarHBondContact O-CD 3.43Å; V14-P16 VanDerWaalsContact O-N 3.09Å; P16-D18 WeakPolarHBondContact CB-OD2 3.19Å; P16-D18 PolarHBondContact O-N 3.45Å
17V43.5Very low65.2Low95 Ų9582.6 Ų82.658%0.57648%0.475SS*.  trans-7460.6166.5-174.30000105.7S15 G19 V22S15-V17 PolarHBondContact O-N 2.97Å; V17-G19 VanDerWaalsContact C-N 3.27Å; V17-G19 PolarHBondContact O-N 3.21Å; V17-G19 VanDerWaalsContact O-N 3.16Å; V17-V22 HydrophobicContact CG1-CG2 4.36Å; V17-V22 WeakPolarHBondContact O-CG2 3.49Å
18D43.6Very low67Low112 Ų11277.3 Ų77.360%0.59945%0.447SS*.  trans-87.281.7171.8-68.9-41.4000105.9P16 K83P16-D18 WeakPolarHBondContact CB-OD2 3.19Å; P16-D18 PolarHBondContact O-N 3.45Å; D18-K83 WeakPolarHBondContact O-CE 3.39Å; D18-K83 PolarHBondContact O-NZ 3.35Å; D18-K83 VanDerWaalsContact O-NZ 3.08Å
19G51.3Low69Low11 Ų1177.7 Ų77.711%0.11344%0.435CS..SBendtrans-144.4164.5173.400000109.3V17 L21 V22 Q23V17-G19 VanDerWaalsContact C-N 3.27Å; V17-G19 PolarHBondContact O-N 3.21Å; V17-G19 VanDerWaalsContact O-N 3.16Å; G19-L21 PolarHBondContact O-N 3.15Å; G19-V22 PolarHBondContact O-N 3.38Å; G19-Q23 PolarHBondContact O-OE1 2.93Å
20N69.8Low70.9Confident0 Ų078.7 Ų78.70%043%0.434CS..Hα-helixtrans-40-39-179.6-173.312000114.4V22 Q23 F24 Y69 P79 E82 Y84 T105 D109N20-V22 CarbonylContact O-C 3.55Å; N20-V22 PolarHBondContact O-N 3.03Å; N20-Q23 VanDerWaalsContact CA-OE1 3.24Å; N20-Q23 CarbonylContact O-C 3.59Å; N20-Q23 WeakPolarHBondContact O-CA 3.5Å; N20-Q23 WeakPolarHBondContact O-CB 3.24Å; N20-Q23 PolarHBondContact O-N 3.26Å; N20-Q23 PolarHBondContact O-OE1 3.41Å; N20-F24 PolarHBondContact O-N 2.92Å; N20-Y69 PolarHBondContact ND2-OH 2.03Å; N20-P79 WeakPolarHBondContact CB-O 3.47Å; N20-P79 PolarHBondContact ND2-O 3.44Å; N20-E82 WeakPolarHBondContact CB-O 3.34Å; N20-Y84 WeakPolarHBondContact OD1-CE1 3.36Å; N20-Y84 PolarHBondContact OD1-OH 3.24Å; N20-T105 WeakPolarHBondContact ND2-CG2 3.15Å; N20-D109 PolarHBondContact ND2-OD2 3.48Å; N20-D109 PolarHBondContact OD1-OD2 2.77Å
21L81.2Confident72.9Confident106 Ų10672.3 Ų72.356%0.55540%0.4SS*.Hα-helixtrans-52-30.7-178.6-63.9174.4000113.5G19 G25G19-L21 PolarHBondContact O-N 3.15Å; L21-G25 PolarHBondContact O-N 3.35Å
22V90.3Very high75.1Confident73 Ų7368.7 Ų68.744%0.44238%0.375SS..Hα-helixtrans-71.4-47.5172.9175.40000111.3V17 G19 N20 F24 G25 V26V17-V22 HydrophobicContact CG1-CG2 4.36Å; V17-V22 WeakPolarHBondContact O-CG2 3.49Å; G19-V22 PolarHBondContact O-N 3.38Å; N20-V22 CarbonylContact O-C 3.55Å; N20-V22 PolarHBondContact O-N 3.03Å; V22-F24 VanDerWaalsContact C-N 3.33Å; V22-F24 PolarHBondContact O-N 2.87Å; V22-G25 PolarHBondContact O-N 3.22Å; V22-V26 WeakPolarHBondContact O-CG2 3.37Å; V22-V26 PolarHBondContact O-N 3.05Å
23Q94.8Very high77.3Confident38 Ų3865.3 Ų65.318%0.17838%0.375CS..Hα-helixtrans-58.9-45.1175-70.699.2-3600111.7G19 N20 G25 V26 M27 Y84 F86G19-Q23 PolarHBondContact O-OE1 2.93Å; N20-Q23 VanDerWaalsContact CA-OE1 3.24Å; N20-Q23 CarbonylContact O-C 3.59Å; N20-Q23 WeakPolarHBondContact O-CA 3.5Å; N20-Q23 WeakPolarHBondContact O-CB 3.24Å; N20-Q23 PolarHBondContact O-N 3.26Å; N20-Q23 PolarHBondContact O-OE1 3.41Å; Q23-G25 VanDerWaalsContact C-N 3.35Å; Q23-G25 PolarHBondContact O-N 3Å; Q23-V26 PolarHBondContact O-N 3.15Å; Q23-M27 WeakPolarHBondContact O-CB 3.45Å; Q23-M27 PolarHBondContact O-N 2.86Å; Q23-Y84 HydrophobicContact CB-CD2 4.36Å; Q23-Y84 HydrophobicContact CB-CE2 3.68Å; Q23-Y84 HydrophobicContact CG-CE2 4.31Å; Q23-Y84 PolarHBondContact NE2-O 2.84Å; Q23-F86 HydrophobicContact CB-CD1 4.47Å; Q23-F86 HydrophobicContact CB-CE1 4.11Å
24F96.6Very high79.6Confident20 Ų2060.3 Ų60.39%0.08835%0.347CS..Hα-helixtrans-62.7-43.4176.9-174.6-150.6000111.3N20 V22 V26 M27 I28 H65 Y84 D109 A112 A113 F116N20-F24 PolarHBondContact O-N 2.92Å; V22-F24 VanDerWaalsContact C-N 3.33Å; V22-F24 PolarHBondContact O-N 2.87Å; F24-V26 PolarHBondContact O-N 2.97Å; F24-M27 CarbonylContact O-C 3.56Å; F24-M27 WeakPolarHBondContact O-CA 3.48Å; F24-M27 WeakPolarHBondContact O-CB 3.36Å; F24-M27 PolarHBondContact O-N 3.28Å; F24-M27 VanDerWaalsContact O-N 3.09Å; F24-I28 HydrophobicContact CD1-CD1 4.14Å; F24-I28 HydrophobicContact CD2-CD1 4.02Å; F24-I28 HydrophobicContact CD2-CG1 3.9Å; F24-I28 HydrophobicContact CE1-CD1 3.92Å; F24-I28 HydrophobicContact CE2-CD1 3.8Å; F24-I28 HydrophobicContact CE2-CG1 3.66Å; F24-I28 HydrophobicContact CG-CD1 4.2Å; F24-I28 HydrophobicContact CZ-CD1 3.75Å; F24-I28 HydrophobicContact CZ-CG1 4.09Å; F24-I28 WeakPolarHBondContact O-CG1 3.23Å; F24-I28 PolarHBondContact O-N 3.31Å; F24-H65 AromaticContact CE1-CE1 3.65Å; F24-H65 AromaticContact CE1-NE2 3.87Å; F24-Y84 PolarHBondContact N-OH 3.09Å; F24-D109 HydrophobicContact CB-CB 4.39Å; F24-D109 HydrophobicContact CD2-CB 3.54Å; F24-D109 HydrophobicContact CE2-CB 4Å; F24-D109 WeakPolarHBondContact CE2-O 3.42Å; F24-D109 HydrophobicContact CG-CB 4.06Å; F24-A112 HydrophobicContact CE2-CB 3.92Å; F24-A112 HydrophobicContact CZ-CB 3.64Å; F24-A113 HydrophobicContact CE2-CB 4.41Å; F24-F116 HydrophobicContact CE2-CE2 4.29Å; F24-F116 AromaticContact CZ-CE2 3.78Å; F24-F116 HydrophobicContact CZ-CE2 3.78Å; F24-F116 HydrophobicContact CZ-CZ 4.38Å
25G96.1Very high81.8Confident10 Ų1056.7 Ų56.710%0.10333%0.327CS..Hα-helixtrans-57.6-48.2175.300000112.8L21 V22 Q23 M27 I28 E29 A36L21-G25 PolarHBondContact O-N 3.35Å; V22-G25 PolarHBondContact O-N 3.22Å; Q23-G25 VanDerWaalsContact C-N 3.35Å; Q23-G25 PolarHBondContact O-N 3Å; G25-M27 VanDerWaalsContact C-N 3.26Å; G25-M27 PolarHBondContact O-N 3.1Å; G25-I28 PolarHBondContact O-N 2.03Å; G25-E29 WeakPolarHBondContact O-CG 3.28Å; G25-E29 PolarHBondContact O-N 3.35Å; G25-A36 VanDerWaalsContact CA-CB 3.43Å
26V95.9Very high84.2Confident60 Ų6053.5 Ų53.536%0.36431%0.306SS..Hα-helixtrans-60.3-391751770000110.8V22 Q23 F24 E29 R30 F86V22-V26 WeakPolarHBondContact O-CG2 3.37Å; V22-V26 PolarHBondContact O-N 3.05Å; Q23-V26 PolarHBondContact O-N 3.15Å; F24-V26 PolarHBondContact O-N 2.97Å; V26-E29 PolarHBondContact O-N 3.04Å; V26-R30 HydrophobicContact CG1-CG 4.32Å; V26-R30 WeakPolarHBondContact O-CB 3.45Å; V26-R30 WeakPolarHBondContact O-CG 3.35Å; V26-R30 PolarHBondContact O-N 3.4Å; V26-F86 HydrophobicContact CB-CZ 4.12Å; V26-F86 HydrophobicContact CG1-CZ 3.88Å
27M96.9Very high86.6Confident0 Ų053.9 Ų53.90%030%0.302CS..Hα-helixtrans-64.1-46.4177.1-165.7-175.7-62.800111.7Q23 F24 G25 E29 R30 M31 Y84 F86 I93 D109 K110 A113Q23-M27 WeakPolarHBondContact O-CB 3.45Å; Q23-M27 PolarHBondContact O-N 2.86Å; F24-M27 CarbonylContact O-C 3.56Å; F24-M27 WeakPolarHBondContact O-CA 3.48Å; F24-M27 WeakPolarHBondContact O-CB 3.36Å; F24-M27 PolarHBondContact O-N 3.28Å; F24-M27 VanDerWaalsContact O-N 3.09Å; G25-M27 VanDerWaalsContact C-N 3.26Å; G25-M27 PolarHBondContact O-N 3.1Å; M27-E29 VanDerWaalsContact C-N 3.33Å; M27-E29 PolarHBondContact O-N 3.1Å; M27-R30 PolarHBondContact O-N 2.92Å; M27-M31 HydrophobicContact CG-CG 4.45Å; M27-M31 WeakPolarHBondContact O-CB 3.23Å; M27-M31 VanDerWaalsContact O-CG 3.25Å; M27-M31 WeakPolarHBondContact O-CG 3.43Å; M27-M31 PolarHBondContact O-N 2.88Å; M27-Y84 HydrophobicContact CE-CE2 3.83Å; M27-F86 HydrophobicContact CB-CE2 3.93Å; M27-F86 HydrophobicContact CB-CZ 3.94Å; M27-F86 HydrophobicContact CE-CB 4.08Å; M27-F86 HydrophobicContact CE-CD1 4.13Å; M27-F86 HydrophobicContact CE-CD2 3.86Å; M27-F86 HydrophobicContact CE-CE2 4.28Å; M27-F86 HydrophobicContact CE-CG 3.76Å; M27-F86 HydrophobicContact CG-CD2 4.35Å; M27-F86 HydrophobicContact CG-CE2 4.04Å; M27-I93 HydrophobicContact CE-CG2 3.99Å; M27-I93 HydrophobicContact CG-CD1 3.66Å; M27-I93 HydrophobicContact SD-CD1 3.65Å; M27-I93 HydrophobicContact SD-CG2 4.04Å; M27-D109 HydrophobicContact CE-CB 4.26Å; M27-D109 HydrophobicContact SD-CB 4.21Å; M27-K110 WeakPolarHBondContact SD-CA 3.45Å; M27-K110 HydrophobicContact SD-CB 4.13Å; M27-K110 PolarHBondContact SD-N 3.37Å; M27-A113 HydrophobicContact CG-CB 3.81Å; M27-A113 HydrophobicContact SD-CB 3.94Å
28I96.8Very high89.1Confident8 Ų852.1 Ų52.14%0.04129%0.287CS..Hα-helixtrans-56.6-48.9174.7-66.7168.6000110.1F24 G25 R30 M31 T32 Y39 F116F24-I28 HydrophobicContact CD1-CD1 4.14Å; F24-I28 HydrophobicContact CD2-CD1 4.02Å; F24-I28 HydrophobicContact CD2-CG1 3.9Å; F24-I28 HydrophobicContact CE1-CD1 3.92Å; F24-I28 HydrophobicContact CE2-CD1 3.8Å; F24-I28 HydrophobicContact CE2-CG1 3.66Å; F24-I28 HydrophobicContact CG-CD1 4.2Å; F24-I28 HydrophobicContact CZ-CD1 3.75Å; F24-I28 HydrophobicContact CZ-CG1 4.09Å; F24-I28 WeakPolarHBondContact O-CG1 3.23Å; F24-I28 PolarHBondContact O-N 3.31Å; G25-I28 PolarHBondContact O-N 2.03Å; I28-R30 VanDerWaalsContact C-N 3.35Å; I28-R30 PolarHBondContact O-N 3.06Å; I28-M31 PolarHBondContact O-N 3.45Å; I28-T32 HydrophobicContact CG2-CG2 4.27Å; I28-T32 WeakPolarHBondContact O-CB 3.45Å; I28-T32 WeakPolarHBondContact O-CG2 3.18Å; I28-T32 PolarHBondContact O-N 3.04Å; I28-T32 PolarHBondContact O-OG1 3.06Å; I28-Y39 HydrophobicContact CG2-CD2 3.46Å; I28-Y39 VanDerWaalsContact CG2-CD2 3.46Å; I28-Y39 HydrophobicContact CG2-CE2 3.78Å; I28-Y39 HydrophobicContact CG2-CG 4.03Å; I28-F116 HydrophobicContact CD1-CD2 4.35Å; I28-F116 HydrophobicContact CD1-CE2 3.88Å; I28-F116 HydrophobicContact CG1-CD2 3.97Å; I28-F116 HydrophobicContact CG1-CE2 3.95Å; I28-F116 HydrophobicContact CG2-CD2 4.45Å
29E96.4Very high91.6Very high89 Ų8947 Ų4742%0.41626%0.259SS..Hα-helixtrans-59.7-45.1-179.2-73.9-177.8177.700112G25 V26 M27 M31 G33 K34 A36G25-E29 WeakPolarHBondContact O-CG 3.28Å; G25-E29 PolarHBondContact O-N 3.35Å; V26-E29 PolarHBondContact O-N 3.04Å; M27-E29 VanDerWaalsContact C-N 3.33Å; M27-E29 PolarHBondContact O-N 3.1Å; E29-M31 PolarHBondContact O-N 3Å; E29-G33 WeakPolarHBondContact O-CA 3.33Å; E29-G33 PolarHBondContact O-N 3.37Å; E29-K34 WeakPolarHBondContact CA-O 3.23Å; E29-K34 WeakPolarHBondContact CG-O 3.42Å; E29-A36 HydrophobicContact CG-CB 4.35Å; E29-A36 PolarHBondContact OE1-N 2.97Å
30R95.5Very high93.6Very high187 Ų18750.5 Ų50.571%0.70628%0.275SS*.Hα-helixtrans-64.9-37.2177.8-69.7-71-175.31721112.9V26 M27 I28 V88V26-R30 HydrophobicContact CG1-CG 4.32Å; V26-R30 WeakPolarHBondContact O-CB 3.45Å; V26-R30 WeakPolarHBondContact O-CG 3.35Å; V26-R30 PolarHBondContact O-N 3.4Å; M27-R30 PolarHBondContact O-N 2.92Å; I28-R30 VanDerWaalsContact C-N 3.35Å; I28-R30 PolarHBondContact O-N 3.06Å; R30-V88 HydrophobicContact CB-CG1 4.45Å; R30-V88 HydrophobicContact CB-CG2 4.11Å; R30-V88 HydrophobicContact CG-CG2 4.41Å
31M95.6Very high94.9Very high14 Ų1453.6 Ų53.67%0.06929%0.292CS..Hα-helixtrans-85.9-27.4-175.8-63.1-46.3-55.600113.7M27 I28 E29 V88 I93 A113 L114 R117M27-M31 HydrophobicContact CG-CG 4.45Å; M27-M31 WeakPolarHBondContact O-CB 3.23Å; M27-M31 VanDerWaalsContact O-CG 3.25Å; M27-M31 WeakPolarHBondContact O-CG 3.43Å; M27-M31 PolarHBondContact O-N 2.88Å; I28-M31 PolarHBondContact O-N 3.45Å; E29-M31 PolarHBondContact O-N 3Å; M31-V88 HydrophobicContact SD-CG1 3.83Å; M31-I93 HydrophobicContact CE-CD1 4.36Å; M31-I93 HydrophobicContact CE-CG1 4.4Å; M31-I93 HydrophobicContact CG-CD1 3.49Å; M31-I93 VanDerWaalsContact CG-CD1 3.49Å; M31-I93 HydrophobicContact CG-CG1 4.2Å; M31-I93 HydrophobicContact SD-CD1 3.59Å; M31-I93 VanDerWaalsContact SD-CD1 3.59Å; M31-I93 HydrophobicContact SD-CG1 3.6Å; M31-I93 VanDerWaalsContact SD-CG1 3.6Å; M31-A113 HydrophobicContact CB-CB 4.28Å; M31-A113 HydrophobicContact CG-CB 3.98Å; M31-L114 HydrophobicContact CE-CD2 3.69Å; M31-R117 HydrophobicContact CB-CB 4.41Å; M31-R117 VanDerWaalsContact CE-CZ 3.44Å; M31-R117 WeakPolarHBondContact O-CB 2.77Å; M31-R117 VanDerWaalsContact O-CD 3.23Å; M31-R117 WeakPolarHBondContact O-CD 3.17Å; M31-R117 VanDerWaalsContact O-CG 3.23Å; M31-R117 WeakPolarHBondContact O-CG 3.28Å
32T95.8Very high95.7Very high14 Ų1448.6 Ų48.69%0.08627%0.266CS..Hα-helixtrans-112.6-18.7-171.868.20000113.7I28 K34 Y39 F116I28-T32 HydrophobicContact CG2-CG2 4.27Å; I28-T32 WeakPolarHBondContact O-CB 3.45Å; I28-T32 WeakPolarHBondContact O-CG2 3.18Å; I28-T32 PolarHBondContact O-N 3.04Å; I28-T32 PolarHBondContact O-OG1 3.06Å; T32-K34 PolarHBondContact O-N 3.24Å; T32-K34 PolarHBondContact OG1-N 2.88Å; T32-Y39 HydrophobicContact CG2-CE2 4.25Å; T32-F116 HydrophobicContact CG2-CB 3.69Å
33G96Very high96.1Very high72 Ų7245.2 Ų45.274%0.74225%0.246SC*.SBendtrans67.912.6-17200000114.1E29E29-G33 WeakPolarHBondContact O-CA 3.33Å; E29-G33 PolarHBondContact O-N 3.37Å
34K95.9Very high96.3Very high47 Ų4743.8 Ų43.820%0.20424%0.24CC..SBendtrans-116.2149.1-179.6-68.7178.3-168.5-64.70109.8E29 T32 A36 Y39 L120 Y123E29-K34 WeakPolarHBondContact CA-O 3.23Å; E29-K34 WeakPolarHBondContact CG-O 3.42Å; T32-K34 PolarHBondContact O-N 3.24Å; T32-K34 PolarHBondContact OG1-N 2.88Å; K34-A36 PolarHBondContact O-N 2.83Å; K34-Y39 HydrophobicContact CB-CE2 3.87Å; K34-Y39 HydrophobicContact CD-CE2 3.9Å; K34-L120 HydrophobicContact CD-CD2 4.12Å; K34-Y123 HydrophobicContact CD-CD1 4.42Å; K34-Y123 HydrophobicContact CD-CE1 4.36Å
35S96.4Very high96.4Very high47 Ų4743.3 Ų43.333%0.32924%0.238SC..  trans-59138.9175.2176.30000110.6L37 Q38S35-L37 PolarHBondContact O-N 2.97Å; S35-L37 VanDerWaalsContact O-N 3.15Å; S35-L37 PolarHBondContact OG-N 3.1Å; S35-Q38 WeakPolarHBondContact O-CB 3.26Å; S35-Q38 WeakPolarHBondContact O-CG 3.36Å; S35-Q38 PolarHBondContact O-N 3.45Å
36A95.9Very high96.4Very high16 Ų1643.3 Ų43.313%0.13224%0.236CC..G310 helixtrans-57.9-27175.500000112.9G25 E29 K34 Q38 Y39 N40G25-A36 VanDerWaalsContact CA-CB 3.43Å; E29-A36 HydrophobicContact CG-CB 4.35Å; E29-A36 PolarHBondContact OE1-N 2.97Å; K34-A36 PolarHBondContact O-N 2.83Å; A36-Q38 PolarHBondContact O-N 3.48Å; A36-Q38 VanDerWaalsContact O-N 3.15Å; A36-Y39 PolarHBondContact O-N 3.39Å; A36-N40 PolarHBondContact O-N 3.05Å
37L94.1Very high96.3Very high113 Ų11342.2 Ų42.259%0.59224%0.237SC*.G310 helixtrans-62.7-17.6175-60-179.8000113.3S35 Y39 N40S35-L37 PolarHBondContact O-N 2.97Å; S35-L37 VanDerWaalsContact O-N 3.15Å; S35-L37 PolarHBondContact OG-N 3.1Å; L37-Y39 VanDerWaalsContact C-N 3.27Å; L37-N40 VanDerWaalsContact CA-OD1 3.3Å; L37-N40 WeakPolarHBondContact CA-OD1 3.23Å; L37-N40 PolarHBondContact O-OD1 2.92Å
38Q95.8Very high95.9Very high57 Ų5749 Ų4927%0.26628%0.278SS..G310 helixtrans-82.7-7.1175.4-54.4-161.5-84.300113.3S35 A36 Y123S35-Q38 WeakPolarHBondContact O-CB 3.26Å; S35-Q38 WeakPolarHBondContact O-CG 3.36Å; S35-Q38 PolarHBondContact O-N 3.45Å; A36-Q38 PolarHBondContact O-N 3.48Å; A36-Q38 VanDerWaalsContact O-N 3.15Å; Q38-Y123 WeakPolarHBondContact CB-OH 3.28Å; Q38-Y123 PolarHBondContact O-OH 2.9Å
39Y97.2Very high95.3Very high4 Ų451 Ų512%0.01630%0.3CS..THydrogen-bonded Turntrans-118.7-25.8-179-71.4-90000112.6I28 T32 K34 A36 L37 D41 C46 T58 F116 Y123I28-Y39 HydrophobicContact CG2-CD2 3.46Å; I28-Y39 VanDerWaalsContact CG2-CD2 3.46Å; I28-Y39 HydrophobicContact CG2-CE2 3.78Å; I28-Y39 HydrophobicContact CG2-CG 4.03Å; T32-Y39 HydrophobicContact CG2-CE2 4.25Å; K34-Y39 HydrophobicContact CB-CE2 3.87Å; K34-Y39 HydrophobicContact CD-CE2 3.9Å; A36-Y39 PolarHBondContact O-N 3.39Å; L37-Y39 VanDerWaalsContact C-N 3.27Å; Y39-D41 PolarHBondContact O-N 3.47Å; Y39-D41 VanDerWaalsContact O-N 3.16Å; Y39-C46 WeakPolarHBondContact O-CB 3.21Å; Y39-T58 HydrophobicContact CD1-CG2 3.89Å; Y39-T58 HydrophobicContact CE1-CG2 3.65Å; Y39-F116 HydrophobicContact CD1-CB 4.39Å; Y39-F116 AromaticContact CD1-CD1 3.86Å; Y39-F116 HydrophobicContact CD1-CD1 3.86Å; Y39-F116 AromaticContact CD1-CD2 3.98Å; Y39-F116 HydrophobicContact CD1-CD2 3.98Å; Y39-F116 HydrophobicContact CD1-CE1 4.02Å; Y39-F116 HydrophobicContact CD1-CE2 4.18Å; Y39-F116 AromaticContact CD1-CG 3.83Å; Y39-F116 HydrophobicContact CD1-CG 3.83Å; Y39-F116 HydrophobicContact CD1-CZ 4.2Å; Y39-F116 HydrophobicContact CE1-CB 3.71Å; Y39-F116 AromaticContact CE1-CD1 3.81Å; Y39-F116 HydrophobicContact CE1-CD1 3.81Å; Y39-F116 HydrophobicContact CE1-CD2 4.15Å; Y39-F116 HydrophobicContact CE1-CE1 4.43Å; Y39-F116 AromaticContact CE1-CG 3.64Å; Y39-F116 HydrophobicContact CE1-CG 3.64Å; Y39-Y123 HydrophobicContact CD1-CE2 4.28Å; Y39-Y123 AromaticContact CE1-CD2 3.86Å; Y39-Y123 HydrophobicContact CE1-CD2 3.86Å; Y39-Y123 AromaticContact CE1-CE2 3.8Å; Y39-Y123 HydrophobicContact CE1-CE2 3.8Å; Y39-Y123 HydrophobicContact CE2-CE2 4.36Å; Y39-Y123 AromaticContact CZ-CD2 3.93Å; Y39-Y123 AromaticContact CZ-CE2 3.85Å
40N93.8Very high95.1Very high85 Ų8548.6 Ų48.646%0.45530%0.299SS..THydrogen-bonded Turntrans-75.40.3-174.773.3-20.7000115.3A36 L37 C46 G47A36-N40 PolarHBondContact O-N 3.05Å; L37-N40 VanDerWaalsContact CA-OD1 3.3Å; L37-N40 WeakPolarHBondContact CA-OD1 3.23Å; L37-N40 PolarHBondContact O-OD1 2.92Å; N40-C46 CarbonylContact C-O 3.22Å; N40-G47 WeakPolarHBondContact O-CA 3.38Å
41D95.8Very high95Very high66 Ų6642.3 Ų42.335%0.35328%0.284SS..THydrogen-bonded Turntrans-151.761.5175.2-173.926.6000108Y39 C46 H129Y39-D41 PolarHBondContact O-N 3.47Å; Y39-D41 VanDerWaalsContact O-N 3.16Å; D41-C46 CarbonylContact C-O 3.58Å; D41-C46 VanDerWaalsContact CA-O 3.22Å; D41-C46 WeakPolarHBondContact CA-O 3.11Å; D41-C46 PolarHBondContact N-O 3.33Å; D41-H129 WeakPolarHBondContact O-CA 3.44Å; D41-H129 PolarHBondContact O-N 2.81Å; D41-H129 WeakPolarHBondContact OD2-CA 3.5Å; D41-H129 IonicContact OD2-CE1 3.8Å; D41-H129 IonicContact OD2-CG 3.61Å; D41-H129 IonicContact OD2-ND1 2.76Å; D41-H129 PolarHBondContact OD2-ND1 2.82Å
42Y98.4Very high95.2Very high0 Ų043.8 Ų43.80%029%0.292CS..BIsolated β-bridgetrans-123.3130.8-173.5-173.3-80000111.4C46 D56 T58 Y123 N124 Y127 A128Y42-C46 PolarHBondContact N-O 3.44Å; Y42-C46 WeakPolarHBondContact O-CB 3.46Å; Y42-C46 PolarHBondContact O-N 2.98Å; Y42-C46 VanDerWaalsContact O-N 3.11Å; Y42-C46 PolarHBondContact O-SG 2.92Å; Y42-C46 VanDerWaalsContact O-SG 3.39Å; Y42-D56 WeakPolarHBondContact CE1-OD1 3.31Å; Y42-D56 PolarHBondContact OH-OD2 2.97Å; Y42-T58 HydrophobicContact CD1-CG2 3.98Å; Y42-T58 HydrophobicContact CE1-CG2 3.83Å; Y42-Y123 AromaticContact CD2-CE2 3.72Å; Y42-Y123 HydrophobicContact CD2-CE2 3.72Å; Y42-Y123 AromaticContact CE2-CD2 3.92Å; Y42-Y123 HydrophobicContact CE2-CD2 3.92Å; Y42-Y123 HydrophobicContact CE2-CE1 4.41Å; Y42-Y123 AromaticContact CE2-CE2 3.33Å; Y42-Y123 HydrophobicContact CE2-CE2 3.33Å; Y42-Y123 AromaticContact CE2-CZ 3.6Å; Y42-N124 WeakPolarHBondContact CE2-O 3.34Å; Y42-N124 PolarHBondContact OH-N 2.84Å; Y42-N124 PolarHBondContact OH-O 3.26Å; Y42-Y127 CarbonylContact C-O 3.59Å; Y42-Y127 VanDerWaalsContact CA-O 3.29Å; Y42-Y127 WeakPolarHBondContact CA-O 3Å; Y42-Y127 HydrophobicContact CE1-CD2 4.41Å; Y42-Y127 HydrophobicContact CE1-CG 4.49Å; Y42-Y127 VanDerWaalsContact CZ-CB 3.44Å; Y42-Y127 WeakPolarHBondContact OH-CD2 3.4Å; Y42-A128 HydrophobicContact CD2-CB 4.26Å
43G98.4Very high95.3Very high3 Ų349.4 Ų49.43%0.03131%0.312CS..THydrogen-bonded Turntrans62.3-136.1177.100000112.3Y127G43-Y127 PolarHBondContact N-O 2.91Å
44C98.6Very high95.4Very high7 Ų746.2 Ų46.25%0.04728%0.278CS..THydrogen-bonded Turntrans-107.9-12.1-175.1-65.60000113.8G50 S51 V55 D59 C135C44-G50 WeakPolarHBondContact O-CA 3.2Å; C44-S51 PolarHBondContact O-N 2.8Å; C44-V55 VanDerWaalsContact SG-CG1 3.55Å; C44-D59 WeakPolarHBondContact CB-OD2 3.25Å; C44-D59 VanDerWaalsContact N-CG 3.26Å; C44-D59 PolarHBondContact N-OD1 3.25Å; C44-D59 VanDerWaalsContact N-OD1 3.07Å; C44-D59 PolarHBondContact N-OD2 3.28Å; C44-C135 WeakPolarHBondContact CA-SG 3.04Å; C44-C135 HydrophobicContact CB-CB 3.85Å; C44-C135 WeakPolarHBondContact CB-SG 3.05Å; C44-C135 VanDerWaalsContact SG-CA 3.51Å; C44-C135 WeakPolarHBondContact SG-CB 3.29Å; C44-C135 CovalentContact SG-SG 2.03Å; C44-C135 PolarHBondContact SG-SG 2.9Å
45Y98.5Very high95.6Very high11 Ų1145.7 Ų45.74%0.04328%0.279CS..THydrogen-bonded Turntrans-123.2-34.2-176-74.2-91.6000114.1G47 N52 P54 D59 H63 T139 P140Y45-G47 PolarHBondContact O-N 3.08Å; Y45-N52 WeakPolarHBondContact CE2-O 3.24Å; Y45-N52 VanDerWaalsContact CZ-O 3.31Å; Y45-N52 PolarHBondContact OH-O 3.44Å; Y45-P54 HydrophobicContact CD2-CB 4.26Å; Y45-P54 HydrophobicContact CD2-CG 3.89Å; Y45-P54 HydrophobicContact CE2-CB 4.37Å; Y45-P54 HydrophobicContact CE2-CG 3.64Å; Y45-D59 WeakPolarHBondContact CB-OD1 3.44Å; Y45-D59 PolarHBondContact N-OD1 2.95Å; Y45-H63 HydrophobicContact CD1-CB 3.82Å; Y45-H63 HydrophobicContact CD2-CB 4.2Å; Y45-H63 HydrophobicContact CE1-CB 4.14Å; Y45-H63 AromaticContact CE1-CD2 3.47Å; Y45-H63 VanDerWaalsContact CE1-CD2 3.47Å; Y45-H63 WeakPolarHBondContact CE1-CD2 3.2Å; Y45-H63 HydrophobicContact CE2-CB 4.49Å; Y45-H63 HydrophobicContact CG-CB 3.86Å; Y45-H63 AromaticContact CZ-CD2 3.66Å; Y45-T139 WeakPolarHBondContact OH-CG2 3.39Å; Y45-P140 VanDerWaalsContact OH-CD 3.28Å; Y45-P140 WeakPolarHBondContact OH-CD 3.02Å
46C97.8Very high95.7Very high10 Ų1044.5 Ų44.57%0.06827%0.269CS..BIsolated β-bridgetrans-71.5106.5-174-45.60000111.1Y39 N40 D41 Y42 C62Y39-C46 WeakPolarHBondContact O-CB 3.21Å; N40-C46 CarbonylContact C-O 3.22Å; D41-C46 CarbonylContact C-O 3.58Å; D41-C46 VanDerWaalsContact CA-O 3.22Å; D41-C46 WeakPolarHBondContact CA-O 3.11Å; D41-C46 PolarHBondContact N-O 3.33Å; Y42-C46 PolarHBondContact N-O 3.44Å; Y42-C46 WeakPolarHBondContact O-CB 3.46Å; Y42-C46 PolarHBondContact O-N 2.98Å; Y42-C46 VanDerWaalsContact O-N 3.11Å; Y42-C46 PolarHBondContact O-SG 2.92Å; Y42-C46 VanDerWaalsContact O-SG 3.39Å; C46-C62 WeakPolarHBondContact CA-SG 3.29Å; C46-C62 HydrophobicContact CB-CB 3.7Å; C46-C62 WeakPolarHBondContact CB-SG 3.44Å; C46-C62 WeakPolarHBondContact SG-CB 3.45Å; C46-C62 CovalentContact SG-SG 2.01Å; C46-C62 PolarHBondContact SG-SG 2.99Å
47G93.4Very high95.8Very high37 Ų3748.6 Ų48.638%0.38129%0.285SS..SBendtrans140-146-177.300000111.7N40 Y45N40-G47 WeakPolarHBondContact O-CA 3.38Å; Y45-G47 PolarHBondContact O-N 3.08Å
48V87.3Confident96Very high143 Ų14343.2 Ų43.287%0.86726%0.257SS*.SBendtrans-91.3118.4176.5179.20000109.7
49G84.6Confident96.2Very high49 Ų4940.5 Ų40.551%0.50524%0.244SC..  trans105.8-136.8175.500000111.3
50G91.7Very high96.2Very high38 Ų3843.6 Ų43.639%0.39226%0.256SS..  trans134.7124.2-179.800000112.2C44C44-G50 WeakPolarHBondContact O-CA 3.2Å
51S95Very high96.5Very high55 Ų5539.7 Ų39.739%0.38524%0.236SC..  trans-161.9162.9177.260.50000112.5C44C44-S51 PolarHBondContact O-N 2.8Å
52N98.2Very high96.6Very high46 Ų4636.9 Ų36.925%0.24622%0.221CC..SBendtrans65.4-167-178.5-48.5-82.4000112.9Y45 C135 T136 G137 P138 T139 P140Y45-N52 WeakPolarHBondContact CE2-O 3.24Å; Y45-N52 VanDerWaalsContact CZ-O 3.31Å; Y45-N52 PolarHBondContact OH-O 3.44Å; N52-C135 HydrophobicContact CB-CB 4.06Å; N52-C135 PolarHBondContact ND2-O 3.47Å; N52-T136 WeakPolarHBondContact CB-O 3.41Å; N52-G137 WeakPolarHBondContact CA-O 3.14Å; N52-G137 WeakPolarHBondContact CB-O 3.03Å; N52-G137 PolarHBondContact OD1-O 2.91Å; N52-G137 VanDerWaalsContact OD1-O 3.08Å; N52-P138 CarbonylContact C-O 3.57Å; N52-P138 VanDerWaalsContact C-O 3.22Å; N52-T139 PolarHBondContact N-OG1 3.21Å; N52-P140 VanDerWaalsContact O-CD 3.28Å; N52-P140 WeakPolarHBondContact O-CD 3.45Å
53W98.6Very high96.6Very high131 Ų13137.5 Ų37.550%0.49622%0.224SC..SBendtrans-80.7134.1-173.9-162.9-96.4000112.1W60 T136 P138 P140W53-W60 HydrophobicContact CD2-CZ2 4.4Å; W53-W60 AromaticContact CE2-CZ2 3.83Å; W53-W60 HydrophobicContact CH2-CH2 4.27Å; W53-W60 HydrophobicContact CH2-CZ2 4.05Å; W53-W60 HydrophobicContact CZ2-CH2 4.34Å; W53-W60 AromaticContact CZ2-CZ2 3.66Å; W53-W60 HydrophobicContact CZ2-CZ2 3.66Å; W53-T136 WeakPolarHBondContact CB-O 3.36Å; W53-T136 PolarHBondContact N-O 3.23Å; W53-T136 VanDerWaalsContact N-O 3.14Å; W53-P138 HydrophobicContact CE3-CG 4.12Å; W53-P138 HydrophobicContact CZ3-CG 4.46Å; W53-P138 PolarHBondContact N-O 2.99Å; W53-P140 HydrophobicContact CD2-CG 4.47Å; W53-P140 HydrophobicContact CE3-CG 3.79Å; W53-P140 HydrophobicContact CZ3-CB 4.44Å; W53-P140 HydrophobicContact CZ3-CG 3.92Å
54P98.6Very high96.7Very high5 Ų539.9 Ų39.93%0.03224%0.243CC..  trans-61.9139.3177.2-23.634000112.9Y45 D59 W60 H63 P140Y45-P54 HydrophobicContact CD2-CB 4.26Å; Y45-P54 HydrophobicContact CD2-CG 3.89Å; Y45-P54 HydrophobicContact CE2-CB 4.37Å; Y45-P54 HydrophobicContact CE2-CG 3.64Å; P54-D59 WeakPolarHBondContact CA-OD2 3.48Å; P54-D59 HydrophobicContact CB-CB 3.95Å; P54-W60 HydrophobicContact CB-CD2 3.88Å; P54-W60 HydrophobicContact CB-CG 3.9Å; P54-W60 HydrophobicContact CB-CZ2 4.44Å; P54-W60 HydrophobicContact CG-CD2 3.59Å; P54-W60 HydrophobicContact CG-CE3 3.81Å; P54-W60 HydrophobicContact CG-CG 4.13Å; P54-W60 HydrophobicContact CG-CH2 4.05Å; P54-W60 HydrophobicContact CG-CZ2 3.81Å; P54-W60 HydrophobicContact CG-CZ3 4.03Å; P54-H63 HydrophobicContact CG-CB 4.3Å; P54-P140 HydrophobicContact CG-CG 4.27Å
55V98.6Very high96.6Very high36 Ų3640.5 Ų40.522%0.21825%0.245CC..SBendtrans-78.2-25.1-170.7-60.50000114.2C44 D59 Y127 Y130C44-V55 VanDerWaalsContact SG-CG1 3.55Å; V55-D59 HydrophobicContact CG2-CB 3.92Å; V55-D59 PolarHBondContact N-OD2 3.3Å; V55-Y127 HydrophobicContact CB-CD1 4.02Å; V55-Y127 HydrophobicContact CB-CE1 3.79Å; V55-Y127 HydrophobicContact CB-CE2 4.4Å; V55-Y127 HydrophobicContact CB-CG 4.4Å; V55-Y127 HydrophobicContact CG1-CD1 4.45Å; V55-Y127 HydrophobicContact CG1-CE1 4.32Å; V55-Y127 HydrophobicContact CG2-CD1 3.69Å; V55-Y127 HydrophobicContact CG2-CD2 3.85Å; V55-Y127 HydrophobicContact CG2-CE1 3.95Å; V55-Y127 HydrophobicContact CG2-CE2 4.15Å; V55-Y127 HydrophobicContact CG2-CG 3.64Å; V55-Y130 HydrophobicContact CG1-CD1 4.21Å; V55-Y130 HydrophobicContact CG1-CE1 3.8Å
56D98.7Very high96.6Very high23 Ų2342 Ų4212%0.12325%0.254CS..SBendtrans-160.8-174.9175.776.6-0.2000111.5Y42 T58 D59 W60 Y127Y42-D56 WeakPolarHBondContact CE1-OD1 3.31Å; Y42-D56 PolarHBondContact OH-OD2 2.97Å; D56-T58 VanDerWaalsContact C-N 3.28Å; D56-T58 PolarHBondContact O-N 3.41Å; D56-T58 WeakPolarHBondContact OD1-CA 3.24Å; D56-T58 VanDerWaalsContact OD1-CB 3.24Å; D56-T58 WeakPolarHBondContact OD1-CB 3.48Å; D56-T58 PolarHBondContact OD1-N 2.94Å; D56-D59 PolarHBondContact O-N 2.99Å; D56-D59 PolarHBondContact OD1-N 3.42Å; D56-W60 PolarHBondContact O-N 2.03Å; D56-Y127 HydrophobicContact CB-CE2 4.2Å
57Q98.8Very high96.7Very high102 Ų10242 Ų4248%0.47725%0.253SS..Hα-helixtrans-67.6-24-180-62.5-58.299.400114.2C61 N119Q57-C61 PolarHBondContact O-N 2.67Å; Q57-C61 PolarHBondContact O-SG 3.15Å; Q57-N119 HydrophobicContact CB-CB 4.2Å; Q57-N119 WeakPolarHBondContact CB-OD1 3.48Å
58T98.8Very high96.9Very high0 Ų040.6 Ų40.60%024%0.238CC..Hα-helixtrans-69.2-43.7173.4-55.60000109.6Y39 Y42 D56 W60 C61 F116 Y123Y39-T58 HydrophobicContact CD1-CG2 3.89Å; Y39-T58 HydrophobicContact CE1-CG2 3.65Å; Y42-T58 HydrophobicContact CD1-CG2 3.98Å; Y42-T58 HydrophobicContact CE1-CG2 3.83Å; D56-T58 VanDerWaalsContact C-N 3.28Å; D56-T58 PolarHBondContact O-N 3.41Å; D56-T58 WeakPolarHBondContact OD1-CA 3.24Å; D56-T58 VanDerWaalsContact OD1-CB 3.24Å; D56-T58 WeakPolarHBondContact OD1-CB 3.48Å; D56-T58 PolarHBondContact OD1-N 2.94Å; T58-W60 VanDerWaalsContact C-N 3.31Å; T58-W60 PolarHBondContact O-N 2.97Å; T58-C61 WeakPolarHBondContact O-CB 3.4Å; T58-C61 PolarHBondContact O-N 3.39Å; T58-F116 HydrophobicContact CG2-CD1 3.87Å; T58-F116 HydrophobicContact CG2-CE1 4.14Å; T58-Y123 HydrophobicContact CG2-CD2 4.12Å
59D98.8Very high97.4Very high0 Ų034.2 Ų34.20%020%0.198CC..Hα-helixtrans-65.8-34.4178.1-160.125.8000111.9C44 Y45 P54 V55 D56 C61 C62 H63C44-D59 WeakPolarHBondContact CB-OD2 3.25Å; C44-D59 VanDerWaalsContact N-CG 3.26Å; C44-D59 PolarHBondContact N-OD1 3.25Å; C44-D59 VanDerWaalsContact N-OD1 3.07Å; C44-D59 PolarHBondContact N-OD2 3.28Å; Y45-D59 WeakPolarHBondContact CB-OD1 3.44Å; Y45-D59 PolarHBondContact N-OD1 2.95Å; P54-D59 WeakPolarHBondContact CA-OD2 3.48Å; P54-D59 HydrophobicContact CB-CB 3.95Å; V55-D59 HydrophobicContact CG2-CB 3.92Å; V55-D59 PolarHBondContact N-OD2 3.3Å; D56-D59 PolarHBondContact O-N 2.99Å; D56-D59 PolarHBondContact OD1-N 3.42Å; D59-C61 VanDerWaalsContact C-N 3.28Å; D59-C61 PolarHBondContact O-N 3.14Å; D59-C62 WeakPolarHBondContact O-CB 3.38Å; D59-C62 PolarHBondContact O-N 3.48Å; D59-H63 PolarHBondContact O-N 3.24Å
60W98.8Very high98Very high69 Ų6933 Ų3326%0.26119%0.185SC..Hα-helixtrans-60.7-32.6169.5-83.8109.9000113.8W53 P54 D56 T58 C62 H63 A64 P140W53-W60 HydrophobicContact CD2-CZ2 4.4Å; W53-W60 AromaticContact CE2-CZ2 3.83Å; W53-W60 HydrophobicContact CH2-CH2 4.27Å; W53-W60 HydrophobicContact CH2-CZ2 4.05Å; W53-W60 HydrophobicContact CZ2-CH2 4.34Å; W53-W60 AromaticContact CZ2-CZ2 3.66Å; W53-W60 HydrophobicContact CZ2-CZ2 3.66Å; P54-W60 HydrophobicContact CB-CD2 3.88Å; P54-W60 HydrophobicContact CB-CG 3.9Å; P54-W60 HydrophobicContact CB-CZ2 4.44Å; P54-W60 HydrophobicContact CG-CD2 3.59Å; P54-W60 HydrophobicContact CG-CE3 3.81Å; P54-W60 HydrophobicContact CG-CG 4.13Å; P54-W60 HydrophobicContact CG-CH2 4.05Å; P54-W60 HydrophobicContact CG-CZ2 3.81Å; P54-W60 HydrophobicContact CG-CZ3 4.03Å; D56-W60 PolarHBondContact O-N 2.03Å; T58-W60 VanDerWaalsContact C-N 3.31Å; T58-W60 PolarHBondContact O-N 2.97Å; W60-C62 PolarHBondContact O-N 3Å; W60-H63 HydrophobicContact CE3-CB 4.28Å; W60-H63 AromaticContact CE3-ND1 3.91Å; W60-H63 AromaticContact CZ3-ND1 3.79Å; W60-A64 WeakPolarHBondContact O-CB 3.45Å; W60-A64 PolarHBondContact O-N 3.36Å; W60-P140 HydrophobicContact CH2-CB 3.57Å; W60-P140 HydrophobicContact CH2-CG 3.36Å; W60-P140 HydrophobicContact CZ2-CG 4.15Å; W60-P140 HydrophobicContact CZ3-CB 3.84Å; W60-P140 HydrophobicContact CZ3-CG 3.85Å
61C98.8Very high98.3Very high3 Ų337.1 Ų37.12%0.0219%0.189CC..Hα-helixtrans-62.7-35.2173.4-56.10000111.2Q57 T58 D59 H65 C115 F116 N119Q57-C61 PolarHBondContact O-N 2.67Å; Q57-C61 PolarHBondContact O-SG 3.15Å; T58-C61 WeakPolarHBondContact O-CB 3.4Å; T58-C61 PolarHBondContact O-N 3.39Å; D59-C61 VanDerWaalsContact C-N 3.28Å; D59-C61 PolarHBondContact O-N 3.14Å; C61-H65 WeakPolarHBondContact O-CB 3.33Å; C61-H65 PolarHBondContact O-N 3.15Å; C61-C115 HydrophobicContact CB-CB 3.66Å; C61-C115 WeakPolarHBondContact CB-SG 3.25Å; C61-C115 WeakPolarHBondContact SG-CB 3.24Å; C61-C115 CovalentContact SG-SG 2.03Å; C61-C115 PolarHBondContact SG-SG 3.37Å; C61-F116 HydrophobicContact CB-CD1 3.61Å; C61-F116 HydrophobicContact CB-CE1 3.43Å; C61-F116 VanDerWaalsContact CB-CE1 3.43Å; C61-F116 HydrophobicContact CB-CZ 4.38Å; C61-N119 PolarHBondContact SG-ND2 2.93Å
62C98.7Very high98.5Very high6 Ų634.8 Ų34.84%0.04117%0.173CC..Hα-helixtrans-75.7-42.6179.1-60.10000112.1C46 D59 W60 A64 H65 D66 F116C46-C62 WeakPolarHBondContact CA-SG 3.29Å; C46-C62 HydrophobicContact CB-CB 3.7Å; C46-C62 WeakPolarHBondContact CB-SG 3.44Å; C46-C62 WeakPolarHBondContact SG-CB 3.45Å; C46-C62 CovalentContact SG-SG 2.01Å; C46-C62 PolarHBondContact SG-SG 2.99Å; D59-C62 WeakPolarHBondContact O-CB 3.38Å; D59-C62 PolarHBondContact O-N 3.48Å; W60-C62 PolarHBondContact O-N 3Å; C62-A64 VanDerWaalsContact C-N 3.28Å; C62-A64 PolarHBondContact O-N 3Å; C62-H65 CarbonylContact O-C 3.59Å; C62-H65 WeakPolarHBondContact O-CA 3.48Å; C62-H65 WeakPolarHBondContact O-CB 3.32Å; C62-H65 PolarHBondContact O-N 3.05Å; C62-D66 PolarHBondContact O-N 2.6Å; C62-F116 WeakPolarHBondContact SG-CE1 2.89Å; C62-F116 VanDerWaalsContact SG-CZ 3.52Å
63H98.8Very high98.4Very high14 Ų1436.9 Ų36.97%0.06518%0.181CC..Hα-helixtrans-53.2-47.6169.8171.1-84.3000111.4Y45 P54 D59 W60 H65 D66 C67 P140 P141Y45-H63 HydrophobicContact CD1-CB 3.82Å; Y45-H63 HydrophobicContact CD2-CB 4.2Å; Y45-H63 HydrophobicContact CE1-CB 4.14Å; Y45-H63 AromaticContact CE1-CD2 3.47Å; Y45-H63 VanDerWaalsContact CE1-CD2 3.47Å; Y45-H63 WeakPolarHBondContact CE1-CD2 3.2Å; Y45-H63 HydrophobicContact CE2-CB 4.49Å; Y45-H63 HydrophobicContact CG-CB 3.86Å; Y45-H63 AromaticContact CZ-CD2 3.66Å; P54-H63 HydrophobicContact CG-CB 4.3Å; D59-H63 PolarHBondContact O-N 3.24Å; W60-H63 HydrophobicContact CE3-CB 4.28Å; W60-H63 AromaticContact CE3-ND1 3.91Å; W60-H63 AromaticContact CZ3-ND1 3.79Å; H63-H65 VanDerWaalsContact C-N 3.3Å; H63-H65 PolarHBondContact O-N 3.08Å; H63-D66 PolarHBondContact O-N 3.43Å; H63-C67 VanDerWaalsContact CE1-SG 3.6Å; H63-C67 PolarHBondContact O-N 3.17Å; H63-C67 PolarHBondContact O-SG 3.02Å; H63-P140 PolarHBondContact NE2-O 3.04Å; H63-P141 PolarHBondContact CE1-O 3.05Å; H63-P141 VanDerWaalsContact CE1-O 3.25Å
64A98.8Very high98.4Very high52 Ų5239.4 Ų39.443%0.4320%0.196SC..Hα-helixtrans-65.5-32.8177.400000113.1W60 C62 C68W60-A64 WeakPolarHBondContact O-CB 3.45Å; W60-A64 PolarHBondContact O-N 3.36Å; C62-A64 VanDerWaalsContact C-N 3.28Å; C62-A64 PolarHBondContact O-N 3Å; A64-C68 WeakPolarHBondContact O-CB 3.39Å; A64-C68 PolarHBondContact O-N 3.14Å
65H98.4Very high98.3Very high20 Ų2045 Ų459%0.09322%0.224CC..Hα-helixtrans-67.5-46.3175.4-178.5-111.7000111.5F24 C61 C62 H63 C67 C68 Y69 D109 A112F24-H65 AromaticContact CE1-CE1 3.65Å; F24-H65 AromaticContact CE1-NE2 3.87Å; C61-H65 WeakPolarHBondContact O-CB 3.33Å; C61-H65 PolarHBondContact O-N 3.15Å; C62-H65 CarbonylContact O-C 3.59Å; C62-H65 WeakPolarHBondContact O-CA 3.48Å; C62-H65 WeakPolarHBondContact O-CB 3.32Å; C62-H65 PolarHBondContact O-N 3.05Å; H63-H65 VanDerWaalsContact C-N 3.3Å; H63-H65 PolarHBondContact O-N 3.08Å; H65-C67 VanDerWaalsContact C-N 3.33Å; H65-C67 PolarHBondContact O-N 2.04Å; H65-C68 CarbonylContact O-C 3.59Å; H65-C68 WeakPolarHBondContact O-CA 3.4Å; H65-C68 VanDerWaalsContact O-CB 3.24Å; H65-C68 WeakPolarHBondContact O-CB 3.01Å; H65-C68 PolarHBondContact O-N 3.32Å; H65-Y69 AromaticContact CE1-CE1 3.57Å; H65-Y69 AromaticContact CE1-CE2 3.74Å; H65-Y69 AromaticContact CE1-CZ 3.36Å; H65-Y69 AromaticContact NE2-CD1 3.81Å; H65-Y69 AromaticContact NE2-CE1 3.17Å; H65-Y69 WeakPolarHBondContact NE2-CE1 3.28Å; H65-Y69 AromaticContact NE2-CZ 3.37Å; H65-Y69 PolarHBondContact NE2-OH 3.09Å; H65-Y69 PolarHBondContact O-N 3.37Å; H65-D109 IonicContact CD2-OD1 3.68Å; H65-D109 IonicContact CE1-OD1 3.69Å; H65-D109 IonicContact NE2-OD1 2.71Å; H65-D109 PolarHBondContact NE2-OD1 2.81Å; H65-A112 HydrophobicContact CB-CB 4Å
66D98.3Very high98.3Very high43 Ų4346.6 Ų46.623%0.2325%0.248CC..Hα-helixtrans-59.6-43.9174.2-70-32.1000111.2C62 H63 C68 Y69 G70C62-D66 PolarHBondContact O-N 2.6Å; H63-D66 PolarHBondContact O-N 3.43Å; D66-C68 VanDerWaalsContact C-N 3.26Å; D66-C68 PolarHBondContact O-N 2.84Å; D66-Y69 PolarHBondContact O-N 3.48Å; D66-G70 PolarHBondContact O-N 3.23Å
67C98.5Very high98.2Very high9 Ų946 Ų466%0.06125%0.246CC..Hα-helixtrans-60.9-35.8173-69.80000112.5H63 H65 R71 C142H63-C67 VanDerWaalsContact CE1-SG 3.6Å; H63-C67 PolarHBondContact O-N 3.17Å; H63-C67 PolarHBondContact O-SG 3.02Å; H65-C67 VanDerWaalsContact C-N 3.33Å; H65-C67 PolarHBondContact O-N 2.04Å; C67-R71 WeakPolarHBondContact O-CG 3.19Å; C67-R71 PolarHBondContact O-N 2.04Å; C67-R71 VanDerWaalsContact O-N 3.16Å; C67-C142 WeakPolarHBondContact CA-SG 3.32Å; C67-C142 HydrophobicContact CB-CB 3.67Å; C67-C142 WeakPolarHBondContact CB-SG 3.44Å; C67-C142 WeakPolarHBondContact SG-CA 2.76Å; C67-C142 WeakPolarHBondContact SG-CB 3.47Å; C67-C142 CovalentContact SG-SG 2.03Å; C67-C142 PolarHBondContact SG-SG 2.99Å
68C98.5Very high98.1Very high8 Ų847.1 Ų47.15%0.05425%0.251CS..Hα-helixtrans-67.3-47.3175.7-161.40000111.1A64 H65 D66 G70 R71 V72 C108A64-C68 WeakPolarHBondContact O-CB 3.39Å; A64-C68 PolarHBondContact O-N 3.14Å; H65-C68 CarbonylContact O-C 3.59Å; H65-C68 WeakPolarHBondContact O-CA 3.4Å; H65-C68 VanDerWaalsContact O-CB 3.24Å; H65-C68 WeakPolarHBondContact O-CB 3.01Å; H65-C68 PolarHBondContact O-N 3.32Å; D66-C68 VanDerWaalsContact C-N 3.26Å; D66-C68 PolarHBondContact O-N 2.84Å; C68-G70 PolarHBondContact O-N 3.07Å; C68-R71 WeakPolarHBondContact O-CB 3.28Å; C68-R71 PolarHBondContact O-N 3.28Å; C68-R71 VanDerWaalsContact O-N 3.16Å; C68-V72 WeakPolarHBondContact O-CG2 3.43Å; C68-V72 PolarHBondContact O-N 2.83Å; C68-C108 HydrophobicContact CB-CB 3.71Å; C68-C108 WeakPolarHBondContact CB-SG 3.44Å; C68-C108 WeakPolarHBondContact SG-CA 3.34Å; C68-C108 WeakPolarHBondContact SG-CB 3.45Å; C68-C108 CovalentContact SG-SG 2.04Å; C68-C108 PolarHBondContact SG-SG 3.48Å
69Y97.6Very high97.9Very high9 Ų947.1 Ų47.14%0.03525%0.251CS..Hα-helixtrans-60-44.9175.3-87.524.6000111.7N20 H65 D66 R71 V72 E73 P79 K80 T105 C108 D109N20-Y69 PolarHBondContact ND2-OH 2.03Å; H65-Y69 AromaticContact CE1-CE1 3.57Å; H65-Y69 AromaticContact CE1-CE2 3.74Å; H65-Y69 AromaticContact CE1-CZ 3.36Å; H65-Y69 AromaticContact NE2-CD1 3.81Å; H65-Y69 AromaticContact NE2-CE1 3.17Å; H65-Y69 WeakPolarHBondContact NE2-CE1 3.28Å; H65-Y69 AromaticContact NE2-CZ 3.37Å; H65-Y69 PolarHBondContact NE2-OH 3.09Å; H65-Y69 PolarHBondContact O-N 3.37Å; D66-Y69 PolarHBondContact O-N 3.48Å; Y69-R71 VanDerWaalsContact C-N 3.25Å; Y69-R71 PolarHBondContact O-N 2.82Å; Y69-V72 CarbonylContact O-C 3.54Å; Y69-V72 WeakPolarHBondContact O-CA 3.44Å; Y69-V72 PolarHBondContact O-N 3.46Å; Y69-E73 WeakPolarHBondContact O-CG 3.47Å; Y69-E73 PolarHBondContact O-N 3.06Å; Y69-P79 HydrophobicContact CD1-CB 3.84Å; Y69-P79 HydrophobicContact CD1-CG 4.26Å; Y69-P79 HydrophobicContact CD2-CB 3.9Å; Y69-P79 HydrophobicContact CD2-CG 3.84Å; Y69-P79 HydrophobicContact CE1-CB 3.95Å; Y69-P79 HydrophobicContact CE2-CB 4.03Å; Y69-P79 HydrophobicContact CE2-CG 4.41Å; Y69-P79 HydrophobicContact CG-CB 3.81Å; Y69-P79 HydrophobicContact CG-CG 3.76Å; Y69-K80 HydrophobicContact CD2-CG 4.1Å; Y69-K80 HydrophobicContact CE2-CG 3.97Å; Y69-T105 HydrophobicContact CE1-CG2 4.16Å; Y69-C108 HydrophobicContact CD1-CB 3.89Å; Y69-C108 HydrophobicContact CE1-CB 3.84Å; Y69-D109 VanDerWaalsContact CE1-OD1 3.28Å; Y69-D109 WeakPolarHBondContact CE1-OD1 3.3Å; Y69-D109 PolarHBondContact OH-OD1 2.71Å; Y69-D109 PolarHBondContact OH-OD2 2.88Å
70G97.5Very high97.6Very high23 Ų2352.2 Ų52.224%0.23727%0.273CS..Hα-helixtrans-60.3-32.8176.300000113.3D66 C68 K74D66-G70 PolarHBondContact O-N 3.23Å; C68-G70 PolarHBondContact O-N 3.07Å; G70-K74 VanDerWaalsContact O-CG 3.28Å; G70-K74 WeakPolarHBondContact O-CG 3.48Å; G70-K74 PolarHBondContact O-N 2.01Å
71R98.4Very high97.3Very high126 Ų12654 Ų5448%0.47529%0.288SS..Hα-helixtrans-70.5-39.7171.3-73.5-174.6-63.2-94.8-1.7112.2C67 C68 Y69 K74 L75C67-R71 WeakPolarHBondContact O-CG 3.19Å; C67-R71 PolarHBondContact O-N 2.04Å; C67-R71 VanDerWaalsContact O-N 3.16Å; C68-R71 WeakPolarHBondContact O-CB 3.28Å; C68-R71 PolarHBondContact O-N 3.28Å; C68-R71 VanDerWaalsContact O-N 3.16Å; Y69-R71 VanDerWaalsContact C-N 3.25Å; Y69-R71 PolarHBondContact O-N 2.82Å; R71-K74 PolarHBondContact O-N 3.39Å; R71-L75 PolarHBondContact O-N 3.34Å
72V97.7Very high97.1Very high5 Ų555.7 Ų55.73%0.0330%0.295CS..Hα-helixtrans-67.6-39.4177.6173.60000111.1C68 Y69 K74 L75 C77 P79 Q104C68-V72 WeakPolarHBondContact O-CG2 3.43Å; C68-V72 PolarHBondContact O-N 2.83Å; Y69-V72 CarbonylContact O-C 3.54Å; Y69-V72 WeakPolarHBondContact O-CA 3.44Å; Y69-V72 PolarHBondContact O-N 3.46Å; V72-K74 VanDerWaalsContact C-N 3.33Å; V72-K74 PolarHBondContact O-N 3.32Å; V72-L75 WeakPolarHBondContact O-CB 3.42Å; V72-L75 PolarHBondContact O-N 2.99Å; V72-C77 HydrophobicContact CG1-CB 3.52Å; V72-C77 WeakPolarHBondContact O-CB 3.39Å; V72-C77 PolarHBondContact O-N 3.3Å; V72-P79 HydrophobicContact CB-CB 4.47Å; V72-P79 HydrophobicContact CB-CG 4.41Å; V72-P79 HydrophobicContact CG1-CB 4.02Å; V72-P79 HydrophobicContact CG1-CG 4.22Å; V72-Q104 HydrophobicContact CG1-CB 4.42Å; V72-Q104 HydrophobicContact CG2-CB 3.88Å
73E97.8Very high97Very high91 Ų9160.2 Ų60.243%0.42531%0.314SS..Hα-helixtrans-60.4-40.7172.8-73.1171.4173.200111.8Y69 L75 G76 C77 P79Y69-E73 WeakPolarHBondContact O-CG 3.47Å; Y69-E73 PolarHBondContact O-N 3.06Å; E73-L75 PolarHBondContact O-N 3.11Å; E73-L75 VanDerWaalsContact O-N 3.13Å; E73-G76 WeakPolarHBondContact O-CA 3.47Å; E73-G76 PolarHBondContact O-N 2.84Å; E73-C77 WeakPolarHBondContact CA-O 3.41Å; E73-P79 VanDerWaalsContact CG-CD 3.48Å; E73-P79 HydrophobicContact CG-CG 3.69Å
74K98.2Very high96.8Very high184 Ų18459.9 Ų59.980%0.831%0.312SS*.THydrogen-bonded Turntrans-62.6-17.1173.9-74.3172.1-176179.70113.9G70 R71 V72 G76G70-K74 VanDerWaalsContact O-CG 3.28Å; G70-K74 WeakPolarHBondContact O-CG 3.48Å; G70-K74 PolarHBondContact O-N 2.01Å; R71-K74 PolarHBondContact O-N 3.39Å; V72-K74 VanDerWaalsContact C-N 3.33Å; V72-K74 PolarHBondContact O-N 3.32Å; K74-G76 VanDerWaalsContact C-N 3.28Å
75L96.1Very high96.7Very high122 Ų12263.2 Ų63.264%0.63932%0.322SS*.THydrogen-bonded Turntrans-86.12.3172-58.7174.1000112.8R71 V72 E73R71-L75 PolarHBondContact O-N 3.34Å; V72-L75 WeakPolarHBondContact O-CB 3.42Å; V72-L75 PolarHBondContact O-N 2.99Å; E73-L75 PolarHBondContact O-N 3.11Å; E73-L75 VanDerWaalsContact O-N 3.13Å
76G97.9Very high96.6Very high70 Ų7064.7 Ų64.772%0.72233%0.328SS*.THydrogen-bonded Turntrans83.716.9-177.500000114.1E73 K74E73-G76 WeakPolarHBondContact O-CA 3.47Å; E73-G76 PolarHBondContact O-N 2.84Å; K74-G76 VanDerWaalsContact C-N 3.28Å
77C97.4Very high96.4Very high10 Ų1065.8 Ų65.87%0.06834%0.34CS..  trans-94.4161.5177.7-58.20000111.8V72 E73 P79 C101V72-C77 HydrophobicContact CG1-CB 3.52Å; V72-C77 WeakPolarHBondContact O-CB 3.39Å; V72-C77 PolarHBondContact O-N 3.3Å; E73-C77 WeakPolarHBondContact CA-O 3.41Å; C77-P79 VanDerWaalsContact O-CD 3.31Å; C77-P79 WeakPolarHBondContact O-CD 3.06Å; C77-C101 VanDerWaalsContact CA-SG 3.56Å; C77-C101 HydrophobicContact CB-CB 3.53Å; C77-C101 WeakPolarHBondContact CB-SG 3.37Å; C77-C101 WeakPolarHBondContact SG-CA 3.05Å; C77-C101 WeakPolarHBondContact SG-CB 3.21Å; C77-C101 CovalentContact SG-SG 2.03Å; C77-C101 PolarHBondContact SG-SG 2.93Å
78E96.1Very high96Very high125 Ų12568.1 Ų68.158%0.58435%0.353SS*.  trans-116.373.5176-63.4-175.4126.400110.8K80 L81 E82E78-K80 PolarHBondContact O-N 3.14Å; E78-L81 HydrophobicContact CB-CB 4.18Å; E78-L81 HydrophobicContact CB-CD1 4.23Å; E78-L81 HydrophobicContact CB-CG 4.35Å; E78-L81 WeakPolarHBondContact O-CA 3.34Å; E78-L81 PolarHBondContact O-N 3Å; E78-E82 WeakPolarHBondContact O-CG 3.45Å; E78-E82 PolarHBondContact O-N 3.5Å
79P95Very high95.4Very high0 Ų069.2 Ų69.20%037%0.366CS..THydrogen-bonded Turntrans-59.8-25-166.123.9-34.2000114.6N20 Y69 V72 E73 C77 L81 T105N20-P79 WeakPolarHBondContact CB-O 3.47Å; N20-P79 PolarHBondContact ND2-O 3.44Å; Y69-P79 HydrophobicContact CD1-CB 3.84Å; Y69-P79 HydrophobicContact CD1-CG 4.26Å; Y69-P79 HydrophobicContact CD2-CB 3.9Å; Y69-P79 HydrophobicContact CD2-CG 3.84Å; Y69-P79 HydrophobicContact CE1-CB 3.95Å; Y69-P79 HydrophobicContact CE2-CB 4.03Å; Y69-P79 HydrophobicContact CE2-CG 4.41Å; Y69-P79 HydrophobicContact CG-CB 3.81Å; Y69-P79 HydrophobicContact CG-CG 3.76Å; V72-P79 HydrophobicContact CB-CB 4.47Å; V72-P79 HydrophobicContact CB-CG 4.41Å; V72-P79 HydrophobicContact CG1-CB 4.02Å; V72-P79 HydrophobicContact CG1-CG 4.22Å; E73-P79 VanDerWaalsContact CG-CD 3.48Å; E73-P79 HydrophobicContact CG-CG 3.69Å; C77-P79 VanDerWaalsContact O-CD 3.31Å; C77-P79 WeakPolarHBondContact O-CD 3.06Å; P79-L81 VanDerWaalsContact C-N 3.26Å; P79-L81 PolarHBondContact O-N 2.83Å; P79-T105 WeakPolarHBondContact CA-OG1 3.34Å; P79-T105 HydrophobicContact CB-CG2 3.86Å; P79-T105 VanDerWaalsContact O-CG2 3.25Å; P79-T105 WeakPolarHBondContact O-CG2 3.37Å
80K91.8Very high94.4Very high107 Ų10780.2 Ų80.247%0.46541%0.407SS..THydrogen-bonded Turntrans-70.5-22.2174.2-65.8176-178.7171.30113Y69 E78Y69-K80 HydrophobicContact CD2-CG 4.1Å; Y69-K80 HydrophobicContact CE2-CG 3.97Å; E78-K80 PolarHBondContact O-N 3.14Å
81L93.3Very high93.4Very high108 Ų10883.5 Ų83.557%0.56542%0.419SS*.THydrogen-bonded Turntrans-106.9-22.5-178-55.4-177.5000112.9E78 P79 K83E78-L81 HydrophobicContact CB-CB 4.18Å; E78-L81 HydrophobicContact CB-CD1 4.23Å; E78-L81 HydrophobicContact CB-CG 4.35Å; E78-L81 WeakPolarHBondContact O-CA 3.34Å; E78-L81 PolarHBondContact O-N 3Å; P79-L81 VanDerWaalsContact C-N 3.26Å; P79-L81 PolarHBondContact O-N 2.83Å; L81-K83 PolarHBondContact O-N 2.93Å
82E94.8Very high92.9Very high37 Ų3780.9 Ų80.917%0.17342%0.418CS..  trans-59.9117.5-177.4-72.5-59.4167.200113.5N20 E78 C101 Q102 T105N20-E82 WeakPolarHBondContact CB-O 3.34Å; E78-E82 WeakPolarHBondContact O-CG 3.45Å; E78-E82 PolarHBondContact O-N 3.5Å; E82-C101 VanDerWaalsContact CD-CB 3.48Å; E82-C101 HydrophobicContact CG-CB 3.97Å; E82-C101 WeakPolarHBondContact OE1-CB 3.46Å; E82-Q102 VanDerWaalsContact OE2-CG 3.29Å; E82-Q102 WeakPolarHBondContact OE2-CG 2.91Å; E82-T105 HydrophobicContact CB-CG2 4.13Å
83K96.1Very high92.7Very high101 Ų10180.8 Ų80.844%0.43942%0.417SS..  trans-89.7119.6172.3-65.8177.1-176.1174.20110.6D18 L81 Q102D18-K83 WeakPolarHBondContact O-CE 3.39Å; D18-K83 PolarHBondContact O-NZ 3.35Å; D18-K83 VanDerWaalsContact O-NZ 3.08Å; L81-K83 PolarHBondContact O-N 2.93Å; K83-Q102 VanDerWaalsContact O-CG 3.23Å; K83-Q102 WeakPolarHBondContact O-CG 3.45Å; K83-Q102 PolarHBondContact O-NE2 2.97Å
84Y95.6Very high92.7Very high7 Ų782.4 Ų82.43%0.02742%0.423CS..  trans-116.9175.3175.459.5-110.1000112.8N20 Q23 F24 M27 F86 Q102 T105 C106 D109N20-Y84 WeakPolarHBondContact OD1-CE1 3.36Å; N20-Y84 PolarHBondContact OD1-OH 3.24Å; Q23-Y84 HydrophobicContact CB-CD2 4.36Å; Q23-Y84 HydrophobicContact CB-CE2 3.68Å; Q23-Y84 HydrophobicContact CG-CE2 4.31Å; Q23-Y84 PolarHBondContact NE2-O 2.84Å; F24-Y84 PolarHBondContact N-OH 3.09Å; M27-Y84 HydrophobicContact CE-CE2 3.83Å; Y84-F86 HydrophobicContact CD2-CB 4.44Å; Y84-F86 HydrophobicContact CD2-CD1 4.25Å; Y84-F86 HydrophobicContact CE2-CB 4.35Å; Y84-F86 AromaticContact CE2-CD1 3.79Å; Y84-F86 HydrophobicContact CE2-CD1 3.79Å; Y84-F86 HydrophobicContact CE2-CG 4.37Å; Y84-Q102 WeakPolarHBondContact CB-O 3.26Å; Y84-T105 HydrophobicContact CD1-CG2 4.09Å; Y84-T105 HydrophobicContact CE1-CG2 3.96Å; Y84-C106 HydrophobicContact CD1-CB 3.68Å; Y84-C106 HydrophobicContact CD2-CB 3.59Å; Y84-C106 VanDerWaalsContact CD2-SG 3.54Å; Y84-C106 VanDerWaalsContact CE1-CA 3.48Å; Y84-C106 HydrophobicContact CE1-CB 3.93Å; Y84-C106 HydrophobicContact CE2-CB 3.94Å; Y84-C106 HydrophobicContact CG-CB 3.5Å; Y84-C106 VanDerWaalsContact CG-CB 3.5Å; Y84-D109 HydrophobicContact CE1-CB 4.45Å; Y84-D109 WeakPolarHBondContact CE1-OD2 2.99Å; Y84-D109 VanDerWaalsContact CZ-OD2 3.28Å; Y84-D109 VanDerWaalsContact OH-CB 3.26Å; Y84-D109 WeakPolarHBondContact OH-CB 3.48Å; Y84-D109 PolarHBondContact OH-OD2 2.96Å
85L95.5Very high92.6Very high123 Ų12375.1 Ų75.164%0.64440%0.395SS*.EExtended strand (participates in β ladder)trans-109.9143.5172.2-63.2174.6000109.2A96L85-A96 HydrophobicContact CB-CB 4.04Å; L85-A96 PolarHBondContact N-O 3.15Å; L85-A96 CarbonylContact O-C 3.59Å; L85-A96 PolarHBondContact O-N 3.34Å
86F96.4Very high92.5Very high51 Ų5171.5 Ų71.522%0.22438%0.382CS..EExtended strand (participates in β ladder)trans-146.9160170.974.9-78.4000111Q23 V26 M27 Y84 V88 I93 F94Q23-F86 HydrophobicContact CB-CD1 4.47Å; Q23-F86 HydrophobicContact CB-CE1 4.11Å; V26-F86 HydrophobicContact CB-CZ 4.12Å; V26-F86 HydrophobicContact CG1-CZ 3.88Å; M27-F86 HydrophobicContact CB-CE2 3.93Å; M27-F86 HydrophobicContact CB-CZ 3.94Å; M27-F86 HydrophobicContact CE-CB 4.08Å; M27-F86 HydrophobicContact CE-CD1 4.13Å; M27-F86 HydrophobicContact CE-CD2 3.86Å; M27-F86 HydrophobicContact CE-CE2 4.28Å; M27-F86 HydrophobicContact CE-CG 3.76Å; M27-F86 HydrophobicContact CG-CD2 4.35Å; M27-F86 HydrophobicContact CG-CE2 4.04Å; Y84-F86 HydrophobicContact CD2-CB 4.44Å; Y84-F86 HydrophobicContact CD2-CD1 4.25Å; Y84-F86 HydrophobicContact CE2-CB 4.35Å; Y84-F86 AromaticContact CE2-CD1 3.79Å; Y84-F86 HydrophobicContact CE2-CD1 3.79Å; Y84-F86 HydrophobicContact CE2-CG 4.37Å; F86-V88 HydrophobicContact CD2-CG2 3.86Å; F86-V88 HydrophobicContact CE2-CG2 3.63Å; F86-I93 HydrophobicContact CB-CG2 4.33Å; F86-I93 HydrophobicContact CD2-CG2 4.19Å; F86-F94 CarbonylContact C-O 3.42Å; F86-F94 WeakPolarHBondContact CA-O 2.95Å; F86-F94 WeakPolarHBondContact CB-O 3.24Å
87S94.3Very high92.4Very high66 Ų6668.8 Ų68.846%0.46235%0.354SS..EExtended strand (participates in β ladder)trans-133.4151.8167.963.80000110.3I93 F94S87-I93 WeakPolarHBondContact O-CA 3.41Å; S87-F94 PolarHBondContact N-O 3.34Å; S87-F94 PolarHBondContact O-N 2.72Å
88V90.2Very high92.4Very high58 Ų5879.4 Ų79.435%0.35239%0.393SS..EExtended strand (participates in β ladder)trans-113.6117.5-178.1-177.90000108.2R30 M31 F86R30-V88 HydrophobicContact CB-CG1 4.45Å; R30-V88 HydrophobicContact CB-CG2 4.11Å; R30-V88 HydrophobicContact CG-CG2 4.41Å; M31-V88 HydrophobicContact SD-CG1 3.83Å; F86-V88 HydrophobicContact CD2-CG2 3.86Å; F86-V88 HydrophobicContact CE2-CG2 3.63Å
89G85.8Confident92.5Very high31 Ų3176.4 Ų76.432%0.3238%0.383SS..  trans-85.6-165.416600000111.1D91 T92G89-D91 VanDerWaalsContact C-N 3.29Å; G89-D91 PolarHBondContact O-N 3.46Å; G89-T92 PolarHBondContact N-O 2.99Å
90R76.9Confident92.6Very high239 Ų23980.9 Ų80.990%0.90241%0.411SS*.SBendtrans-58.2-40.7-177.6-166.7177.5-71.4-179.8-1.9112.6
91D77.1Confident92.9Very high92 Ų9277.1 Ų77.149%0.49240%0.397SS..SBendtrans-144.412-179.4-72.6-64.1000114.3G89 R117G89-D91 VanDerWaalsContact C-N 3.29Å; G89-D91 PolarHBondContact O-N 3.46Å; D91-R117 VanDerWaalsContact CA-NH1 3.32Å; D91-R117 PolarHBondContact O-NH2 3.16Å; D91-R117 IonicContact OD1-CZ 2.71Å; D91-R117 IonicContact OD1-NH1 3.43Å; D91-R117 PolarHBondContact OD1-NH1 3.05Å
92T86.5Confident93.1Very high71 Ų7173.8 Ų73.844%0.43638%0.379SS..  trans-131.8142.1-169.249.20000110.3G89G89-T92 PolarHBondContact N-O 2.99Å
93I95.1Very high93.2Very high3 Ų378.4 Ų78.42%0.01540%0.395CS..EExtended strand (participates in β ladder)trans-110.6129.7175.9-57.8167.5000107.8M27 M31 F86 S87 K110 A113 L114M27-I93 HydrophobicContact CE-CG2 3.99Å; M27-I93 HydrophobicContact CG-CD1 3.66Å; M27-I93 HydrophobicContact SD-CD1 3.65Å; M27-I93 HydrophobicContact SD-CG2 4.04Å; M31-I93 HydrophobicContact CE-CD1 4.36Å; M31-I93 HydrophobicContact CE-CG1 4.4Å; M31-I93 HydrophobicContact CG-CD1 3.49Å; M31-I93 VanDerWaalsContact CG-CD1 3.49Å; M31-I93 HydrophobicContact CG-CG1 4.2Å; M31-I93 HydrophobicContact SD-CD1 3.59Å; M31-I93 VanDerWaalsContact SD-CD1 3.59Å; M31-I93 HydrophobicContact SD-CG1 3.6Å; M31-I93 VanDerWaalsContact SD-CG1 3.6Å; F86-I93 HydrophobicContact CB-CG2 4.33Å; F86-I93 HydrophobicContact CD2-CG2 4.19Å; S87-I93 WeakPolarHBondContact O-CA 3.41Å; I93-K110 HydrophobicContact CB-CB 4.38Å; I93-K110 HydrophobicContact CB-CD 3.86Å; I93-K110 HydrophobicContact CB-CG 3.87Å; I93-K110 HydrophobicContact CD1-CB 4.37Å; I93-K110 HydrophobicContact CD1-CG 4.17Å; I93-K110 HydrophobicContact CG2-CB 4.18Å; I93-K110 HydrophobicContact CG2-CD 4.1Å; I93-K110 HydrophobicContact CG2-CG 4.18Å; I93-K110 WeakPolarHBondContact O-CD 3.49Å; I93-K110 WeakPolarHBondContact O-CE 3.4Å; I93-K110 PolarHBondContact O-NZ 3.25Å; I93-A113 HydrophobicContact CD1-CB 4.23Å; I93-L114 HydrophobicContact CD1-CD2 4.42Å; I93-L114 HydrophobicContact CD1-CG 4.15Å
94F96.2Very high93.3Very high125 Ų12577.3 Ų77.355%0.54839%0.391SS..EExtended strand (participates in β ladder)trans-105.9121.9175-60.2-84.1000109F86 S87F86-F94 CarbonylContact C-O 3.42Å; F86-F94 WeakPolarHBondContact CA-O 2.95Å; F86-F94 WeakPolarHBondContact CB-O 3.24Å; S87-F94 PolarHBondContact N-O 3.34Å; S87-F94 PolarHBondContact O-N 2.72Å
95C97Very high93.4Very high32 Ų3277 Ų7722%0.21639%0.39CS..EExtended strand (participates in β ladder)trans-95.3138.2179.7-78.90000111.4C106 E107C95-C106 WeakPolarHBondContact CA-SG 3.17Å; C95-C106 HydrophobicContact CB-CB 3.62Å; C95-C106 WeakPolarHBondContact CB-SG 3.43Å; C95-C106 WeakPolarHBondContact SG-CB 2.94Å; C95-C106 PolarHBondContact SG-O 2.93Å; C95-C106 CovalentContact SG-SG 2.04Å; C95-C106 PolarHBondContact SG-SG 3.22Å; C95-E107 HydrophobicContact CB-CG 4.34Å; C95-E107 WeakPolarHBondContact CB-OE1 3.47Å
96A94.4Very high93.6Very high45 Ų4571.1 Ų71.137%0.37236%0.359SS..EExtended strand (participates in β ladder)trans-141152.7175.800000111L85L85-A96 HydrophobicContact CB-CB 4.04Å; L85-A96 PolarHBondContact N-O 3.15Å; L85-A96 CarbonylContact O-C 3.59Å; L85-A96 PolarHBondContact O-N 3.34Å
97G95.4Very high93.6Very high13 Ų1371 Ų7113%0.13436%0.36CS..  trans-174.9156.4-179.300000110.6R103G97-R103 VanDerWaalsContact O-CZ 3.3Å; G97-R103 PolarHBondContact O-NE 2.83Å; G97-R103 PolarHBondContact O-NH2 3.27Å
98R97.2Very high93.8Very high233 Ų23368 Ų6888%0.87934%0.338SS*.SBendtrans-74.5-42.1174.3-67.8-176.8176.2-170.5-1.1110.7
99T97.4Very high94.2Very high62 Ų6265.2 Ų65.238%0.3832%0.322SS..SBendtrans-101.6161.6-176.472.50000112.1C101 Q102 R103T99-C101 VanDerWaalsContact C-N 3.29Å; T99-C101 PolarHBondContact OG1-N 3.16Å; T99-Q102 VanDerWaalsContact N-OE1 3.14Å; T99-Q102 VanDerWaalsContact OG1-CG 3.25Å; T99-Q102 WeakPolarHBondContact OG1-CG 3Å; T99-Q102 PolarHBondContact OG1-N 3Å; T99-Q102 VanDerWaalsContact OG1-N 3.13Å; T99-R103 WeakPolarHBondContact O-CG 3.42Å; T99-R103 PolarHBondContact O-N 3.35Å
100T97.6Very high94.8Very high95 Ų9565.9 Ų65.958%0.58332%0.316SS*.Hα-helixtrans-60.7-40.8170.6-57.30000111.1Q102 R103 Q104T100-Q102 PolarHBondContact O-N 2.94Å; T100-R103 PolarHBondContact O-N 3.16Å; T100-Q104 HydrophobicContact CG2-CG 3.93Å; T100-Q104 WeakPolarHBondContact O-CB 3.22Å; T100-Q104 VanDerWaalsContact O-CG 3.28Å; T100-Q104 WeakPolarHBondContact O-CG 2.93Å; T100-Q104 PolarHBondContact O-N 3.45Å
101C97.8Very high95.8Very high27 Ų2761.1 Ų61.118%0.18230%0.298CS..Hα-helixtrans-58-50178.5-63.20000111.9C77 E82 T99 R103 Q104 T105C77-C101 VanDerWaalsContact CA-SG 3.56Å; C77-C101 HydrophobicContact CB-CB 3.53Å; C77-C101 WeakPolarHBondContact CB-SG 3.37Å; C77-C101 WeakPolarHBondContact SG-CA 3.05Å; C77-C101 WeakPolarHBondContact SG-CB 3.21Å; C77-C101 CovalentContact SG-SG 2.03Å; C77-C101 PolarHBondContact SG-SG 2.93Å; E82-C101 VanDerWaalsContact CD-CB 3.48Å; E82-C101 HydrophobicContact CG-CB 3.97Å; E82-C101 WeakPolarHBondContact OE1-CB 3.46Å; T99-C101 VanDerWaalsContact C-N 3.29Å; T99-C101 PolarHBondContact OG1-N 3.16Å; C101-R103 VanDerWaalsContact C-N 3.31Å; C101-R103 PolarHBondContact O-N 3.25Å; C101-Q104 PolarHBondContact O-N 2.81Å; C101-T105 WeakPolarHBondContact O-CB 3.4Å; C101-T105 PolarHBondContact O-N 3.37Å; C101-T105 PolarHBondContact O-OG1 2.99Å
102Q97.2Very high96.8Very high38 Ų3856.9 Ų56.918%0.17828%0.276CS..Hα-helixtrans-56.2-44.7176.7-69.5172.3-20.400112.5E82 K83 Y84 T99 T100 C106E82-Q102 VanDerWaalsContact OE2-CG 3.29Å; E82-Q102 WeakPolarHBondContact OE2-CG 2.91Å; K83-Q102 VanDerWaalsContact O-CG 3.23Å; K83-Q102 WeakPolarHBondContact O-CG 3.45Å; K83-Q102 PolarHBondContact O-NE2 2.97Å; Y84-Q102 WeakPolarHBondContact CB-O 3.26Å; T99-Q102 VanDerWaalsContact N-OE1 3.14Å; T99-Q102 VanDerWaalsContact OG1-CG 3.25Å; T99-Q102 WeakPolarHBondContact OG1-CG 3Å; T99-Q102 PolarHBondContact OG1-N 3Å; T99-Q102 VanDerWaalsContact OG1-N 3.13Å; T100-Q102 PolarHBondContact O-N 2.94Å; Q102-C106 WeakPolarHBondContact O-CB 3.48Å; Q102-C106 PolarHBondContact O-N 3.47Å
103R97.8Very high97.4Very high135 Ų13553.5 Ų53.551%0.50926%0.255SS..Hα-helixtrans-68.5-43.5-179.4-66.7176-168.8175.84.1112.2G97 T99 T100 C101 C106 E107G97-R103 VanDerWaalsContact O-CZ 3.3Å; G97-R103 PolarHBondContact O-NE 2.83Å; G97-R103 PolarHBondContact O-NH2 3.27Å; T99-R103 WeakPolarHBondContact O-CG 3.42Å; T99-R103 PolarHBondContact O-N 3.35Å; T100-R103 PolarHBondContact O-N 3.16Å; C101-R103 VanDerWaalsContact C-N 3.31Å; C101-R103 PolarHBondContact O-N 3.25Å; R103-C106 PolarHBondContact O-N 3.35Å; R103-E107 WeakPolarHBondContact O-CG 3.34Å; R103-E107 PolarHBondContact O-N 3.42Å
104Q98.2Very high97.5Very high77 Ų7755.6 Ų55.636%0.3627%0.266SS..Hα-helixtrans-66.6-42.1180-69.4-65.3-15.700111.4V72 T100 C101 E107 C108V72-Q104 HydrophobicContact CG1-CB 4.42Å; V72-Q104 HydrophobicContact CG2-CB 3.88Å; T100-Q104 HydrophobicContact CG2-CG 3.93Å; T100-Q104 WeakPolarHBondContact O-CB 3.22Å; T100-Q104 VanDerWaalsContact O-CG 3.28Å; T100-Q104 WeakPolarHBondContact O-CG 2.93Å; T100-Q104 PolarHBondContact O-N 3.45Å; C101-Q104 PolarHBondContact O-N 2.81Å; Q104-E107 PolarHBondContact O-N 2.88Å; Q104-C108 PolarHBondContact O-N 3.03Å; Q104-C108 PolarHBondContact O-SG 3.28Å
105T98.2Very high97.6Very high0 Ų051.6 Ų51.60%025%0.253CS..Hα-helixtrans-59.2-47.5173.2-58.10000111.2N20 Y69 P79 E82 Y84 C101 E107 C108 D109N20-T105 WeakPolarHBondContact ND2-CG2 3.15Å; Y69-T105 HydrophobicContact CE1-CG2 4.16Å; P79-T105 WeakPolarHBondContact CA-OG1 3.34Å; P79-T105 HydrophobicContact CB-CG2 3.86Å; P79-T105 VanDerWaalsContact O-CG2 3.25Å; P79-T105 WeakPolarHBondContact O-CG2 3.37Å; E82-T105 HydrophobicContact CB-CG2 4.13Å; Y84-T105 HydrophobicContact CD1-CG2 4.09Å; Y84-T105 HydrophobicContact CE1-CG2 3.96Å; C101-T105 WeakPolarHBondContact O-CB 3.4Å; C101-T105 PolarHBondContact O-N 3.37Å; C101-T105 PolarHBondContact O-OG1 2.99Å; T105-E107 VanDerWaalsContact C-N 3.29Å; T105-E107 PolarHBondContact O-N 3.45Å; T105-C108 WeakPolarHBondContact O-CB 3.42Å; T105-C108 PolarHBondContact O-N 2.93Å; T105-C108 VanDerWaalsContact O-N 3.14Å; T105-D109 PolarHBondContact O-N 2.96Å
106C98.1Very high97.7Very high0 Ų050.3 Ų50.30%024%0.244CC..Hα-helixtrans-58.3-40.6175.5-174.40000112.6Y84 C95 Q102 R103 C108 D109 K110Y84-C106 HydrophobicContact CD1-CB 3.68Å; Y84-C106 HydrophobicContact CD2-CB 3.59Å; Y84-C106 VanDerWaalsContact CD2-SG 3.54Å; Y84-C106 VanDerWaalsContact CE1-CA 3.48Å; Y84-C106 HydrophobicContact CE1-CB 3.93Å; Y84-C106 HydrophobicContact CE2-CB 3.94Å; Y84-C106 HydrophobicContact CG-CB 3.5Å; Y84-C106 VanDerWaalsContact CG-CB 3.5Å; C95-C106 WeakPolarHBondContact CA-SG 3.17Å; C95-C106 HydrophobicContact CB-CB 3.62Å; C95-C106 WeakPolarHBondContact CB-SG 3.43Å; C95-C106 WeakPolarHBondContact SG-CB 2.94Å; C95-C106 PolarHBondContact SG-O 2.93Å; C95-C106 CovalentContact SG-SG 2.04Å; C95-C106 PolarHBondContact SG-SG 3.22Å; Q102-C106 WeakPolarHBondContact O-CB 3.48Å; Q102-C106 PolarHBondContact O-N 3.47Å; R103-C106 PolarHBondContact O-N 3.35Å; C106-C108 VanDerWaalsContact C-N 3.35Å; C106-D109 PolarHBondContact O-N 2.91Å; C106-K110 WeakPolarHBondContact O-CB 3.01Å; C106-K110 PolarHBondContact O-N 3.23Å
107E98.3Very high97.8Very high50 Ų5051.5 Ų51.523%0.23424%0.238CC..Hα-helixtrans-68.8-31.7178.6-74.8-65.2150.500112.6C95 R103 Q104 T105 K110 R111C95-E107 HydrophobicContact CB-CG 4.34Å; C95-E107 WeakPolarHBondContact CB-OE1 3.47Å; R103-E107 WeakPolarHBondContact O-CG 3.34Å; R103-E107 PolarHBondContact O-N 3.42Å; Q104-E107 PolarHBondContact O-N 2.88Å; T105-E107 VanDerWaalsContact C-N 3.29Å; T105-E107 PolarHBondContact O-N 3.45Å; E107-K110 IonicContact OE1-NZ 3.65Å; E107-K110 PolarHBondContact OE1-NZ 3.19Å; E107-K110 IonicContact OE2-NZ 3.17Å; E107-K110 PolarHBondContact OE2-NZ 2.84Å; E107-R111 VanDerWaalsContact O-CG 3.26Å; E107-R111 WeakPolarHBondContact O-CG 3.38Å; E107-R111 PolarHBondContact O-N 2.85Å; E107-R111 VanDerWaalsContact O-N 3.15Å
108C98.4Very high98Very high2 Ų258.4 Ų58.41%0.01427%0.267CS..Hα-helixtrans-62.3-49.5169.2-67.10000111C68 Y69 Q104 T105 C106 K110 R111 A112C68-C108 HydrophobicContact CB-CB 3.71Å; C68-C108 WeakPolarHBondContact CB-SG 3.44Å; C68-C108 WeakPolarHBondContact SG-CA 3.34Å; C68-C108 WeakPolarHBondContact SG-CB 3.45Å; C68-C108 CovalentContact SG-SG 2.04Å; C68-C108 PolarHBondContact SG-SG 3.48Å; Y69-C108 HydrophobicContact CD1-CB 3.89Å; Y69-C108 HydrophobicContact CE1-CB 3.84Å; Q104-C108 PolarHBondContact O-N 3.03Å; Q104-C108 PolarHBondContact O-SG 3.28Å; T105-C108 WeakPolarHBondContact O-CB 3.42Å; T105-C108 PolarHBondContact O-N 2.93Å; T105-C108 VanDerWaalsContact O-N 3.14Å; C106-C108 VanDerWaalsContact C-N 3.35Å; C108-K110 PolarHBondContact O-N 3.42Å; C108-R111 PolarHBondContact O-N 2.97Å; C108-A112 PolarHBondContact O-N 2.59Å
109D98.3Very high98Very high0 Ų048.2 Ų48.20%023%0.23CC..Hα-helixtrans-65.6-41-177.3-68.40.6000111.9N20 F24 M27 H65 Y69 Y84 T105 C106 R111 A112 A113N20-D109 PolarHBondContact ND2-OD2 3.48Å; N20-D109 PolarHBondContact OD1-OD2 2.77Å; F24-D109 HydrophobicContact CB-CB 4.39Å; F24-D109 HydrophobicContact CD2-CB 3.54Å; F24-D109 HydrophobicContact CE2-CB 4Å; F24-D109 WeakPolarHBondContact CE2-O 3.42Å; F24-D109 HydrophobicContact CG-CB 4.06Å; M27-D109 HydrophobicContact CE-CB 4.26Å; M27-D109 HydrophobicContact SD-CB 4.21Å; H65-D109 IonicContact CD2-OD1 3.68Å; H65-D109 IonicContact CE1-OD1 3.69Å; H65-D109 IonicContact NE2-OD1 2.71Å; H65-D109 PolarHBondContact NE2-OD1 2.81Å; Y69-D109 VanDerWaalsContact CE1-OD1 3.28Å; Y69-D109 WeakPolarHBondContact CE1-OD1 3.3Å; Y69-D109 PolarHBondContact OH-OD1 2.71Å; Y69-D109 PolarHBondContact OH-OD2 2.88Å; Y84-D109 HydrophobicContact CE1-CB 4.45Å; Y84-D109 WeakPolarHBondContact CE1-OD2 2.99Å; Y84-D109 VanDerWaalsContact CZ-OD2 3.28Å; Y84-D109 VanDerWaalsContact OH-CB 3.26Å; Y84-D109 WeakPolarHBondContact OH-CB 3.48Å; Y84-D109 PolarHBondContact OH-OD2 2.96Å; T105-D109 PolarHBondContact O-N 2.96Å; C106-D109 PolarHBondContact O-N 2.91Å; D109-R111 PolarHBondContact O-N 2.84Å; D109-A112 PolarHBondContact O-N 3.44Å; D109-A113 WeakPolarHBondContact O-CB 3.36Å; D109-A113 PolarHBondContact O-N 3Å
110K98.1Very high98.1Very high45 Ų4548.3 Ų48.320%0.19623%0.228CC..Hα-helixtrans-57.2-47173164.2174.4168.1-170.10112.1M27 I93 C106 E107 C108 A112 A113 L114M27-K110 WeakPolarHBondContact SD-CA 3.45Å; M27-K110 HydrophobicContact SD-CB 4.13Å; M27-K110 PolarHBondContact SD-N 3.37Å; I93-K110 HydrophobicContact CB-CB 4.38Å; I93-K110 HydrophobicContact CB-CD 3.86Å; I93-K110 HydrophobicContact CB-CG 3.87Å; I93-K110 HydrophobicContact CD1-CB 4.37Å; I93-K110 HydrophobicContact CD1-CG 4.17Å; I93-K110 HydrophobicContact CG2-CB 4.18Å; I93-K110 HydrophobicContact CG2-CD 4.1Å; I93-K110 HydrophobicContact CG2-CG 4.18Å; I93-K110 WeakPolarHBondContact O-CD 3.49Å; I93-K110 WeakPolarHBondContact O-CE 3.4Å; I93-K110 PolarHBondContact O-NZ 3.25Å; C106-K110 WeakPolarHBondContact O-CB 3.01Å; C106-K110 PolarHBondContact O-N 3.23Å; E107-K110 IonicContact OE1-NZ 3.65Å; E107-K110 PolarHBondContact OE1-NZ 3.19Å; E107-K110 IonicContact OE2-NZ 3.17Å; E107-K110 PolarHBondContact OE2-NZ 2.84Å; C108-K110 PolarHBondContact O-N 3.42Å; K110-A112 VanDerWaalsContact C-N 3.35Å; K110-A113 PolarHBondContact O-N 3.5Å; K110-L114 HydrophobicContact CG-CD1 3.84Å; K110-L114 WeakPolarHBondContact O-CB 3.45Å; K110-L114 VanDerWaalsContact O-CG 3.24Å; K110-L114 WeakPolarHBondContact O-CG 3.06Å; K110-L114 PolarHBondContact O-N 2.9Å
111R98.4Very high98.1Very high138 Ų13847.7 Ų47.752%0.52124%0.241SC..Hα-helixtrans-63.1-43.7178.4-73.7174-166.2144.24110.9E107 C108 D109 C115E107-R111 VanDerWaalsContact O-CG 3.26Å; E107-R111 WeakPolarHBondContact O-CG 3.38Å; E107-R111 PolarHBondContact O-N 2.85Å; E107-R111 VanDerWaalsContact O-N 3.15Å; C108-R111 PolarHBondContact O-N 2.97Å; D109-R111 PolarHBondContact O-N 2.84Å; R111-C115 VanDerWaalsContact O-CB 3.23Å; R111-C115 WeakPolarHBondContact O-CB 3.45Å; R111-C115 PolarHBondContact O-N 3.46Å
112A98.4Very high98.1Very high4 Ų450.2 Ų50.23%0.03326%0.255CS..Hα-helixtrans-62.6-48.8177.100000111.9F24 H65 C108 D109 K110 L114 C115 F116F24-A112 HydrophobicContact CE2-CB 3.92Å; F24-A112 HydrophobicContact CZ-CB 3.64Å; H65-A112 HydrophobicContact CB-CB 4Å; C108-A112 PolarHBondContact O-N 2.59Å; D109-A112 PolarHBondContact O-N 3.44Å; K110-A112 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 3.03Å; A112-C115 CarbonylContact O-C 3.56Å; A112-C115 WeakPolarHBondContact O-CA 3.42Å; A112-C115 WeakPolarHBondContact O-CB 3.33Å; A112-C115 PolarHBondContact O-N 3.44Å; A112-C115 VanDerWaalsContact O-N 3.1Å; A112-F116 HydrophobicContact CB-CE2 4.24Å; A112-F116 HydrophobicContact CB-CZ 4.35Å; A112-F116 VanDerWaalsContact O-CD2 3.31Å; A112-F116 WeakPolarHBondContact O-CD2 3.28Å; A112-F116 VanDerWaalsContact O-CG 3.24Å; A112-F116 WeakPolarHBondContact O-CG 3.45Å; A112-F116 PolarHBondContact O-N 2.87Å
113A97.9Very high98.2Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-61.7-40.6179.100000112.9F24 M27 M31 I93 D109 K110 F116 R117F24-A113 HydrophobicContact CE2-CB 4.41Å; M27-A113 HydrophobicContact CG-CB 3.81Å; M27-A113 HydrophobicContact SD-CB 3.94Å; M31-A113 HydrophobicContact CB-CB 4.28Å; M31-A113 HydrophobicContact CG-CB 3.98Å; I93-A113 HydrophobicContact CD1-CB 4.23Å; D109-A113 WeakPolarHBondContact O-CB 3.36Å; D109-A113 PolarHBondContact O-N 3Å; K110-A113 PolarHBondContact O-N 3.5Å; A113-F116 PolarHBondContact O-N 3.42Å; A113-R117 PolarHBondContact O-N 2.76Å
114L97.8Very high98.2Very high47 Ų4746 Ų4625%0.24624%0.243CC..Hα-helixtrans-66.9-38.2173.9-71.3169.5000111.9M31 I93 K110 A112 R117 H118M31-L114 HydrophobicContact CE-CD2 3.69Å; I93-L114 HydrophobicContact CD1-CD2 4.42Å; I93-L114 HydrophobicContact CD1-CG 4.15Å; K110-L114 HydrophobicContact CG-CD1 3.84Å; K110-L114 WeakPolarHBondContact O-CB 3.45Å; K110-L114 VanDerWaalsContact O-CG 3.24Å; K110-L114 WeakPolarHBondContact O-CG 3.06Å; K110-L114 PolarHBondContact O-N 2.9Å; A112-L114 PolarHBondContact O-N 3.03Å; L114-R117 VanDerWaalsContact CD2-NH2 3.3Å; L114-R117 PolarHBondContact O-N 3.13Å; L114-H118 PolarHBondContact O-N 2.77Å
115C98.7Very high98.1Very high41 Ų4151 Ų5128%0.27726%0.258SS..Hα-helixtrans-63.8-44174.9-174.90000111.4C61 R111 A112 R117 H118 N119C61-C115 HydrophobicContact CB-CB 3.66Å; C61-C115 WeakPolarHBondContact CB-SG 3.25Å; C61-C115 WeakPolarHBondContact SG-CB 3.24Å; C61-C115 CovalentContact SG-SG 2.03Å; C61-C115 PolarHBondContact SG-SG 3.37Å; R111-C115 VanDerWaalsContact O-CB 3.23Å; R111-C115 WeakPolarHBondContact O-CB 3.45Å; R111-C115 PolarHBondContact O-N 3.46Å; A112-C115 CarbonylContact O-C 3.56Å; A112-C115 WeakPolarHBondContact O-CA 3.42Å; A112-C115 WeakPolarHBondContact O-CB 3.33Å; A112-C115 PolarHBondContact O-N 3.44Å; A112-C115 VanDerWaalsContact O-N 3.1Å; C115-R117 VanDerWaalsContact C-N 3.34Å; C115-R117 PolarHBondContact O-N 3.45Å; C115-H118 WeakPolarHBondContact O-CB 3.14Å; C115-H118 PolarHBondContact O-N 2.99Å; C115-N119 PolarHBondContact O-N 3.23Å; C115-N119 PolarHBondContact O-ND2 3.13Å
116F98.5Very high98.1Very high4 Ų457 Ų572%0.01828%0.284CS..Hα-helixtrans-59.8-44.3174.1-61.1-34.8000112.2F24 I28 T32 Y39 T58 C61 C62 A112 A113 H118 N119 L120F24-F116 HydrophobicContact CE2-CE2 4.29Å; F24-F116 AromaticContact CZ-CE2 3.78Å; F24-F116 HydrophobicContact CZ-CE2 3.78Å; F24-F116 HydrophobicContact CZ-CZ 4.38Å; I28-F116 HydrophobicContact CD1-CD2 4.35Å; I28-F116 HydrophobicContact CD1-CE2 3.88Å; I28-F116 HydrophobicContact CG1-CD2 3.97Å; I28-F116 HydrophobicContact CG1-CE2 3.95Å; I28-F116 HydrophobicContact CG2-CD2 4.45Å; T32-F116 HydrophobicContact CG2-CB 3.69Å; Y39-F116 HydrophobicContact CD1-CB 4.39Å; Y39-F116 AromaticContact CD1-CD1 3.86Å; Y39-F116 HydrophobicContact CD1-CD1 3.86Å; Y39-F116 AromaticContact CD1-CD2 3.98Å; Y39-F116 HydrophobicContact CD1-CD2 3.98Å; Y39-F116 HydrophobicContact CD1-CE1 4.02Å; Y39-F116 HydrophobicContact CD1-CE2 4.18Å; Y39-F116 AromaticContact CD1-CG 3.83Å; Y39-F116 HydrophobicContact CD1-CG 3.83Å; Y39-F116 HydrophobicContact CD1-CZ 4.2Å; Y39-F116 HydrophobicContact CE1-CB 3.71Å; Y39-F116 AromaticContact CE1-CD1 3.81Å; Y39-F116 HydrophobicContact CE1-CD1 3.81Å; Y39-F116 HydrophobicContact CE1-CD2 4.15Å; Y39-F116 HydrophobicContact CE1-CE1 4.43Å; Y39-F116 AromaticContact CE1-CG 3.64Å; Y39-F116 HydrophobicContact CE1-CG 3.64Å; T58-F116 HydrophobicContact CG2-CD1 3.87Å; T58-F116 HydrophobicContact CG2-CE1 4.14Å; C61-F116 HydrophobicContact CB-CD1 3.61Å; C61-F116 HydrophobicContact CB-CE1 3.43Å; C61-F116 VanDerWaalsContact CB-CE1 3.43Å; C61-F116 HydrophobicContact CB-CZ 4.38Å; C62-F116 WeakPolarHBondContact SG-CE1 2.89Å; C62-F116 VanDerWaalsContact SG-CZ 3.52Å; A112-F116 HydrophobicContact CB-CE2 4.24Å; A112-F116 HydrophobicContact CB-CZ 4.35Å; A112-F116 VanDerWaalsContact O-CD2 3.31Å; A112-F116 WeakPolarHBondContact O-CD2 3.28Å; A112-F116 VanDerWaalsContact O-CG 3.24Å; A112-F116 WeakPolarHBondContact O-CG 3.45Å; A112-F116 PolarHBondContact O-N 2.87Å; A113-F116 PolarHBondContact O-N 3.42Å; F116-H118 VanDerWaalsContact C-N 3.32Å; F116-H118 PolarHBondContact O-N 3.49Å; F116-N119 CarbonylContact O-C 3.54Å; F116-N119 PolarHBondContact O-N 3.28Å; F116-L120 PolarHBondContact O-N 2.99Å
117R97.3Very high98.1Very high70 Ų7058.8 Ų58.826%0.26429%0.291SS..Hα-helixtrans-58.8-45.1175.5-179.4178.968.91652.4111.5M31 D91 A113 L114 C115 N119 L120M31-R117 HydrophobicContact CB-CB 4.41Å; M31-R117 VanDerWaalsContact CE-CZ 3.44Å; M31-R117 WeakPolarHBondContact O-CB 2.77Å; M31-R117 VanDerWaalsContact O-CD 3.23Å; M31-R117 WeakPolarHBondContact O-CD 3.17Å; M31-R117 VanDerWaalsContact O-CG 3.23Å; M31-R117 WeakPolarHBondContact O-CG 3.28Å; D91-R117 VanDerWaalsContact CA-NH1 3.32Å; D91-R117 PolarHBondContact O-NH2 3.16Å; D91-R117 IonicContact OD1-CZ 2.71Å; D91-R117 IonicContact OD1-NH1 3.43Å; D91-R117 PolarHBondContact OD1-NH1 3.05Å; A113-R117 PolarHBondContact O-N 2.76Å; L114-R117 VanDerWaalsContact CD2-NH2 3.3Å; L114-R117 PolarHBondContact O-N 3.13Å; C115-R117 VanDerWaalsContact C-N 3.34Å; C115-R117 PolarHBondContact O-N 3.45Å; R117-N119 VanDerWaalsContact C-N 3.28Å; R117-N119 PolarHBondContact O-N 2.89Å; R117-L120 HydrophobicContact CG-CD1 4.33Å; R117-L120 WeakPolarHBondContact O-CB 3.44Å; R117-L120 VanDerWaalsContact O-CG 3.28Å; R117-L120 WeakPolarHBondContact O-CG 3.17Å; R117-L120 PolarHBondContact O-N 3.19Å
118H98.1Very high98.1Very high158 Ų15857.6 Ų57.673%0.73129%0.29SS*.Hα-helixtrans-61.8-37.7179.7-175.570.7000112.2L114 C115 F116 L120L114-H118 PolarHBondContact O-N 2.77Å; C115-H118 WeakPolarHBondContact O-CB 3.14Å; C115-H118 PolarHBondContact O-N 2.99Å; F116-H118 VanDerWaalsContact C-N 3.32Å; F116-H118 PolarHBondContact O-N 3.49Å; H118-L120 VanDerWaalsContact C-N 3.35Å; H118-L120 PolarHBondContact O-N 3.47Å
119N98.6Very high98Very high20 Ų2063.6 Ų63.611%0.10732%0.317CS..G310 helixtrans-92.515.5-177.6-65.8-65.9000114.1Q57 C61 C115 F116 R117 G121 T122 Y123Q57-N119 HydrophobicContact CB-CB 4.2Å; Q57-N119 WeakPolarHBondContact CB-OD1 3.48Å; C61-N119 PolarHBondContact SG-ND2 2.93Å; C115-N119 PolarHBondContact O-N 3.23Å; C115-N119 PolarHBondContact O-ND2 3.13Å; F116-N119 CarbonylContact O-C 3.54Å; F116-N119 PolarHBondContact O-N 3.28Å; R117-N119 VanDerWaalsContact C-N 3.28Å; R117-N119 PolarHBondContact O-N 2.89Å; N119-G121 PolarHBondContact O-N 3.3Å; N119-G121 VanDerWaalsContact O-N 3.15Å; N119-T122 PolarHBondContact O-N 3.01Å; N119-T122 PolarHBondContact O-OG1 3.03Å; N119-Y123 PolarHBondContact O-N 2.03Å
120L98.1Very high97.9Very high63 Ų6365.8 Ų65.833%0.3333%0.326SS..G310 helixtrans-55.6-32.6177.2-82.4175.8000113.5K34 F116 R117 H118 T122K34-L120 HydrophobicContact CD-CD2 4.12Å; F116-L120 PolarHBondContact O-N 2.99Å; R117-L120 HydrophobicContact CG-CD1 4.33Å; R117-L120 WeakPolarHBondContact O-CB 3.44Å; R117-L120 VanDerWaalsContact O-CG 3.28Å; R117-L120 WeakPolarHBondContact O-CG 3.17Å; R117-L120 PolarHBondContact O-N 3.19Å; H118-L120 VanDerWaalsContact C-N 3.35Å; H118-L120 PolarHBondContact O-N 3.47Å; L120-T122 VanDerWaalsContact C-N 3.3Å; L120-T122 PolarHBondContact O-N 3.44Å
121G98.1Very high97.7Very high83 Ų8366.5 Ų66.586%0.85634%0.335SS*.G310 helixtrans-69.3-24.9179.500000114.1N119N119-G121 PolarHBondContact O-N 3.3Å; N119-G121 VanDerWaalsContact O-N 3.15Å
122T98.1Very high97.5Very high79 Ų7965 Ų6549%0.48534%0.337SS..THydrogen-bonded Turntrans-106-8.1178.155.80000113N119 L120 N124N119-T122 PolarHBondContact O-N 3.01Å; N119-T122 PolarHBondContact O-OG1 3.03Å; L120-T122 VanDerWaalsContact C-N 3.3Å; L120-T122 PolarHBondContact O-N 3.44Å; T122-N124 PolarHBondContact O-N 3.23Å; T122-N124 VanDerWaalsContact O-N 3.15Å
123Y98.4Very high97.3Very high25 Ų2573.5 Ų73.510%0.09837%0.373CS..  trans-52.6120.9176.2178.5-85.4000110.7K34 Q38 Y39 Y42 T58 N119 R125K34-Y123 HydrophobicContact CD-CD1 4.42Å; K34-Y123 HydrophobicContact CD-CE1 4.36Å; Q38-Y123 WeakPolarHBondContact CB-OH 3.28Å; Q38-Y123 PolarHBondContact O-OH 2.9Å; Y39-Y123 HydrophobicContact CD1-CE2 4.28Å; Y39-Y123 AromaticContact CE1-CD2 3.86Å; Y39-Y123 HydrophobicContact CE1-CD2 3.86Å; Y39-Y123 AromaticContact CE1-CE2 3.8Å; Y39-Y123 HydrophobicContact CE1-CE2 3.8Å; Y39-Y123 HydrophobicContact CE2-CE2 4.36Å; Y39-Y123 AromaticContact CZ-CD2 3.93Å; Y39-Y123 AromaticContact CZ-CE2 3.85Å; Y42-Y123 AromaticContact CD2-CE2 3.72Å; Y42-Y123 HydrophobicContact CD2-CE2 3.72Å; Y42-Y123 AromaticContact CE2-CD2 3.92Å; Y42-Y123 HydrophobicContact CE2-CD2 3.92Å; Y42-Y123 HydrophobicContact CE2-CE1 4.41Å; Y42-Y123 AromaticContact CE2-CE2 3.33Å; Y42-Y123 HydrophobicContact CE2-CE2 3.33Å; Y42-Y123 AromaticContact CE2-CZ 3.6Å; T58-Y123 HydrophobicContact CG2-CD2 4.12Å; N119-Y123 PolarHBondContact O-N 2.03Å; Y123-R125 HydrophobicContact CE1-CG 3.92Å
124N98.1Very high97.3Very high61 Ų6177.4 Ų77.433%0.32639%0.394SS..  trans-117.1119.2-179.6-163.4-33.3000111.9Y42 T122 K126 Y127Y42-N124 WeakPolarHBondContact CE2-O 3.34Å; Y42-N124 PolarHBondContact OH-N 2.84Å; Y42-N124 PolarHBondContact OH-O 3.26Å; T122-N124 PolarHBondContact O-N 3.23Å; T122-N124 VanDerWaalsContact O-N 3.15Å; N124-K126 HydrophobicContact CB-CG 4.33Å; N124-K126 WeakPolarHBondContact ND2-CD 3.38Å; N124-K126 WeakPolarHBondContact ND2-CE 3.13Å; N124-K126 PolarHBondContact O-N 2.96Å; N124-K126 VanDerWaalsContact O-N 3.1Å; N124-K126 WeakPolarHBondContact OD1-CB 3.47Å; N124-K126 VanDerWaalsContact OD1-CG 3.23Å; N124-K126 WeakPolarHBondContact OD1-CG 3.46Å; N124-K126 PolarHBondContact OD1-N 2.87Å; N124-Y127 HydrophobicContact CB-CD2 3.78Å; N124-Y127 HydrophobicContact CB-CE2 4.05Å; N124-Y127 PolarHBondContact O-N 3.16Å; N124-Y127 VanDerWaalsContact O-N 3.1Å
125R97.3Very high97.3Very high182 Ų18275.7 Ų75.769%0.68739%0.386SS*.G310 helixtrans-58.4-23.5178.8-72.6-178.4-179.2171.70.3113.8Y123 Y127 A128Y123-R125 HydrophobicContact CE1-CG 3.92Å; R125-Y127 PolarHBondContact O-N 3.04Å; R125-A128 WeakPolarHBondContact O-CB 3.36Å; R125-A128 PolarHBondContact O-N 2.8Å; R125-A128 VanDerWaalsContact O-N 3.08Å
126K97.8Very high97.3Very high124 Ų12478.6 Ų78.654%0.53940%0.402SS..G310 helixtrans-63.8-20.117882.6-171.9179.1174.10113.4N124N124-K126 HydrophobicContact CB-CG 4.33Å; N124-K126 WeakPolarHBondContact ND2-CD 3.38Å; N124-K126 WeakPolarHBondContact ND2-CE 3.13Å; N124-K126 PolarHBondContact O-N 2.96Å; N124-K126 VanDerWaalsContact O-N 3.1Å; N124-K126 WeakPolarHBondContact OD1-CB 3.47Å; N124-K126 VanDerWaalsContact OD1-CG 3.23Å; N124-K126 WeakPolarHBondContact OD1-CG 3.46Å; N124-K126 PolarHBondContact OD1-N 2.87Å
127Y98.3Very high97.2Very high39 Ų3980.5 Ų80.515%0.15342%0.423CS..G310 helixtrans-95.8-1.2177.9-60.4-53000112.4Y42 G43 V55 D56 N124 R125 Y130Y42-Y127 CarbonylContact C-O 3.59Å; Y42-Y127 VanDerWaalsContact CA-O 3.29Å; Y42-Y127 WeakPolarHBondContact CA-O 3Å; Y42-Y127 HydrophobicContact CE1-CD2 4.41Å; Y42-Y127 HydrophobicContact CE1-CG 4.49Å; Y42-Y127 VanDerWaalsContact CZ-CB 3.44Å; Y42-Y127 WeakPolarHBondContact OH-CD2 3.4Å; G43-Y127 PolarHBondContact N-O 2.91Å; V55-Y127 HydrophobicContact CB-CD1 4.02Å; V55-Y127 HydrophobicContact CB-CE1 3.79Å; V55-Y127 HydrophobicContact CB-CE2 4.4Å; V55-Y127 HydrophobicContact CB-CG 4.4Å; V55-Y127 HydrophobicContact CG1-CD1 4.45Å; V55-Y127 HydrophobicContact CG1-CE1 4.32Å; V55-Y127 HydrophobicContact CG2-CD1 3.69Å; V55-Y127 HydrophobicContact CG2-CD2 3.85Å; V55-Y127 HydrophobicContact CG2-CE1 3.95Å; V55-Y127 HydrophobicContact CG2-CE2 4.15Å; V55-Y127 HydrophobicContact CG2-CG 3.64Å; D56-Y127 HydrophobicContact CB-CE2 4.2Å; N124-Y127 HydrophobicContact CB-CD2 3.78Å; N124-Y127 HydrophobicContact CB-CE2 4.05Å; N124-Y127 PolarHBondContact O-N 3.16Å; N124-Y127 VanDerWaalsContact O-N 3.1Å; R125-Y127 PolarHBondContact O-N 3.04Å; Y127-Y130 AromaticContact CD1-CD2 3.71Å; Y127-Y130 HydrophobicContact CD1-CD2 3.71Å; Y127-Y130 AromaticContact CD1-CE2 3.74Å; Y127-Y130 HydrophobicContact CD1-CE2 3.74Å; Y127-Y130 HydrophobicContact CD1-CG 4.26Å; Y127-Y130 HydrophobicContact CE1-CD2 4.46Å; Y127-Y130 HydrophobicContact CE1-CE2 4.03Å; Y127-Y130 WeakPolarHBondContact O-CB 3.34Å
128A97Very high97.3Very high25 Ų2581.5 Ų81.521%0.20744%0.439CS..BIsolated β-bridgetrans-73.6136.3164.900000109.2Y42 R125 Y130Y42-A128 HydrophobicContact CD2-CB 4.26Å; R125-A128 WeakPolarHBondContact O-CB 3.36Å; R125-A128 PolarHBondContact O-N 2.8Å; R125-A128 VanDerWaalsContact O-N 3.08Å; A128-Y130 VanDerWaalsContact C-N 3.26Å; A128-Y130 PolarHBondContact O-N 3.08Å
129H96.1Very high97.3Very high127 Ų12778 Ų7859%0.58843%0.429SS*.THydrogen-bonded Turntrans54.241.4-170.6-51.4-60.1000112.6D41 P131D41-H129 WeakPolarHBondContact O-CA 3.44Å; D41-H129 PolarHBondContact O-N 2.81Å; D41-H129 WeakPolarHBondContact OD2-CA 3.5Å; D41-H129 IonicContact OD2-CE1 3.8Å; D41-H129 IonicContact OD2-CG 3.61Å; D41-H129 IonicContact OD2-ND1 2.76Å; D41-H129 PolarHBondContact OD2-ND1 2.82Å; H129-P131 WeakPolarHBondContact O-CD 3.23Å
130Y96.3Very high97.3Very high47 Ų4777.7 Ų77.718%0.18443%0.427CS..  trans-70.4126.7-176-166.6-113.1000110.6V55 Y127 A128 N132 L134V55-Y130 HydrophobicContact CG1-CD1 4.21Å; V55-Y130 HydrophobicContact CG1-CE1 3.8Å; Y127-Y130 AromaticContact CD1-CD2 3.71Å; Y127-Y130 HydrophobicContact CD1-CD2 3.71Å; Y127-Y130 AromaticContact CD1-CE2 3.74Å; Y127-Y130 HydrophobicContact CD1-CE2 3.74Å; Y127-Y130 HydrophobicContact CD1-CG 4.26Å; Y127-Y130 HydrophobicContact CE1-CD2 4.46Å; Y127-Y130 HydrophobicContact CE1-CE2 4.03Å; Y127-Y130 WeakPolarHBondContact O-CB 3.34Å; A128-Y130 VanDerWaalsContact C-N 3.26Å; A128-Y130 PolarHBondContact O-N 3.08Å; Y130-N132 PolarHBondContact O-N 2.78Å; Y130-N132 VanDerWaalsContact O-N 3.14Å; Y130-L134 HydrophobicContact CE1-CB 3.64Å; Y130-L134 HydrophobicContact CE2-CB 4.42Å; Y130-L134 HydrophobicContact CE2-CD1 3.92Å; Y130-L134 WeakPolarHBondContact OH-CB 3.31Å
131P95.6Very high97.3Very high59 Ų5980 Ų8038%0.38345%0.446SS..  trans-65.8117.7-178.5-20.130.4000111.5H129 K133 L134H129-P131 WeakPolarHBondContact O-CD 3.23Å; P131-K133 HydrophobicContact CB-CG 3.94Å; P131-K133 PolarHBondContact O-N 2.96Å; P131-L134 HydrophobicContact CB-CD1 4.3Å; P131-L134 HydrophobicContact CB-CG 4.25Å; P131-L134 HydrophobicContact CG-CD1 4.1Å; P131-L134 WeakPolarHBondContact O-CB 3.25Å; P131-L134 PolarHBondContact O-N 2.77Å
132N92.3Very high97.2Very high107 Ų10782.5 Ų82.557%0.57245%0.449SS*.G310 helixtrans-51.3-26.5179-71.6-11.1000114.5Y130 L134 C135Y130-N132 PolarHBondContact O-N 2.78Å; Y130-N132 VanDerWaalsContact O-N 3.14Å; N132-L134 PolarHBondContact O-N 2.84Å; N132-C135 VanDerWaalsContact O-CB 3.24Å; N132-C135 WeakPolarHBondContact O-CB 3.42Å; N132-C135 PolarHBondContact O-N 2.89Å; N132-C135 VanDerWaalsContact O-N 3.09Å
133K95.6Very high97.1Very high182 Ų18282.7 Ų82.779%0.79145%0.447SS*.G310 helixtrans-62.5-17.7173.965.7175.9179.8179.40114.6P131P131-K133 HydrophobicContact CB-CG 3.94Å; P131-K133 PolarHBondContact O-N 2.96Å
134L97.3Very high97.1Very high83 Ų8385.7 Ų85.744%0.43547%0.466SS..G310 helixtrans-91.7-11.7177.4-58.8-179.3000112.2Y130 P131 N132 T136Y130-L134 HydrophobicContact CE1-CB 3.64Å; Y130-L134 HydrophobicContact CE2-CB 4.42Å; Y130-L134 HydrophobicContact CE2-CD1 3.92Å; Y130-L134 WeakPolarHBondContact OH-CB 3.31Å; P131-L134 HydrophobicContact CB-CD1 4.3Å; P131-L134 HydrophobicContact CB-CG 4.25Å; P131-L134 HydrophobicContact CG-CD1 4.1Å; P131-L134 WeakPolarHBondContact O-CB 3.25Å; P131-L134 PolarHBondContact O-N 2.77Å; N132-L134 PolarHBondContact O-N 2.84Å; L134-T136 PolarHBondContact O-N 2.99Å
135C98Very high97Very high11 Ų1187.1 Ų87.17%0.07447%0.473CS..  trans-68.7122.1171.4-61.20000109.1C44 N52 N132C44-C135 WeakPolarHBondContact CA-SG 3.04Å; C44-C135 HydrophobicContact CB-CB 3.85Å; C44-C135 WeakPolarHBondContact CB-SG 3.05Å; C44-C135 VanDerWaalsContact SG-CA 3.51Å; C44-C135 WeakPolarHBondContact SG-CB 3.29Å; C44-C135 CovalentContact SG-SG 2.03Å; C44-C135 PolarHBondContact SG-SG 2.9Å; N52-C135 HydrophobicContact CB-CB 4.06Å; N52-C135 PolarHBondContact ND2-O 3.47Å; N132-C135 VanDerWaalsContact O-CB 3.24Å; N132-C135 WeakPolarHBondContact O-CB 3.42Å; N132-C135 PolarHBondContact O-N 2.89Å; N132-C135 VanDerWaalsContact O-N 3.09Å
136T98Very high97Very high101 Ų10181.5 Ų81.562%0.6246%0.461SS*.  trans-142.2165.1-174.856.70000110.6N52 W53 L134N52-T136 WeakPolarHBondContact CB-O 3.41Å; W53-T136 WeakPolarHBondContact CB-O 3.36Å; W53-T136 PolarHBondContact N-O 3.23Å; W53-T136 VanDerWaalsContact N-O 3.14Å; L134-T136 PolarHBondContact O-N 2.99Å
137G97.8Very high97Very high44 Ų4478.8 Ų78.845%0.45446%0.456SS..SBendtrans88.4179.6-175.500000113.1N52N52-G137 WeakPolarHBondContact CA-O 3.14Å; N52-G137 WeakPolarHBondContact CB-O 3.03Å; N52-G137 PolarHBondContact OD1-O 2.91Å; N52-G137 VanDerWaalsContact OD1-O 3.08Å
138P98Very high96.9Very high91 Ų9181.5 Ų81.559%0.59148%0.476SS*.PPolyproline II helixtrans-71.6148.9-176.730.3-34.3000111.4N52 W53 P140N52-P138 CarbonylContact C-O 3.57Å; N52-P138 VanDerWaalsContact C-O 3.22Å; W53-P138 HydrophobicContact CE3-CG 4.12Å; W53-P138 HydrophobicContact CZ3-CG 4.46Å; W53-P138 PolarHBondContact N-O 2.99Å; P138-P140 WeakPolarHBondContact O-CD 3.49Å
139T98.4Very high96.9Very high86 Ų8685.5 Ų85.553%0.52850%0.496SS..PPolyproline II helixtrans-73.5119.7167-59.90000109Y45 N52Y45-T139 WeakPolarHBondContact OH-CG2 3.39Å; N52-T139 PolarHBondContact N-OG1 3.21Å
140P98.3Very high96.9Very high12 Ų1282.3 Ų82.38%0.07849%0.488CS..PPolyproline II helixtrans-66.4145.4176.4-15.428.5000111.4Y45 N52 W53 P54 W60 H63 P138Y45-P140 VanDerWaalsContact OH-CD 3.28Å; Y45-P140 WeakPolarHBondContact OH-CD 3.02Å; N52-P140 VanDerWaalsContact O-CD 3.28Å; N52-P140 WeakPolarHBondContact O-CD 3.45Å; W53-P140 HydrophobicContact CD2-CG 4.47Å; W53-P140 HydrophobicContact CE3-CG 3.79Å; W53-P140 HydrophobicContact CZ3-CB 4.44Å; W53-P140 HydrophobicContact CZ3-CG 3.92Å; P54-P140 HydrophobicContact CG-CG 4.27Å; W60-P140 HydrophobicContact CH2-CB 3.57Å; W60-P140 HydrophobicContact CH2-CG 3.36Å; W60-P140 HydrophobicContact CZ2-CG 4.15Å; W60-P140 HydrophobicContact CZ3-CB 3.84Å; W60-P140 HydrophobicContact CZ3-CG 3.85Å; H63-P140 PolarHBondContact NE2-O 3.04Å; P138-P140 WeakPolarHBondContact O-CD 3.49Å
141P97.9Very high97Very high111 Ų11185.3 Ų85.372%0.72151%0.514SS*.PPolyproline II helixtrans-68.8155.4175.332-36000111.4H63H63-P141 PolarHBondContact CE1-O 3.05Å; H63-P141 VanDerWaalsContact CE1-O 3.25Å
142C96.6Very high97.1Very high136 Ų13687.6 Ų87.692%0.91953%0.526SS*.  trans-77.20151.5-550000109.4C67C67-C142 WeakPolarHBondContact CA-SG 3.32Å; C67-C142 HydrophobicContact CB-CB 3.67Å; C67-C142 WeakPolarHBondContact CB-SG 3.44Å; C67-C142 WeakPolarHBondContact SG-CA 2.76Å; C67-C142 WeakPolarHBondContact SG-CB 3.47Å; C67-C142 CovalentContact SG-SG 2.03Å; C67-C142 PolarHBondContact SG-SG 2.99Å

Retrieved 142 of 142 residues in 35.3 ms (Link to these results)

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