A0A5K4F8M4_SCHMA Loading...

LanC-like protein 3

AlphaFold DB , UniProt , Accession A0A5K4F8M4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 429 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
1M47.9Very low76.9Confident179 Ų17996.7 Ų96.788%0.88249%0.491SS*.  0140.40-69.8177.4-157.600107.9E336M1-E336 HydrophobicContact CE-CB 4.08Å; M1-E336 HydrophobicContact CE-CG 4.47Å
2V50.9Low78.5Confident131 Ų13190.9 Ų90.979%0.79446%0.462SS*.  trans-64.5133.3170.1-179.70000107.6I4V2-I4 PolarHBondContact O-N 3.25Å; V2-I4 VanDerWaalsContact O-N 3.1Å
3E61.9Low79.9Confident145 Ų14590.4 Ų90.468%0.67847%0.469SS*.  trans-67.1108.5174.8-169167.6-154.300108.3K11E3-K11 IonicContact OE1-NZ 3.83Å; E3-K11 PolarHBondContact OE1-NZ 3.24Å
4I68.8Low81Confident54 Ų5487.8 Ų87.828%0.27745%0.452SS..  trans-89.7112.8177.1-61.5174.5000107V2 D6 H9V2-I4 PolarHBondContact O-N 3.25Å; V2-I4 VanDerWaalsContact O-N 3.1Å; I4-D6 HydrophobicContact CG2-CB 4.48Å; I4-H9 PolarHBondContact O-CE1 3.26Å; I4-H9 PolarHBondContact O-NE2 2.91Å
5N73.8Confident82Confident143 Ų14392.7 Ų92.777%0.76547%0.472SS*.  trans-101.8100.8168.4-175.91.7000109.6G7N5-G7 PolarHBondContact OD1-N 3.05Å; N5-G7 VanDerWaalsContact OD1-N 3.17Å
6D80.4Confident82.9Confident28 Ų2890.6 Ų90.615%0.1546%0.463CS..  trans-97.3-2.2178.359.336.4000113.4I4 R8 H9 V300 R341I4-D6 HydrophobicContact CG2-CB 4.48Å; D6-R8 PolarHBondContact O-N 3.14Å; D6-R8 WeakPolarHBondContact OD1-CA 3.14Å; D6-R8 VanDerWaalsContact OD1-CB 3.29Å; D6-R8 WeakPolarHBondContact OD1-CB 3.24Å; D6-R8 PolarHBondContact OD1-N 3.08Å; D6-H9 IonicContact OD1-CE1 2.88Å; D6-H9 PolarHBondContact OD1-CE1 3.34Å; D6-H9 IonicContact OD1-CG 2.79Å; D6-H9 PolarHBondContact OD1-N 3.43Å; D6-H9 IonicContact OD1-ND1 3.43Å; D6-H9 PolarHBondContact OD1-ND1 3.5Å; D6-H9 IonicContact OD2-CE1 2.78Å; D6-H9 PolarHBondContact OD2-CE1 3.3Å; D6-H9 VanDerWaalsContact OD2-CE1 3.31Å; D6-H9 IonicContact OD2-ND1 3.68Å; D6-H9 PolarHBondContact OD2-ND1 3.19Å; D6-V300 HydrophobicContact CB-CG1 4.35Å; D6-R341 IonicContact OD2-CZ 3.4Å; D6-R341 IonicContact OD2-NE 3.5Å; D6-R341 PolarHBondContact OD2-NE 2.92Å; D6-R341 IonicContact OD2-NH2 3.89Å; D6-R341 PolarHBondContact OD2-NH2 2.73Å
7G86.5Confident83.7Confident42 Ų4288.4 Ų88.443%0.43345%0.448SS..SBendtrans67.612.9-176.600000115.1N5 H345N5-G7 PolarHBondContact OD1-N 3.05Å; N5-G7 VanDerWaalsContact OD1-N 3.17Å; G7-H345 PolarHBondContact O-CE1 3.26Å; G7-H345 PolarHBondContact O-ND1 2.93Å
8R92.6Very high84.4Confident120 Ų12088.5 Ų88.545%0.45345%0.453SS..SBendtrans-116.3-9-176.6-57.9-61.8-172.5151.41.8114D6 V300 L301 H345D6-R8 PolarHBondContact O-N 3.14Å; D6-R8 WeakPolarHBondContact OD1-CA 3.14Å; D6-R8 VanDerWaalsContact OD1-CB 3.29Å; D6-R8 WeakPolarHBondContact OD1-CB 3.24Å; D6-R8 PolarHBondContact OD1-N 3.08Å; R8-V300 HydrophobicContact CG-CG1 3.87Å; R8-L301 HydrophobicContact CG-CD2 4.36Å; R8-H345 WeakPolarHBondContact O-CB 3.46Å; R8-H345 PolarHBondContact O-N 3.16Å
9H94.5Very high84.8Confident20 Ų2089.1 Ų89.19%0.09347%0.473CS..BIsolated β-bridgetrans-134.4153.2-179.368.5-80.7000112.6I4 D6 R341 L343 L344 H345I4-H9 PolarHBondContact O-CE1 3.26Å; I4-H9 PolarHBondContact O-NE2 2.91Å; D6-H9 IonicContact OD1-CE1 2.88Å; D6-H9 PolarHBondContact OD1-CE1 3.34Å; D6-H9 IonicContact OD1-CG 2.79Å; D6-H9 PolarHBondContact OD1-N 3.43Å; D6-H9 IonicContact OD1-ND1 3.43Å; D6-H9 PolarHBondContact OD1-ND1 3.5Å; D6-H9 IonicContact OD2-CE1 2.78Å; D6-H9 PolarHBondContact OD2-CE1 3.3Å; D6-H9 VanDerWaalsContact OD2-CE1 3.31Å; D6-H9 IonicContact OD2-ND1 3.68Å; D6-H9 PolarHBondContact OD2-ND1 3.19Å; H9-R341 HydrophobicContact CB-CB 4.39Å; H9-R341 WeakPolarHBondContact CB-O 3.4Å; H9-L343 CarbonylContact C-O 3.22Å; H9-L343 VanDerWaalsContact CA-O 3.29Å; H9-L343 WeakPolarHBondContact CA-O 3.06Å; H9-L343 WeakPolarHBondContact CB-O 3.39Å; H9-L344 HydrophobicContact CB-CD2 4.34Å; H9-H345 VanDerWaalsContact C-NE2 3.3Å; H9-H345 PolarHBondContact O-CE1 3.48Å; H9-H345 PolarHBondContact O-NE2 2.92Å; H9-H345 VanDerWaalsContact O-NE2 3.11Å
10F94.4Very high84.9Confident52 Ų5287.9 Ų87.923%0.22848%0.482CS..  trans-77.8141.7165.8-59.4-82000109.1N12 L343 L344 H345 W383 T392F10-N12 PolarHBondContact O-N 3.35Å; F10-L343 HydrophobicContact CB-CB 4.36Å; F10-L343 WeakPolarHBondContact CD2-O 3.31Å; F10-L343 PolarHBondContact N-O 3.12Å; F10-L344 WeakPolarHBondContact CE2-O 3.45Å; F10-H345 AromaticContact CD1-CD2 3.76Å; F10-H345 AromaticContact CD1-NE2 3.92Å; F10-H345 AromaticContact CD2-CD2 3.72Å; F10-H345 AromaticContact CE1-CD2 3.7Å; F10-H345 AromaticContact CE2-CD2 3.69Å; F10-H345 AromaticContact CG-CD2 3.78Å; F10-H345 AromaticContact CZ-CD2 3.68Å; F10-W383 HydrophobicContact CB-CH2 4.01Å; F10-W383 HydrophobicContact CB-CZ2 4.19Å; F10-W383 HydrophobicContact CD1-CH2 4.49Å; F10-W383 HydrophobicContact CD2-CH2 4.05Å; F10-W383 AromaticContact CD2-CZ2 3.46Å; F10-W383 HydrophobicContact CD2-CZ2 3.46Å; F10-W383 VanDerWaalsContact CD2-CZ2 3.46Å; F10-W383 AromaticContact CE2-CZ2 3.89Å; F10-W383 HydrophobicContact CE2-CZ2 3.89Å; F10-W383 AromaticContact CG-CH2 3.95Å; F10-W383 HydrophobicContact CG-CH2 3.95Å; F10-W383 AromaticContact CG-CZ2 3.86Å; F10-W383 HydrophobicContact CG-CZ2 3.86Å; F10-T392 HydrophobicContact CE1-CG2 4.11Å; F10-T392 HydrophobicContact CZ-CG2 3.7Å
11K94.4Very high84.9Confident150 Ų15086.4 Ų86.465%0.65247%0.474SS*.  trans-55.8126.4168.1-177.5169.2-173.4149.70109E3 P13E3-K11 IonicContact OE1-NZ 3.83Å; E3-K11 PolarHBondContact OE1-NZ 3.24Å; K11-P13 VanDerWaalsContact O-CD 3.23Å; K11-P13 WeakPolarHBondContact O-CD 3.4Å; K11-P13 VanDerWaalsContact O-N 3.13Å
12N96.2Very high86.5Confident27 Ų2785.3 Ų85.314%0.14447%0.467CS..  trans-62.1114.9179.8-173.4-16.4000109.9F10 F14 W339 L343F10-N12 PolarHBondContact O-N 3.35Å; N12-F14 VanDerWaalsContact C-N 3.33Å; N12-F14 WeakPolarHBondContact OD1-CB 3.37Å; N12-F14 VanDerWaalsContact OD1-CD2 3.23Å; N12-F14 WeakPolarHBondContact OD1-CD2 3.44Å; N12-F14 PolarHBondContact OD1-N 2.87Å; N12-W339 WeakPolarHBondContact ND2-CZ2 3.09Å; N12-W339 WeakPolarHBondContact ND2-CZ3 3.14Å; N12-W339 PolarHBondContact ND2-O 3.43Å; N12-L343 HydrophobicContact CB-CD1 4.3Å
13P95.9Very high88.2Confident84 Ų8481 Ų8155%0.54544%0.439SS..  trans-85.2-9.1-17636.5-36.2000112.7K11 L343 W383K11-P13 VanDerWaalsContact O-CD 3.23Å; K11-P13 WeakPolarHBondContact O-CD 3.4Å; K11-P13 VanDerWaalsContact O-N 3.13Å; P13-L343 VanDerWaalsContact CD-CD1 3.48Å; P13-W383 HydrophobicContact CG-CE3 4.33Å; P13-W383 HydrophobicContact CG-CZ3 3.99Å
14F96.4Very high89.5Confident54 Ų5479.3 Ų79.324%0.23743%0.429CS..SBendtrans-84.5139.1-174.4-56.5-67.1000110.9N12 W339 L343 K379 W383N12-F14 VanDerWaalsContact C-N 3.33Å; N12-F14 WeakPolarHBondContact OD1-CB 3.37Å; N12-F14 VanDerWaalsContact OD1-CD2 3.23Å; N12-F14 WeakPolarHBondContact OD1-CD2 3.44Å; N12-F14 PolarHBondContact OD1-N 2.87Å; F14-W339 HydrophobicContact CB-CH2 3.87Å; F14-W339 HydrophobicContact CB-CZ2 4.43Å; F14-L343 HydrophobicContact CD2-CD1 4.22Å; F14-L343 HydrophobicContact CE2-CD1 3.99Å; F14-K379 HydrophobicContact CB-CB 4.36Å; F14-K379 HydrophobicContact CB-CG 4.2Å; F14-K379 HydrophobicContact CD1-CB 4.47Å; F14-K379 HydrophobicContact CD1-CD 4.09Å; F14-K379 HydrophobicContact CD1-CG 4.49Å; F14-K379 HydrophobicContact CD2-CB 3.87Å; F14-K379 HydrophobicContact CE2-CB 4.28Å; F14-K379 WeakPolarHBondContact CE2-O 3.49Å; F14-K379 HydrophobicContact CG-CB 3.98Å; F14-K379 HydrophobicContact CG-CD 4.28Å; F14-K379 HydrophobicContact CG-CG 4.18Å; F14-W383 HydrophobicContact CE2-CB 4.03Å; F14-W383 HydrophobicContact CE2-CE3 4.05Å; F14-W383 HydrophobicContact CZ-CB 4.13Å; F14-W383 HydrophobicContact CZ-CE3 4.17Å
15Q95.9Very high90.4Very high162 Ų16277.4 Ų77.476%0.75742%0.42SS*.PPolyproline II helixtrans-65.1141.6163.8-69.5-176.3-800109.3Y375Q15-Y375 VanDerWaalsContact O-CE1 3.31Å; Q15-Y375 WeakPolarHBondContact O-CE1 3.05Å; Q15-Y375 PolarHBondContact O-OH 3.4Å
16D96.8Very high91.1Very high59 Ų5975.7 Ų75.732%0.31641%0.408SS..PPolyproline II helixtrans-73.9165.3177.4-155.7-0.7000111.3T18 W339 R376D16-T18 PolarHBondContact O-N 3.21Å; D16-W339 HydrophobicContact CB-CZ2 3.97Å; D16-W339 PolarHBondContact OD2-NE1 3.3Å; D16-R376 IonicContact OD1-CZ 3.57Å; D16-R376 IonicContact OD1-NE 2.87Å; D16-R376 PolarHBondContact OD1-NE 2.91Å; D16-R376 IonicContact OD1-NH2 3.37Å; D16-R376 IonicContact OD2-CZ 2.96Å; D16-R376 IonicContact OD2-NE 3.58Å; D16-R376 IonicContact OD2-NH2 2.93Å; D16-R376 PolarHBondContact OD2-NH2 3.13Å
17Y96.1Very high91.5Very high53 Ų5380.2 Ų80.221%0.20843%0.432CS..PPolyproline II helixtrans-55.3134-178.8178-105.7000111.8D21 P371 K372 Y375Y17-D21 HydrophobicContact CD2-CB 4.01Å; Y17-D21 HydrophobicContact CE2-CB 3.76Å; Y17-D21 WeakPolarHBondContact CE2-O 3.46Å; Y17-P371 HydrophobicContact CE1-CG 4.26Å; Y17-P371 HydrophobicContact CE2-CB 4.36Å; Y17-K372 HydrophobicContact CD1-CB 3.78Å; Y17-K372 HydrophobicContact CD1-CG 4.36Å; Y17-K372 HydrophobicContact CG-CB 4.05Å; Y17-K372 HydrophobicContact CG-CG 4.4Å; Y17-Y375 HydrophobicContact CD2-CD1 4.38Å; Y17-Y375 HydrophobicContact CD2-CD2 4.15Å; Y17-Y375 AromaticContact CD2-CG 3.81Å; Y17-Y375 HydrophobicContact CD2-CG 3.81Å; Y17-Y375 HydrophobicContact CG-CG 4.42Å
18T95.2Very high91.8Very high90 Ų9079.1 Ų79.155%0.55242%0.417SS*.  trans-111.9141.3169.156.50000109.5D16 G20 D21D16-T18 PolarHBondContact O-N 3.21Å; T18-G20 PolarHBondContact O-N 2.77Å; T18-D21 VanDerWaalsContact O-CB 3.31Å; T18-D21 WeakPolarHBondContact O-CB 3.28Å; T18-D21 PolarHBondContact O-N 3.34Å
19A92.1Very high91.9Very high100 Ų10076.2 Ų76.283%0.82642%0.415SS*.THydrogen-bonded Turntrans-57.8127.1-178.800000110.6
20G87.2Confident92Very high64 Ų6475.2 Ų75.266%0.6641%0.41SS*.THydrogen-bonded Turntrans96-7-17600000114.6T18 Q22T18-G20 PolarHBondContact O-N 2.77Å; G20-Q22 PolarHBondContact O-N 2.81Å
21D86.2Confident92Very high57 Ų5773.5 Ų73.531%0.30540%0.404SS..  trans-63.8124.7167.9-166.8-14.8000109.5Y17 T18 L23 Y375Y17-D21 HydrophobicContact CD2-CB 4.01Å; Y17-D21 HydrophobicContact CE2-CB 3.76Å; Y17-D21 WeakPolarHBondContact CE2-O 3.46Å; T18-D21 VanDerWaalsContact O-CB 3.31Å; T18-D21 WeakPolarHBondContact O-CB 3.28Å; T18-D21 PolarHBondContact O-N 3.34Å; D21-L23 PolarHBondContact OD1-N 3.03Å; D21-Y375 WeakPolarHBondContact OD2-CD2 3.2Å; D21-Y375 WeakPolarHBondContact OD2-CE2 3.33Å
22Q79.9Confident92Very high157 Ų15771.9 Ų71.973%0.73440%0.403SS*.  trans-114.138.6-178.5-65.1-170.9-12.700110.6G20 K24G20-Q22 PolarHBondContact O-N 2.81Å; Q22-K24 WeakPolarHBondContact O-CG 3.42Å; Q22-K24 PolarHBondContact O-N 3.45Å
23L88.1Confident92.1Very high41 Ų4173 Ų7322%0.21541%0.407CS..  trans-53108.9174.1-176.362.5000110.6D21 T28 Y375 I378 K379D21-L23 PolarHBondContact OD1-N 3.03Å; L23-T28 HydrophobicContact CD1-CG2 3.98Å; L23-Y375 HydrophobicContact CB-CD2 3.94Å; L23-Y375 HydrophobicContact CB-CE2 4.42Å; L23-Y375 HydrophobicContact CD2-CD2 3.69Å; L23-Y375 HydrophobicContact CD2-CE2 3.84Å; L23-Y375 HydrophobicContact CG-CD2 4.49Å; L23-I378 HydrophobicContact CD2-CB 4.02Å; L23-I378 HydrophobicContact CD2-CD1 4.47Å; L23-I378 HydrophobicContact CD2-CG2 3.56Å; L23-I378 HydrophobicContact CG-CD1 4.28Å; L23-I378 HydrophobicContact CG-CG2 4.03Å; L23-K379 HydrophobicContact CD2-CD 4.27Å
24K87.4Confident92.2Very high108 Ų10869 Ų6947%0.4738%0.381SS..  trans-105.5141.8172.4-63.8-177.9-176.3-178.90109.4Q22 E26 N27Q22-K24 WeakPolarHBondContact O-CG 3.42Å; Q22-K24 PolarHBondContact O-N 3.45Å; K24-E26 HydrophobicContact CB-CG 3.83Å; K24-E26 HydrophobicContact CD-CG 4.36Å; K24-E26 WeakPolarHBondContact CD-OE1 3.47Å; K24-E26 IonicContact NZ-OE1 2.61Å; K24-E26 PolarHBondContact O-N 2.69Å; K24-N27 WeakPolarHBondContact O-CB 3.47Å; K24-N27 PolarHBondContact O-N 2.99Å
25V88.2Confident92.2Very high14 Ų1469.1 Ų69.19%0.08539%0.386CS..G310 helixtrans-59.7-34.6-178.7177.70000112.3N27 T28 I30 I378 I415 L416V25-N27 PolarHBondContact O-N 3.45Å; V25-N27 VanDerWaalsContact O-N 3.17Å; V25-T28 WeakPolarHBondContact O-CB 3.42Å; V25-T28 PolarHBondContact O-N 2.96Å; V25-T28 PolarHBondContact O-OG1 3.08Å; V25-I30 HydrophobicContact CG1-CD1 4.49Å; V25-I378 HydrophobicContact CG2-CD1 3.55Å; V25-I378 HydrophobicContact CG2-CG1 3.66Å; V25-I415 HydrophobicContact CG1-CG2 3.94Å; V25-I415 HydrophobicContact CG2-CG1 4.13Å; V25-I415 HydrophobicContact CG2-CG2 4.41Å; V25-I415 WeakPolarHBondContact CG2-O 3.3Å; V25-L416 HydrophobicContact CG1-CD2 3.54Å
26E87.9Confident92.2Very high108 Ų10866.1 Ų66.151%0.50537%0.372SS..G310 helixtrans-57.9-25.5175.169.2-161.3-167.500113.9K24 L76K24-E26 HydrophobicContact CB-CG 3.83Å; K24-E26 HydrophobicContact CD-CG 4.36Å; K24-E26 WeakPolarHBondContact CD-OE1 3.47Å; K24-E26 IonicContact NZ-OE1 2.61Å; K24-E26 PolarHBondContact O-N 2.69Å; E26-L76 HydrophobicContact CB-CD1 4Å; E26-L76 HydrophobicContact CB-CD2 4.29Å
27N89.1Confident92.2Very high122 Ų12264.1 Ų64.165%0.65236%0.361SS*.G310 helixtrans-92.83.9180-62.7-27.8000113K24 V25K24-N27 WeakPolarHBondContact O-CB 3.47Å; K24-N27 PolarHBondContact O-N 2.99Å; V25-N27 PolarHBondContact O-N 3.45Å; V25-N27 VanDerWaalsContact O-N 3.17Å
28T93Very high92.3Very high19 Ų1962 Ų6212%0.11735%0.353CS..SBendtrans-100.9170.6-179.772.50000111.6L23 V25 I30 I378L23-T28 HydrophobicContact CD1-CG2 3.98Å; V25-T28 WeakPolarHBondContact O-CB 3.42Å; V25-T28 PolarHBondContact O-N 2.96Å; V25-T28 PolarHBondContact O-OG1 3.08Å; T28-I30 HydrophobicContact CG2-CD1 4.38Å; T28-I30 PolarHBondContact O-N 3.31Å; T28-I30 WeakPolarHBondContact OG1-CB 3.34Å; T28-I30 WeakPolarHBondContact OG1-CD1 3.49Å; T28-I30 WeakPolarHBondContact OG1-CG1 3.36Å; T28-I30 PolarHBondContact OG1-N 3.48Å; T28-I378 HydrophobicContact CG2-CG2 4.09Å
29S94.4Very high92.4Very high59 Ų5962.1 Ų62.141%0.41335%0.35SS..SBendtrans-77.8-3.5171.661.50000113.9N32 K33S29-N32 PolarHBondContact O-N 3.09Å; S29-K33 WeakPolarHBondContact O-CG 3.36Å; S29-K33 PolarHBondContact O-N 2.96Å
30I96.7Very high92.6Very high0 Ų060.5 Ų60.50%033%0.33CS..Hα-helixtrans-56.1-48.4-172.5-65.4165.9000112.4V25 T28 N32 K33 I34 I378 A381 E382 T385 L412 I415 L416V25-I30 HydrophobicContact CG1-CD1 4.49Å; T28-I30 HydrophobicContact CG2-CD1 4.38Å; T28-I30 PolarHBondContact O-N 3.31Å; T28-I30 WeakPolarHBondContact OG1-CB 3.34Å; T28-I30 WeakPolarHBondContact OG1-CD1 3.49Å; T28-I30 WeakPolarHBondContact OG1-CG1 3.36Å; T28-I30 PolarHBondContact OG1-N 3.48Å; I30-N32 VanDerWaalsContact C-N 3.32Å; I30-N32 PolarHBondContact O-N 3.07Å; I30-K33 PolarHBondContact O-N 3.4Å; I30-K33 VanDerWaalsContact O-N 3.12Å; I30-I34 HydrophobicContact CG2-CD1 3.95Å; I30-I34 HydrophobicContact CG2-CG1 4.31Å; I30-I34 WeakPolarHBondContact O-CG1 3.38Å; I30-I34 PolarHBondContact O-N 2.94Å; I30-I378 HydrophobicContact CD1-CG2 4.21Å; I30-A381 HydrophobicContact CD1-CB 3.63Å; I30-E382 HydrophobicContact CD1-CG 4.12Å; I30-E382 HydrophobicContact CG1-CG 4.4Å; I30-T385 HydrophobicContact CB-CG2 4.46Å; I30-T385 HydrophobicContact CG1-CG2 3.89Å; I30-L412 HydrophobicContact CG2-CB 4.44Å; I30-L412 HydrophobicContact CG2-CD2 4.25Å; I30-I415 HydrophobicContact CD1-CG2 4.18Å; I30-I415 HydrophobicContact CG2-CG2 3.96Å; I30-L416 HydrophobicContact CG2-CD2 4.32Å
31P95Very high93.1Very high15 Ų1557.5 Ų57.510%0.09730%0.299CS..Hα-helixtrans-56.9-43.8179.8-26.235.9000113I34 L76 L416P31-I34 PolarHBondContact O-N 3.29Å; P31-L76 HydrophobicContact CB-CB 4.36Å; P31-L76 HydrophobicContact CG-CB 4.36Å; P31-L76 HydrophobicContact CG-CD1 4.08Å; P31-L416 HydrophobicContact CG-CD2 4.13Å
32N95.5Very high93.6Very high117 Ų11756.9 Ų56.963%0.62630%0.295SS*.Hα-helixtrans-66.6-40.7177.6-68.6-21.9000111.6S29 I30 I34 V35 E36S29-N32 PolarHBondContact O-N 3.09Å; I30-N32 VanDerWaalsContact C-N 3.32Å; I30-N32 PolarHBondContact O-N 3.07Å; N32-I34 VanDerWaalsContact C-N 3.32Å; N32-I34 PolarHBondContact O-N 2.86Å; N32-V35 WeakPolarHBondContact O-CB 3.3Å; N32-V35 PolarHBondContact O-N 2.94Å; N32-V35 VanDerWaalsContact O-N 3.14Å; N32-E36 PolarHBondContact O-N 3.33Å
33K96.9Very high94.3Very high51 Ų5154.2 Ų54.222%0.22229%0.294CS..Hα-helixtrans-66.3-31.8178.5-73.8-74.7172.7-1620113.1S29 I30 V35 E36 L37 T385S29-K33 WeakPolarHBondContact O-CG 3.36Å; S29-K33 PolarHBondContact O-N 2.96Å; I30-K33 PolarHBondContact O-N 3.4Å; I30-K33 VanDerWaalsContact O-N 3.12Å; K33-V35 VanDerWaalsContact C-N 3.29Å; K33-V35 PolarHBondContact O-N 3.46Å; K33-E36 IonicContact NZ-OE1 3.43Å; K33-E36 IonicContact NZ-OE2 3.23Å; K33-E36 PolarHBondContact NZ-OE2 3.28Å; K33-E36 PolarHBondContact O-N 3.4Å; K33-L37 WeakPolarHBondContact O-CB 3.37Å; K33-L37 VanDerWaalsContact O-CG 3.3Å; K33-L37 WeakPolarHBondContact O-CG 3.43Å; K33-L37 PolarHBondContact O-N 2.97Å; K33-T385 HydrophobicContact CB-CG2 3.69Å; K33-T385 HydrophobicContact CG-CG2 4Å
34I97.5Very high94.6Very high0 Ų053.5 Ų53.50%029%0.29CS..Hα-helixtrans-58-43.7171.5-71.1165.4000110.4I30 P31 N32 L37 L38 L77 L409 L412 V413 L416I30-I34 HydrophobicContact CG2-CD1 3.95Å; I30-I34 HydrophobicContact CG2-CG1 4.31Å; I30-I34 WeakPolarHBondContact O-CG1 3.38Å; I30-I34 PolarHBondContact O-N 2.94Å; P31-I34 PolarHBondContact O-N 3.29Å; N32-I34 VanDerWaalsContact C-N 3.32Å; N32-I34 PolarHBondContact O-N 2.86Å; I34-L37 PolarHBondContact O-N 3.09Å; I34-L38 HydrophobicContact CG2-CD1 3.78Å; I34-L38 HydrophobicContact CG2-CG 4.29Å; I34-L38 VanDerWaalsContact O-CB 3.28Å; I34-L38 WeakPolarHBondContact O-CB 3.21Å; I34-L38 VanDerWaalsContact O-CG 3.24Å; I34-L38 WeakPolarHBondContact O-CG 3.48Å; I34-L38 PolarHBondContact O-N 2.92Å; I34-L77 HydrophobicContact CD1-CD2 4.45Å; I34-L77 HydrophobicContact CG2-CD2 3.99Å; I34-L409 HydrophobicContact CG2-CD2 4.18Å; I34-L412 HydrophobicContact CD1-CB 3.97Å; I34-L412 WeakPolarHBondContact CD1-O 3.37Å; I34-L412 HydrophobicContact CG1-CB 3.68Å; I34-L412 HydrophobicContact CG1-CD1 4.32Å; I34-V413 HydrophobicContact CD1-CG2 4.34Å; I34-V413 HydrophobicContact CG2-CG2 4.13Å; I34-L416 HydrophobicContact CD1-CD1 3.83Å; I34-L416 HydrophobicContact CD1-CD2 4.09Å; I34-L416 HydrophobicContact CD1-CG 4.08Å
35V96.4Very high94.7Very high56 Ų5649 Ų4934%0.33927%0.271SS..Hα-helixtrans-64-45.5179.1-174.20000111.5N32 K33 L38 N39 I81N32-V35 WeakPolarHBondContact O-CB 3.3Å; N32-V35 PolarHBondContact O-N 2.94Å; N32-V35 VanDerWaalsContact O-N 3.14Å; K33-V35 VanDerWaalsContact C-N 3.29Å; K33-V35 PolarHBondContact O-N 3.46Å; V35-L38 PolarHBondContact O-N 3.5Å; V35-N39 PolarHBondContact O-N 2.96Å; V35-N39 VanDerWaalsContact O-N 3.12Å; V35-N39 PolarHBondContact O-ND2 2.68Å; V35-I81 HydrophobicContact CG2-CD1 3.75Å
36E96.6Very high94.7Very high99 Ų9957.3 Ų57.346%0.46331%0.309SS..Hα-helixtrans-59.3-48.3176.6-68.4175.9-151.400111.7N32 K33 N39 V40N32-E36 PolarHBondContact O-N 3.33Å; K33-E36 IonicContact NZ-OE1 3.43Å; K33-E36 IonicContact NZ-OE2 3.23Å; K33-E36 PolarHBondContact NZ-OE2 3.28Å; K33-E36 PolarHBondContact O-N 3.4Å; E36-N39 WeakPolarHBondContact O-CB 3.44Å; E36-N39 PolarHBondContact O-N 2.7Å; E36-V40 PolarHBondContact O-N 2.76Å; E36-V40 VanDerWaalsContact O-N 3.16Å
37L97.6Very high94.9Very high17 Ų1758.9 Ų58.99%0.08931%0.314CS..Hα-helixtrans-69.7-32.3-178.8-71177.3000112.5K33 I34 N39 V40 L41 L405 L409 L412K33-L37 WeakPolarHBondContact O-CB 3.37Å; K33-L37 VanDerWaalsContact O-CG 3.3Å; K33-L37 WeakPolarHBondContact O-CG 3.43Å; K33-L37 PolarHBondContact O-N 2.97Å; I34-L37 PolarHBondContact O-N 3.09Å; L37-N39 VanDerWaalsContact C-N 3.33Å; L37-V40 WeakPolarHBondContact O-CB 3.48Å; L37-V40 PolarHBondContact O-N 3.34Å; L37-L41 PolarHBondContact O-N 3.12Å; L37-L405 HydrophobicContact CB-CD1 4.17Å; L37-L405 HydrophobicContact CD1-CD1 4.33Å; L37-L405 HydrophobicContact CD2-CD1 4.02Å; L37-L405 HydrophobicContact CG-CD1 4.4Å; L37-L409 HydrophobicContact CB-CD2 3.73Å; L37-L409 HydrophobicContact CB-CG 4.27Å; L37-L412 HydrophobicContact CD1-CD1 3.69Å
38L97.6Very high95Very high7 Ų753.7 Ų53.74%0.03729%0.286CS..Hα-helixtrans-61.3-42.3170.8-84.6169.8000111.7I34 V35 V40 L41 N42 F65 Y66 L69 I81 L409I34-L38 HydrophobicContact CG2-CD1 3.78Å; I34-L38 HydrophobicContact CG2-CG 4.29Å; I34-L38 VanDerWaalsContact O-CB 3.28Å; I34-L38 WeakPolarHBondContact O-CB 3.21Å; I34-L38 VanDerWaalsContact O-CG 3.24Å; I34-L38 WeakPolarHBondContact O-CG 3.48Å; I34-L38 PolarHBondContact O-N 2.92Å; V35-L38 PolarHBondContact O-N 3.5Å; L38-V40 VanDerWaalsContact C-N 3.31Å; L38-V40 PolarHBondContact O-N 3.2Å; L38-L41 PolarHBondContact O-N 2.64Å; L38-N42 VanDerWaalsContact O-CB 3.31Å; L38-N42 WeakPolarHBondContact O-CB 3.45Å; L38-N42 VanDerWaalsContact O-CG 3.25Å; L38-N42 PolarHBondContact O-N 3.37Å; L38-N42 PolarHBondContact O-ND2 3.32Å; L38-N42 VanDerWaalsContact O-ND2 3.12Å; L38-F65 HydrophobicContact CD2-CE1 3.83Å; L38-F65 HydrophobicContact CD2-CZ 3.75Å; L38-Y66 HydrophobicContact CD2-CE1 4.02Å; L38-L69 HydrophobicContact CD1-CD2 4.07Å; L38-L69 HydrophobicContact CD2-CD2 3.82Å; L38-I81 HydrophobicContact CD1-CG2 3.63Å; L38-L409 HydrophobicContact CD2-CD1 4.07Å; L38-L409 HydrophobicContact CG-CD1 4.33Å; L38-L409 HydrophobicContact CG-CD2 4.14Å
39N96.5Very high95Very high94 Ų9455 Ų5550%0.50330%0.296SS..Hα-helixtrans-60.7-43.1174.5-68.8-30000110.9V35 E36 L37 L41 N42 S43V35-N39 PolarHBondContact O-N 2.96Å; V35-N39 VanDerWaalsContact O-N 3.12Å; V35-N39 PolarHBondContact O-ND2 2.68Å; E36-N39 WeakPolarHBondContact O-CB 3.44Å; E36-N39 PolarHBondContact O-N 2.7Å; L37-N39 VanDerWaalsContact C-N 3.33Å; N39-L41 PolarHBondContact O-N 3.1Å; N39-N42 PolarHBondContact O-N 2.96Å; N39-S43 WeakPolarHBondContact O-CB 3.49Å; N39-S43 PolarHBondContact O-N 3.4Å; N39-S43 PolarHBondContact O-OG 3.19Å; N39-S43 VanDerWaalsContact O-OG 3.06Å
40V96.6Very high94.7Very high66 Ų6654.5 Ų54.540%0.429%0.293SS..Hα-helixtrans-59.4-47.7174.8176.90000111.3E36 L37 L38 N44 L405E36-V40 PolarHBondContact O-N 2.76Å; E36-V40 VanDerWaalsContact O-N 3.16Å; L37-V40 WeakPolarHBondContact O-CB 3.48Å; L37-V40 PolarHBondContact O-N 3.34Å; L38-V40 VanDerWaalsContact C-N 3.31Å; L38-V40 PolarHBondContact O-N 3.2Å; V40-N44 PolarHBondContact O-N 3.46Å; V40-N44 PolarHBondContact O-ND2 2.88Å; V40-L405 HydrophobicContact CB-CD2 4.05Å; V40-L405 HydrophobicContact CG1-CD2 3.78Å
41L97.4Very high94.4Very high0 Ų059 Ų590%032%0.324CS..Hα-helixtrans-63-48179.8-176.858.6000111.2L37 L38 N39 S43 N44 F45 V62 F65 Y66 Y399 L405 A406 L409L37-L41 PolarHBondContact O-N 3.12Å; L38-L41 PolarHBondContact O-N 2.64Å; N39-L41 PolarHBondContact O-N 3.1Å; L41-S43 PolarHBondContact O-N 2.96Å; L41-N44 PolarHBondContact O-N 3.04Å; L41-F45 HydrophobicContact CG-CE1 4.21Å; L41-F45 VanDerWaalsContact O-CD1 3.25Å; L41-F45 WeakPolarHBondContact O-CD1 3.47Å; L41-F45 PolarHBondContact O-N 3.06Å; L41-V62 HydrophobicContact CD2-CG1 4.44Å; L41-F65 HydrophobicContact CD2-CD1 3.89Å; L41-F65 HydrophobicContact CD2-CE1 3.74Å; L41-Y66 HydrophobicContact CD2-CE2 3.99Å; L41-Y66 WeakPolarHBondContact CD2-OH 3.32Å; L41-Y399 HydrophobicContact CD1-CD1 3.98Å; L41-Y399 HydrophobicContact CD1-CG 4.28Å; L41-L405 HydrophobicContact CB-CD2 3.92Å; L41-L405 HydrophobicContact CB-CG 4.36Å; L41-A406 HydrophobicContact CD2-CB 4.02Å; L41-L409 HydrophobicContact CB-CD1 4.07Å; L41-L409 HydrophobicContact CD2-CD1 3.7Å
42N96.3Very high94.4Very high45 Ų4559.5 Ų59.524%0.24133%0.326CS..Hα-helixtrans-58-45.2179-76.3-35.3000112.5L38 N39 N44 F45 Y66L38-N42 VanDerWaalsContact O-CB 3.31Å; L38-N42 WeakPolarHBondContact O-CB 3.45Å; L38-N42 VanDerWaalsContact O-CG 3.25Å; L38-N42 PolarHBondContact O-N 3.37Å; L38-N42 PolarHBondContact O-ND2 3.32Å; L38-N42 VanDerWaalsContact O-ND2 3.12Å; N39-N42 PolarHBondContact O-N 2.96Å; N42-N44 PolarHBondContact O-N 3.46Å; N42-N44 VanDerWaalsContact O-N 3.13Å; N42-F45 PolarHBondContact O-N 2.81Å; N42-Y66 PolarHBondContact OD1-OH 3.39Å
43S95.6Very high94.5Very high101 Ų10154.8 Ų54.871%0.70630%0.301SS*.THydrogen-bonded Turntrans-67.4-9.1178.4-63.70000114N39 L41N39-S43 WeakPolarHBondContact O-CB 3.49Å; N39-S43 PolarHBondContact O-N 3.4Å; N39-S43 PolarHBondContact O-OG 3.19Å; N39-S43 VanDerWaalsContact O-OG 3.06Å; L41-S43 PolarHBondContact O-N 2.96Å
44N94.7Very high94.6Very high25 Ų2552.9 Ų52.913%0.13430%0.295CS..THydrogen-bonded Turntrans-118.314.6-177-71.9-83.1000113.9V40 L41 N42 E46 K47 Y399V40-N44 PolarHBondContact O-N 3.46Å; V40-N44 PolarHBondContact O-ND2 2.88Å; L41-N44 PolarHBondContact O-N 3.04Å; N42-N44 PolarHBondContact O-N 3.46Å; N42-N44 VanDerWaalsContact O-N 3.13Å; N44-E46 PolarHBondContact O-N 3.45Å; N44-E46 VanDerWaalsContact O-N 3.14Å; N44-K47 HydrophobicContact CB-CD 4.25Å; N44-K47 WeakPolarHBondContact O-CB 3.38Å; N44-K47 PolarHBondContact O-N 3.19Å; N44-K47 VanDerWaalsContact OD1-CD 3.27Å; N44-K47 WeakPolarHBondContact OD1-CD 3.48Å; N44-K47 WeakPolarHBondContact OD1-CE 3.33Å; N44-K47 PolarHBondContact OD1-NZ 3.44Å; N44-Y399 HydrophobicContact CB-CD1 4Å; N44-Y399 HydrophobicContact CB-CD2 4.2Å; N44-Y399 HydrophobicContact CB-CE1 3.51Å; N44-Y399 HydrophobicContact CB-CE2 3.75Å; N44-Y399 HydrophobicContact CB-CG 4.32Å; N44-Y399 VanDerWaalsContact CG-CZ 3.44Å; N44-Y399 PolarHBondContact OD1-OH 3.26Å
45F90.2Very high94.6Very high14 Ų1452.9 Ų52.96%0.06130%0.295CS..G310 helixtrans-56.4-28.8176.9-88.622.3000114.8L41 N42 K47 L48 Y66 C88 L92 R95L41-F45 HydrophobicContact CG-CE1 4.21Å; L41-F45 VanDerWaalsContact O-CD1 3.25Å; L41-F45 WeakPolarHBondContact O-CD1 3.47Å; L41-F45 PolarHBondContact O-N 3.06Å; N42-F45 PolarHBondContact O-N 2.81Å; F45-K47 VanDerWaalsContact C-N 3.26Å; F45-K47 PolarHBondContact O-N 3.44Å; F45-L48 HydrophobicContact CD1-CD1 4.45Å; F45-L48 WeakPolarHBondContact O-CB 3.36Å; F45-L48 PolarHBondContact O-N 2.98Å; F45-Y66 AromaticContact CE1-CE2 3.52Å; F45-Y66 HydrophobicContact CE1-CE2 3.52Å; F45-Y66 AromaticContact CE1-CZ 3.8Å; F45-Y66 WeakPolarHBondContact CE1-OH 3.43Å; F45-Y66 HydrophobicContact CE2-CE2 4.47Å; F45-Y66 HydrophobicContact CZ-CD2 4.09Å; F45-Y66 AromaticContact CZ-CE2 3.25Å; F45-Y66 HydrophobicContact CZ-CE2 3.25Å; F45-Y66 AromaticContact CZ-CZ 3.56Å; F45-C88 HydrophobicContact CE2-CB 4.24Å; F45-C88 HydrophobicContact CZ-CB 4.15Å; F45-L92 HydrophobicContact CE2-CD1 4.46Å; F45-L92 HydrophobicContact CZ-CD1 4.36Å; F45-R95 PolarHBondContact O-NH1 3.1Å
46E87.6Confident94.7Very high188 Ų18851.4 Ų51.488%0.87928%0.283SS*.G310 helixtrans-71.8-23.2178.8-63.6-176.7171.400112.3N44 L48N44-E46 PolarHBondContact O-N 3.45Å; N44-E46 VanDerWaalsContact O-N 3.14Å; E46-L48 PolarHBondContact O-N 3.37Å
47K91.1Very high94.7Very high141 Ų14148 Ų4861%0.61327%0.269SS*.G310 helixtrans-77-10.3175.2-61.4-177.4179.5167.70112.9N44 F45 S49 Y399N44-K47 HydrophobicContact CB-CD 4.25Å; N44-K47 WeakPolarHBondContact O-CB 3.38Å; N44-K47 PolarHBondContact O-N 3.19Å; N44-K47 VanDerWaalsContact OD1-CD 3.27Å; N44-K47 WeakPolarHBondContact OD1-CD 3.48Å; N44-K47 WeakPolarHBondContact OD1-CE 3.33Å; N44-K47 PolarHBondContact OD1-NZ 3.44Å; F45-K47 VanDerWaalsContact C-N 3.26Å; F45-K47 PolarHBondContact O-N 3.44Å; K47-S49 PolarHBondContact O-N 3.38Å; K47-Y399 HydrophobicContact CB-CD2 4.2Å; K47-Y399 HydrophobicContact CB-CE2 3.97Å; K47-Y399 HydrophobicContact CD-CE2 3.66Å; K47-Y399 HydrophobicContact CG-CE2 4.44Å
48L92.4Very high94.7Very high14 Ų1447.3 Ų47.37%0.07327%0.266CS..SBendtrans-75.9120.4172.7-62.5172.2000109.5F45 E46 S50 L59 V62 L92 R95F45-L48 HydrophobicContact CD1-CD1 4.45Å; F45-L48 WeakPolarHBondContact O-CB 3.36Å; F45-L48 PolarHBondContact O-N 2.98Å; E46-L48 PolarHBondContact O-N 3.37Å; L48-S50 PolarHBondContact O-N 3.1Å; L48-L59 HydrophobicContact CB-CD2 3.71Å; L48-L59 HydrophobicContact CD1-CD2 4.11Å; L48-V62 HydrophobicContact CD1-CB 4.31Å; L48-V62 HydrophobicContact CD1-CG1 4.18Å; L48-V62 HydrophobicContact CD1-CG2 4Å; L48-V62 HydrophobicContact CD2-CG2 4.05Å; L48-L92 HydrophobicContact CD1-CD2 4.28Å; L48-R95 PolarHBondContact O-NH2 2.94Å; L48-R95 VanDerWaalsContact O-NH2 3.14Å
49S91.9Very high94.8Very high45 Ų4547 Ų4732%0.31527%0.265SS..  trans-57.5125178-176.70000110.9K47 S51 D52K47-S49 PolarHBondContact O-N 3.38Å; S49-S51 PolarHBondContact O-N 3.4Å; S49-S51 PolarHBondContact OG-N 2.86Å; S49-S51 PolarHBondContact OG-OG 3.33Å; S49-D52 PolarHBondContact O-N 3.23Å
50S88.1Confident94.9Very high50 Ų5042.5 Ų42.535%0.3524%0.241SC..THydrogen-bonded Turntrans-66-23.3176.7-66.60000113.3L48 R95 H99L48-S50 PolarHBondContact O-N 3.1Å; S50-R95 PolarHBondContact OG-NH2 2.88Å; S50-H99 VanDerWaalsContact O-CG 3.28Å; S50-H99 PolarHBondContact O-ND1 3.34Å
51S90.1Very high94.9Very high95 Ų9539.4 Ų39.466%0.66422%0.222SC*.THydrogen-bonded Turntrans-84.6-16.217860.10000113.9S49 V53S49-S51 PolarHBondContact O-N 3.4Å; S49-S51 PolarHBondContact OG-N 2.86Å; S49-S51 PolarHBondContact OG-OG 3.33Å; S51-V53 PolarHBondContact O-N 2.71Å
52D96.3Very high95Very high25 Ų2539.4 Ų39.413%0.13422%0.222CC..  trans-92.391.3176.8-171.7-2.2000109.5S49 S54 T57 G58 L59S49-D52 PolarHBondContact O-N 3.23Å; D52-S54 VanDerWaalsContact C-N 3.31Å; D52-S54 WeakPolarHBondContact OD1-CB 3.03Å; D52-S54 PolarHBondContact OD1-N 2.51Å; D52-S54 PolarHBondContact OD1-OG 2.86Å; D52-T57 WeakPolarHBondContact OD2-CB 3.22Å; D52-T57 PolarHBondContact OD2-OG1 3.25Å; D52-G58 CarbonylContact O-C 3.51Å; D52-G58 WeakPolarHBondContact O-CA 3.46Å; D52-G58 WeakPolarHBondContact OD1-CA 3.31Å; D52-L59 WeakPolarHBondContact O-CG 3.34Å; D52-L59 PolarHBondContact O-N 3.42Å
53V97.4Very high95.1Very high18 Ų1837.2 Ų37.211%0.10921%0.21CC..  trans-88.63.4176-56.80000112.8S51 S60 C96 H99 P118S51-V53 PolarHBondContact O-N 2.71Å; V53-S60 WeakPolarHBondContact O-CB 3.16Å; V53-S60 PolarHBondContact O-OG 3.25Å; V53-C96 HydrophobicContact CB-CB 4.35Å; V53-C96 HydrophobicContact CG1-CB 4.32Å; V53-H99 HydrophobicContact CG1-CB 3.75Å; V53-P118 HydrophobicContact CB-CG 3.85Å; V53-P118 HydrophobicContact CG2-CG 3.99Å; V53-P118 WeakPolarHBondContact O-CD 3.49Å; V53-P118 WeakPolarHBondContact O-CG 3.39Å
54S98Very high95.2Very high11 Ų1132.9 Ų32.98%0.07718%0.179CC..  trans-64.5154.6-174.771.90000112.9D52 Y56 T57 G58 S60 G61 Y112D52-S54 VanDerWaalsContact C-N 3.31Å; D52-S54 WeakPolarHBondContact OD1-CB 3.03Å; D52-S54 PolarHBondContact OD1-N 2.51Å; D52-S54 PolarHBondContact OD1-OG 2.86Å; S54-Y56 VanDerWaalsContact C-N 3.33Å; S54-T57 PolarHBondContact OG-N 3.48Å; S54-T57 PolarHBondContact OG-OG1 3.4Å; S54-G58 CarbonylContact O-C 3.53Å; S54-G58 WeakPolarHBondContact O-CA 3.33Å; S54-G58 PolarHBondContact O-N 3Å; S54-G58 PolarHBondContact OG-N 2.78Å; S54-G58 VanDerWaalsContact OG-N 3.09Å; S54-S60 PolarHBondContact O-OG 3.48Å; S54-S60 VanDerWaalsContact O-OG 3.07Å; S54-G61 PolarHBondContact O-N 2.85Å; S54-Y112 WeakPolarHBondContact CB-O 3.2Å
55M98.4Very high95.4Very high0 Ų031.7 Ų31.70%017%0.172CC..THydrogen-bonded Turntrans-77.1-26.6174.5-165.877.19100111.2S60 G61 L64 V111 Y112 G117 C120 L401 L425M55-S60 VanDerWaalsContact CA-OG 3.32Å; M55-S60 WeakPolarHBondContact CA-OG 3.24Å; M55-S60 PolarHBondContact N-OG 3.33Å; M55-S60 VanDerWaalsContact N-OG 3.11Å; M55-S60 VanDerWaalsContact SD-C 3.53Å; M55-S60 VanDerWaalsContact SD-O 3.38Å; M55-G61 WeakPolarHBondContact O-CA 3.38Å; M55-L64 HydrophobicContact CE-CD2 4.25Å; M55-L64 HydrophobicContact CG-CD2 4.33Å; M55-L64 HydrophobicContact SD-CB 3.71Å; M55-L64 HydrophobicContact SD-CD2 3.81Å; M55-L64 HydrophobicContact SD-CG 4.3Å; M55-V111 WeakPolarHBondContact CB-O 3.41Å; M55-V111 HydrophobicContact CE-CG2 3.93Å; M55-Y112 PolarHBondContact N-O 3.44Å; M55-G117 WeakPolarHBondContact CE-O 3.43Å; M55-C120 HydrophobicContact CE-CB 4.09Å; M55-L401 HydrophobicContact CG-CD2 4.29Å; M55-L425 HydrophobicContact CG-CD1 3.63Å
56Y98.4Very high95.8Very high24 Ų2431 Ų319%0.09417%0.169CC..THydrogen-bonded Turntrans-74.4-58.1-176.6-170.4-86.5000111.8S54 Y112 L162 W304 C351 M402 E403S54-Y56 VanDerWaalsContact C-N 3.33Å; Y56-Y112 WeakPolarHBondContact CB-O 3.42Å; Y56-Y112 HydrophobicContact CD2-CD1 4.09Å; Y56-Y112 PolarHBondContact N-O 2.89Å; Y56-L162 HydrophobicContact CD2-CD1 4.17Å; Y56-L162 HydrophobicContact CD2-CD2 3.7Å; Y56-L162 HydrophobicContact CE2-CD1 3.82Å; Y56-L162 HydrophobicContact CE2-CD2 3.83Å; Y56-W304 HydrophobicContact CE2-CZ3 4.33Å; Y56-C351 HydrophobicContact CE2-CB 4.44Å; Y56-C351 WeakPolarHBondContact OH-CB 3.29Å; Y56-C351 PolarHBondContact OH-SG 3.05Å; Y56-M402 HydrophobicContact CD1-CB 4Å; Y56-M402 HydrophobicContact CD1-CG 4.43Å; Y56-M402 HydrophobicContact CD2-CB 3.66Å; Y56-M402 HydrophobicContact CD2-CE 4.25Å; Y56-M402 HydrophobicContact CD2-CG 3.41Å; Y56-M402 VanDerWaalsContact CD2-CG 3.41Å; Y56-M402 HydrophobicContact CE1-CB 3.89Å; Y56-M402 HydrophobicContact CE2-CB 3.55Å; Y56-M402 HydrophobicContact CE2-CE 3.91Å; Y56-M402 HydrophobicContact CE2-CG 3.72Å; Y56-M402 HydrophobicContact CG-CB 3.85Å; Y56-M402 HydrophobicContact CG-CG 3.78Å; Y56-M402 WeakPolarHBondContact O-CB 3.42Å; Y56-M402 WeakPolarHBondContact O-CG 3.25Å; Y56-M402 PolarHBondContact O-N 3.49Å; Y56-E403 HydrophobicContact CE1-CG 4.3Å
57T97.4Very high96.3Very high28 Ų2822.7 Ų22.717%0.17213%0.131CC..THydrogen-bonded Turntrans-114-11-177.149.80000114.9D52 S54 R397 S400 E403D52-T57 WeakPolarHBondContact OD2-CB 3.22Å; D52-T57 PolarHBondContact OD2-OG1 3.25Å; S54-T57 PolarHBondContact OG-N 3.48Å; S54-T57 PolarHBondContact OG-OG1 3.4Å; T57-R397 HydrophobicContact CG2-CB 4Å; T57-R397 HydrophobicContact CG2-CG 3.75Å; T57-S400 WeakPolarHBondContact O-CB 3.39Å; T57-E403 HydrophobicContact CG2-CG 4.34Å
58G97.4Very high96.6Very high3 Ų318 Ų183%0.03111%0.111CC..SBendtrans-105-165.1-165.600000115.7D52 S54 S60 G61 V62D52-G58 CarbonylContact O-C 3.51Å; D52-G58 WeakPolarHBondContact O-CA 3.46Å; D52-G58 WeakPolarHBondContact OD1-CA 3.31Å; S54-G58 CarbonylContact O-C 3.53Å; S54-G58 WeakPolarHBondContact O-CA 3.33Å; S54-G58 PolarHBondContact O-N 3Å; S54-G58 PolarHBondContact OG-N 2.78Å; S54-G58 VanDerWaalsContact OG-N 3.09Å; G58-S60 PolarHBondContact O-N 3.14Å; G58-G61 PolarHBondContact O-N 3.04Å; G58-V62 PolarHBondContact O-N 3.27Å
59L98.1Very high96.8Very high0 Ų017.4 Ų17.40%011%0.107CC..Hα-helixtrans-61.6-40.4-174.4-66.7173.2000113.5L48 D52 G61 V62 G63 L92 R95 C96L48-L59 HydrophobicContact CB-CD2 3.71Å; L48-L59 HydrophobicContact CD1-CD2 4.11Å; D52-L59 WeakPolarHBondContact O-CG 3.34Å; D52-L59 PolarHBondContact O-N 3.42Å; L59-G61 VanDerWaalsContact C-N 3.3Å; L59-G61 PolarHBondContact O-N 3.19Å; L59-V62 PolarHBondContact O-N 2.53Å; L59-G63 PolarHBondContact O-N 3.29Å; L59-L92 HydrophobicContact CD2-CD2 3.84Å; L59-R95 HydrophobicContact CD1-CB 3.86Å; L59-C96 WeakPolarHBondContact CB-SG 3.45Å
60S98.3Very high97Very high0 Ų016.5 Ų16.50%010%0.101CC..Hα-helixtrans-69.6-31.3-176.859.50000111.8V53 S54 M55 G58 G63 L64V53-S60 WeakPolarHBondContact O-CB 3.16Å; V53-S60 PolarHBondContact O-OG 3.25Å; S54-S60 PolarHBondContact O-OG 3.48Å; S54-S60 VanDerWaalsContact O-OG 3.07Å; M55-S60 VanDerWaalsContact CA-OG 3.32Å; M55-S60 WeakPolarHBondContact CA-OG 3.24Å; M55-S60 PolarHBondContact N-OG 3.33Å; M55-S60 VanDerWaalsContact N-OG 3.11Å; M55-S60 VanDerWaalsContact SD-C 3.53Å; M55-S60 VanDerWaalsContact SD-O 3.38Å; G58-S60 PolarHBondContact O-N 3.14Å; S60-G63 CarbonylContact O-C 3.42Å; S60-G63 WeakPolarHBondContact O-CA 3.27Å; S60-G63 PolarHBondContact O-N 3.34Å; S60-L64 PolarHBondContact O-N 3.48Å
61G98.6Very high97.2Very high0 Ų018.7 Ų18.70%011%0.106CC..Hα-helixtrans-64.9-44.2174.100000112.7S54 M55 G58 L59 G63 L64 F65S54-G61 PolarHBondContact O-N 2.85Å; M55-G61 WeakPolarHBondContact O-CA 3.38Å; G58-G61 PolarHBondContact O-N 3.04Å; L59-G61 VanDerWaalsContact C-N 3.3Å; L59-G61 PolarHBondContact O-N 3.19Å; G61-G63 VanDerWaalsContact C-N 3.28Å; G61-G63 PolarHBondContact O-N 2.88Å; G61-L64 WeakPolarHBondContact O-CB 2.94Å; G61-L64 PolarHBondContact O-N 2.95Å; G61-F65 PolarHBondContact O-N 3.15Å; G61-F65 VanDerWaalsContact O-N 3.14Å
62V98.6Very high97.4Very high0 Ų015 Ų150%08%0.08CC..Hα-helixtrans-64.3-38.3173.5-175.60000110.3L41 L48 G58 L59 F65 Y66 L92 Y399 A406L41-V62 HydrophobicContact CD2-CG1 4.44Å; L48-V62 HydrophobicContact CD1-CB 4.31Å; L48-V62 HydrophobicContact CD1-CG1 4.18Å; L48-V62 HydrophobicContact CD1-CG2 4Å; L48-V62 HydrophobicContact CD2-CG2 4.05Å; G58-V62 PolarHBondContact O-N 3.27Å; L59-V62 PolarHBondContact O-N 2.53Å; V62-F65 WeakPolarHBondContact O-CB 3.32Å; V62-F65 PolarHBondContact O-N 3.35Å; V62-Y66 HydrophobicContact CG1-CD2 3.99Å; V62-Y66 HydrophobicContact CG1-CE2 3.77Å; V62-Y66 VanDerWaalsContact O-CD2 3.28Å; V62-Y66 WeakPolarHBondContact O-CD2 3.37Å; V62-Y66 PolarHBondContact O-N 3.17Å; V62-Y66 VanDerWaalsContact O-N 3.12Å; V62-L92 HydrophobicContact CB-CD1 4.1Å; V62-L92 HydrophobicContact CG1-CD1 3.76Å; V62-Y399 WeakPolarHBondContact CG2-O 3.33Å; V62-A406 HydrophobicContact CB-CB 4.46Å; V62-A406 HydrophobicContact CG1-CB 4.31Å; V62-A406 HydrophobicContact CG2-CB 4.13Å
63G98.5Very high97.1Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-61.8-40.9173.900000112.7L59 S60 G61 F65 Y66 N67L59-G63 PolarHBondContact O-N 3.29Å; S60-G63 CarbonylContact O-C 3.42Å; S60-G63 WeakPolarHBondContact O-CA 3.27Å; S60-G63 PolarHBondContact O-N 3.34Å; G61-G63 VanDerWaalsContact C-N 3.28Å; G61-G63 PolarHBondContact O-N 2.88Å; G63-F65 VanDerWaalsContact C-N 3.31Å; G63-F65 PolarHBondContact O-N 3.43Å; G63-Y66 PolarHBondContact O-N 3.08Å; G63-Y66 VanDerWaalsContact O-N 3.16Å; G63-N67 WeakPolarHBondContact O-CB 3.42Å; G63-N67 PolarHBondContact O-N 3.29Å
64L98.6Very high96.8Very high9 Ų923.3 Ų23.35%0.04712%0.116CC..Hα-helixtrans-61.7-40.2176.2-178.567.1000111.5M55 S60 G61 N67 F68 L121 L124 L401 P424 L425M55-L64 HydrophobicContact CE-CD2 4.25Å; M55-L64 HydrophobicContact CG-CD2 4.33Å; M55-L64 HydrophobicContact SD-CB 3.71Å; M55-L64 HydrophobicContact SD-CD2 3.81Å; M55-L64 HydrophobicContact SD-CG 4.3Å; S60-L64 PolarHBondContact O-N 3.48Å; G61-L64 WeakPolarHBondContact O-CB 2.94Å; G61-L64 PolarHBondContact O-N 2.95Å; L64-N67 PolarHBondContact O-N 3Å; L64-F68 WeakPolarHBondContact O-CB 3.49Å; L64-F68 PolarHBondContact O-N 2.88Å; L64-L121 HydrophobicContact CB-CD1 4.47Å; L64-L124 HydrophobicContact CD1-CD1 3.82Å; L64-L401 HydrophobicContact CD2-CD2 3.96Å; L64-P424 HydrophobicContact CD2-CB 4.2Å; L64-L425 HydrophobicContact CD2-CD1 4.13Å; L64-L425 HydrophobicContact CD2-CD2 4.23Å; L64-L425 HydrophobicContact CD2-CG 4.11Å
65F98.5Very high96.5Very high0 Ų032 Ų320%016%0.155CC..Hα-helixtrans-59.5-48.4172160.7-107.6000112.1L38 L41 G61 V62 G63 N67 F68 L69 L401 A406 L409 Y410 V413L38-F65 HydrophobicContact CD2-CE1 3.83Å; L38-F65 HydrophobicContact CD2-CZ 3.75Å; L41-F65 HydrophobicContact CD2-CD1 3.89Å; L41-F65 HydrophobicContact CD2-CE1 3.74Å; G61-F65 PolarHBondContact O-N 3.15Å; G61-F65 VanDerWaalsContact O-N 3.14Å; V62-F65 WeakPolarHBondContact O-CB 3.32Å; V62-F65 PolarHBondContact O-N 3.35Å; G63-F65 VanDerWaalsContact C-N 3.31Å; G63-F65 PolarHBondContact O-N 3.43Å; F65-N67 VanDerWaalsContact C-N 3.29Å; F65-N67 PolarHBondContact O-N 3.38Å; F65-F68 WeakPolarHBondContact O-CB 3.27Å; F65-F68 PolarHBondContact O-N 2.85Å; F65-F68 VanDerWaalsContact O-N 3.17Å; F65-L69 HydrophobicContact CE2-CB 4.4Å; F65-L69 HydrophobicContact CZ-CB 4.41Å; F65-L69 HydrophobicContact CZ-CD2 4.22Å; F65-L69 PolarHBondContact O-N 2.92Å; F65-L401 HydrophobicContact CB-CD1 4.41Å; F65-A406 HydrophobicContact CB-CB 4.14Å; F65-A406 HydrophobicContact CD1-CB 4.21Å; F65-A406 HydrophobicContact CG-CB 4.26Å; F65-L409 HydrophobicContact CD2-CB 4.14Å; F65-L409 HydrophobicContact CE1-CB 4.11Å; F65-L409 HydrophobicContact CE1-CD1 3.98Å; F65-L409 HydrophobicContact CE2-CB 3.42Å; F65-L409 VanDerWaalsContact CE2-CB 3.42Å; F65-L409 HydrophobicContact CZ-CB 3.4Å; F65-L409 HydrophobicContact CZ-CD1 3.88Å; F65-L409 HydrophobicContact CZ-CG 4.15Å; F65-Y410 HydrophobicContact CB-CD2 4.22Å; F65-Y410 HydrophobicContact CD2-CD2 4.24Å; F65-V413 HydrophobicContact CE2-CG2 4.25Å
66Y98.4Very high96.2Very high0 Ų035.5 Ų35.50%017%0.174CC..Hα-helixtrans-65.6-32.8179.1-81.1-66.9000113.3L38 L41 N42 F45 V62 G63 L69 S70 C88 T89 L92L38-Y66 HydrophobicContact CD2-CE1 4.02Å; L41-Y66 HydrophobicContact CD2-CE2 3.99Å; L41-Y66 WeakPolarHBondContact CD2-OH 3.32Å; N42-Y66 PolarHBondContact OD1-OH 3.39Å; F45-Y66 AromaticContact CE1-CE2 3.52Å; F45-Y66 HydrophobicContact CE1-CE2 3.52Å; F45-Y66 AromaticContact CE1-CZ 3.8Å; F45-Y66 WeakPolarHBondContact CE1-OH 3.43Å; F45-Y66 HydrophobicContact CE2-CE2 4.47Å; F45-Y66 HydrophobicContact CZ-CD2 4.09Å; F45-Y66 AromaticContact CZ-CE2 3.25Å; F45-Y66 HydrophobicContact CZ-CE2 3.25Å; F45-Y66 AromaticContact CZ-CZ 3.56Å; V62-Y66 HydrophobicContact CG1-CD2 3.99Å; V62-Y66 HydrophobicContact CG1-CE2 3.77Å; V62-Y66 VanDerWaalsContact O-CD2 3.28Å; V62-Y66 WeakPolarHBondContact O-CD2 3.37Å; V62-Y66 PolarHBondContact O-N 3.17Å; V62-Y66 VanDerWaalsContact O-N 3.12Å; G63-Y66 PolarHBondContact O-N 3.08Å; G63-Y66 VanDerWaalsContact O-N 3.16Å; Y66-L69 HydrophobicContact CD1-CD2 4.09Å; Y66-L69 HydrophobicContact CE1-CD2 4.28Å; Y66-L69 PolarHBondContact O-N 3.01Å; Y66-S70 PolarHBondContact O-N 3.43Å; Y66-C88 HydrophobicContact CD1-CB 3.62Å; Y66-C88 HydrophobicContact CD2-CB 3.78Å; Y66-C88 HydrophobicContact CE1-CB 4Å; Y66-C88 HydrophobicContact CE2-CB 4.18Å; Y66-C88 HydrophobicContact CG-CB 3.5Å; Y66-C88 VanDerWaalsContact CG-CB 3.5Å; Y66-T89 WeakPolarHBondContact CB-OG1 3.43Å; Y66-L92 HydrophobicContact CD2-CD1 3.73Å; Y66-L92 HydrophobicContact CE2-CD1 4.26Å
67N97.7Very high95.9Very high13 Ų1334.5 Ų34.57%0.0717%0.17CC..Hα-helixtrans-66.4-41.6172.8-172.974.5000111.3G63 L64 F65 S70 Q71 T89 L121 S125G63-N67 WeakPolarHBondContact O-CB 3.42Å; G63-N67 PolarHBondContact O-N 3.29Å; L64-N67 PolarHBondContact O-N 3Å; F65-N67 VanDerWaalsContact C-N 3.29Å; F65-N67 PolarHBondContact O-N 3.38Å; N67-S70 PolarHBondContact O-N 2.83Å; N67-S70 PolarHBondContact O-OG 3.25Å; N67-Q71 PolarHBondContact ND2-NE2 3.03Å; N67-Q71 VanDerWaalsContact O-CG 3.32Å; N67-Q71 WeakPolarHBondContact O-CG 3.48Å; N67-Q71 PolarHBondContact O-N 3.14Å; N67-T89 WeakPolarHBondContact CA-OG1 3.32Å; N67-T89 HydrophobicContact CB-CG2 3.9Å; N67-T89 PolarHBondContact N-OG1 2.97Å; N67-L121 HydrophobicContact CB-CD1 4.24Å; N67-S125 WeakPolarHBondContact OD1-CA 3.47Å
68F97.2Very high95.6Very high44 Ų4438 Ų3819%0.19319%0.188CC..Hα-helixtrans-63-43.8173.8173.5-113.3000111.9L64 F65 S70 Q71 C72 Y410 V413L64-F68 WeakPolarHBondContact O-CB 3.49Å; L64-F68 PolarHBondContact O-N 2.88Å; F65-F68 WeakPolarHBondContact O-CB 3.27Å; F65-F68 PolarHBondContact O-N 2.85Å; F65-F68 VanDerWaalsContact O-N 3.17Å; F68-S70 VanDerWaalsContact C-N 3.34Å; F68-S70 PolarHBondContact O-N 3.41Å; F68-Q71 PolarHBondContact O-N 3.35Å; F68-C72 PolarHBondContact O-N 2.84Å; F68-Y410 HydrophobicContact CB-CD2 4.11Å; F68-Y410 HydrophobicContact CB-CE2 3.49Å; F68-Y410 VanDerWaalsContact CB-CE2 3.49Å; F68-Y410 HydrophobicContact CD1-CD1 4.15Å; F68-Y410 AromaticContact CD1-CD2 3.8Å; F68-Y410 HydrophobicContact CD1-CD2 3.8Å; F68-Y410 HydrophobicContact CD1-CE1 4.05Å; F68-Y410 AromaticContact CD1-CE2 3.69Å; F68-Y410 HydrophobicContact CD1-CE2 3.69Å; F68-Y410 HydrophobicContact CD1-CG 4.01Å; F68-Y410 AromaticContact CD1-CZ 3.81Å; F68-Y410 HydrophobicContact CD2-CE1 4.49Å; F68-Y410 HydrophobicContact CD2-CE2 4.28Å; F68-Y410 AromaticContact CD2-CZ 3.91Å; F68-Y410 HydrophobicContact CE1-CD1 4.11Å; F68-Y410 HydrophobicContact CE1-CE1 4.04Å; F68-Y410 HydrophobicContact CE1-CE2 4.49Å; F68-Y410 HydrophobicContact CE1-CG 4.34Å; F68-Y410 WeakPolarHBondContact CE1-O 3.44Å; F68-Y410 HydrophobicContact CG-CD2 4.13Å; F68-Y410 HydrophobicContact CG-CE1 4.27Å; F68-Y410 AromaticContact CG-CE2 3.56Å; F68-Y410 HydrophobicContact CG-CE2 3.56Å; F68-Y410 AromaticContact CG-CZ 3.63Å; F68-Y410 HydrophobicContact CZ-CE1 4.29Å; F68-V413 HydrophobicContact CD1-CB 4.41Å; F68-V413 HydrophobicContact CD1-CG1 4.1Å; F68-V413 HydrophobicContact CE1-CB 3.82Å; F68-V413 HydrophobicContact CE1-CG1 3.55Å; F68-V413 HydrophobicContact CZ-CG1 4.21Å
69L97.2Very high95.4Very high0 Ų045.7 Ų45.70%022%0.216CC..Hα-helixtrans-59.9-42.1176.5176.264.5000112.2L38 F65 Y66 Q71 C72 L77 I81 V413L38-L69 HydrophobicContact CD1-CD2 4.07Å; L38-L69 HydrophobicContact CD2-CD2 3.82Å; F65-L69 HydrophobicContact CE2-CB 4.4Å; F65-L69 HydrophobicContact CZ-CB 4.41Å; F65-L69 HydrophobicContact CZ-CD2 4.22Å; F65-L69 PolarHBondContact O-N 2.92Å; Y66-L69 HydrophobicContact CD1-CD2 4.09Å; Y66-L69 HydrophobicContact CE1-CD2 4.28Å; Y66-L69 PolarHBondContact O-N 3.01Å; L69-Q71 PolarHBondContact O-N 2.86Å; L69-C72 WeakPolarHBondContact O-CB 3.3Å; L69-C72 PolarHBondContact O-N 3.39Å; L69-L77 HydrophobicContact CD1-CD1 3.9Å; L69-I81 HydrophobicContact CD1-CG2 3.89Å; L69-I81 HydrophobicContact CD2-CG2 3.77Å; L69-I81 HydrophobicContact CG-CG2 4.13Å; L69-V413 HydrophobicContact CD1-CG1 4.37Å; L69-V413 HydrophobicContact CD1-CG2 3.94Å
70S95.8Very high95.3Very high27 Ų2753 Ų5319%0.18925%0.248CC..Hα-helixtrans-66.8-27-17973.50000113Y66 N67 F68 R82Y66-S70 PolarHBondContact O-N 3.43Å; N67-S70 PolarHBondContact O-N 2.83Å; N67-S70 PolarHBondContact O-OG 3.25Å; F68-S70 VanDerWaalsContact C-N 3.34Å; F68-S70 PolarHBondContact O-N 3.41Å; S70-R82 WeakPolarHBondContact CB-O 3.41Å
71Q93.3Very high95.1Very high95 Ų9554.4 Ų54.444%0.44426%0.255SS..Hα-helixtrans-88.6-9.7179.2-66.2177.3-8.900113.7N67 F68 L69 K73N67-Q71 PolarHBondContact ND2-NE2 3.03Å; N67-Q71 VanDerWaalsContact O-CG 3.32Å; N67-Q71 WeakPolarHBondContact O-CG 3.48Å; N67-Q71 PolarHBondContact O-N 3.14Å; F68-Q71 PolarHBondContact O-N 3.35Å; L69-Q71 PolarHBondContact O-N 2.86Å; Q71-K73 PolarHBondContact O-N 3.25Å
72C93.2Very high94.9Very high17 Ų1757.2 Ų57.212%0.11527%0.266CS..  trans-59130.3179-175.60000110.8F68 L69 L77 R82 V413F68-C72 PolarHBondContact O-N 2.84Å; L69-C72 WeakPolarHBondContact O-CB 3.3Å; L69-C72 PolarHBondContact O-N 3.39Å; C72-L77 HydrophobicContact CB-CD1 4.46Å; C72-R82 WeakPolarHBondContact O-CD 3.23Å; C72-V413 HydrophobicContact CB-CG1 4.17Å
73K90.6Very high94.8Very high194 Ų19461.9 Ų61.984%0.84329%0.287SS*.  trans-100.4-0.9178.8-62.6-178.2-177.31750113.5Q71 E75Q71-K73 PolarHBondContact O-N 3.25Å; K73-E75 PolarHBondContact O-N 2.79Å
74C91.4Very high94.6Very high25 Ų2565.1 Ų65.117%0.16931%0.305CS..  trans-67.6125.9-177.8-1720000110.8L76 L77 L416C74-L76 PolarHBondContact O-N 3.12Å; C74-L77 PolarHBondContact O-N 3.37Å; C74-L416 HydrophobicContact CB-CB 4.11Å
75E91.1Very high94.5Very high192 Ų19264.7 Ų64.790%0.89730%0.302SS*.THydrogen-bonded Turntrans-69.9-15.7-178.7-63.5-174.8167.700113.3K73 L77K73-E75 PolarHBondContact O-N 2.79Å; E75-L77 PolarHBondContact O-N 2.87Å
76L91.9Very high94.4Very high75 Ų7568 Ų6839%0.39332%0.322SS..THydrogen-bonded Turntrans-65.8-16.9173.1-61.6176.7000112.8E26 P31 C74 L416E26-L76 HydrophobicContact CB-CD1 4Å; E26-L76 HydrophobicContact CB-CD2 4.29Å; P31-L76 HydrophobicContact CB-CB 4.36Å; P31-L76 HydrophobicContact CG-CB 4.36Å; P31-L76 HydrophobicContact CG-CD1 4.08Å; C74-L76 PolarHBondContact O-N 3.12Å; L76-L416 HydrophobicContact CD1-CD2 4.43Å
77L91.9Very high94.3Very high3 Ų370.5 Ų70.52%0.01634%0.343CS..SBendtrans-103.4128.9173-65180000110.3I34 L69 C72 C74 E75 R82 V413 L416I34-L77 HydrophobicContact CD1-CD2 4.45Å; I34-L77 HydrophobicContact CG2-CD2 3.99Å; L69-L77 HydrophobicContact CD1-CD1 3.9Å; C72-L77 HydrophobicContact CB-CD1 4.46Å; C74-L77 PolarHBondContact O-N 3.37Å; E75-L77 PolarHBondContact O-N 2.87Å; L77-R82 PolarHBondContact O-NH1 2.68Å; L77-V413 HydrophobicContact CD1-CG1 4.16Å; L77-V413 HydrophobicContact CD1-CG2 4.31Å; L77-L416 HydrophobicContact CD1-CD1 3.58Å; L77-L416 HydrophobicContact CD2-CD1 3.88Å; L77-L416 HydrophobicContact CG-CD1 3.48Å; L77-L416 VanDerWaalsContact CG-CD1 3.48Å
78D91.6Very high94.3Very high101 Ų10170.3 Ų70.354%0.5434%0.343SS..  trans-58.8140.5176.7-169.2-35.1000110.9K80 I81 R82D78-K80 PolarHBondContact O-N 3.03Å; D78-K80 PolarHBondContact OD1-N 2.92Å; D78-I81 HydrophobicContact CB-CD1 4.16Å; D78-I81 HydrophobicContact CB-CG1 4.27Å; D78-I81 WeakPolarHBondContact O-CB 3.47Å; D78-I81 PolarHBondContact O-N 3.39Å; D78-R82 PolarHBondContact O-N 3.07Å
79R93.6Very high94.3Very high165 Ų16568.3 Ų68.362%0.62333%0.334SS*.Hα-helixtrans-50.5-39.4170.9-179.3178.3168.4171-0.4112.8I81 R82 E83R79-I81 VanDerWaalsContact C-N 3.26Å; R79-I81 PolarHBondContact O-N 2.97Å; R79-R82 WeakPolarHBondContact O-CB 3.26Å; R79-R82 PolarHBondContact O-N 2.91Å; R79-R82 VanDerWaalsContact O-N 3.1Å; R79-E83 HydrophobicContact CG-CG 4.42Å; R79-E83 IonicContact CZ-OE1 3.67Å; R79-E83 IonicContact NE-OE1 3.97Å; R79-E83 PolarHBondContact NE-OE1 3.06Å; R79-E83 IonicContact NH2-OE1 2.74Å; R79-E83 PolarHBondContact NH2-OE1 3.49Å; R79-E83 PolarHBondContact O-N 3.02Å
80K95Very high94.2Very high154 Ų15473.6 Ų73.667%0.6736%0.359SS*.Hα-helixtrans-61.2-34178.9-173.7177.7179.8-179.20112.5D78 R82 N84D78-K80 PolarHBondContact O-N 3.03Å; D78-K80 PolarHBondContact OD1-N 2.92Å; K80-R82 VanDerWaalsContact C-N 3.34Å; K80-N84 WeakPolarHBondContact O-CB 3.37Å; K80-N84 PolarHBondContact O-N 3.33Å
81I95.5Very high94.2Very high29 Ų2978 Ų7815%0.14938%0.375CS..Hα-helixtrans-65.3-41.9176.4-67.3171.2000110V35 L38 L69 D78 R79 N84 G85V35-I81 HydrophobicContact CG2-CD1 3.75Å; L38-I81 HydrophobicContact CD1-CG2 3.63Å; L69-I81 HydrophobicContact CD1-CG2 3.89Å; L69-I81 HydrophobicContact CD2-CG2 3.77Å; L69-I81 HydrophobicContact CG-CG2 4.13Å; D78-I81 HydrophobicContact CB-CD1 4.16Å; D78-I81 HydrophobicContact CB-CG1 4.27Å; D78-I81 WeakPolarHBondContact O-CB 3.47Å; D78-I81 PolarHBondContact O-N 3.39Å; R79-I81 VanDerWaalsContact C-N 3.26Å; R79-I81 PolarHBondContact O-N 2.97Å; I81-N84 PolarHBondContact O-N 3.48Å; I81-G85 PolarHBondContact O-N 3.21Å
82R94.4Very high94.4Very high59 Ų5973.5 Ų73.522%0.22335%0.354CS..Hα-helixtrans-67.4-42.7178.5-58.5-167.6-65.4-88.63.1112.3S70 C72 L77 D78 R79 K80 N84 G85 V86S70-R82 WeakPolarHBondContact CB-O 3.41Å; C72-R82 WeakPolarHBondContact O-CD 3.23Å; L77-R82 PolarHBondContact O-NH1 2.68Å; D78-R82 PolarHBondContact O-N 3.07Å; R79-R82 WeakPolarHBondContact O-CB 3.26Å; R79-R82 PolarHBondContact O-N 2.91Å; R79-R82 VanDerWaalsContact O-N 3.1Å; K80-R82 VanDerWaalsContact C-N 3.34Å; R82-N84 VanDerWaalsContact C-N 3.33Å; R82-N84 PolarHBondContact O-N 3.41Å; R82-G85 WeakPolarHBondContact O-CA 3.48Å; R82-G85 PolarHBondContact O-N 2.86Å; R82-V86 PolarHBondContact O-N 2.92Å; R82-V86 VanDerWaalsContact O-N 3.16Å
83E94.8Very high94.6Very high98 Ų9873.1 Ų73.146%0.45835%0.35SS..Hα-helixtrans-61.2-42.1174.8-71173.7175.100111.3R79 G85 V86 A87R79-E83 HydrophobicContact CG-CG 4.42Å; R79-E83 IonicContact CZ-OE1 3.67Å; R79-E83 IonicContact NE-OE1 3.97Å; R79-E83 PolarHBondContact NE-OE1 3.06Å; R79-E83 IonicContact NH2-OE1 2.74Å; R79-E83 PolarHBondContact NH2-OE1 3.49Å; R79-E83 PolarHBondContact O-N 3.02Å; E83-G85 VanDerWaalsContact C-N 3.26Å; E83-G85 PolarHBondContact O-N 3.17Å; E83-V86 PolarHBondContact O-N 3.45Å; E83-A87 PolarHBondContact O-N 3.4Å
84N95.4Very high94.8Very high67 Ų6768 Ų6836%0.35833%0.333SS..Hα-helixtrans-62.9-33.1171.8-175.967.3000112.6K80 I81 R82 A87 C88K80-N84 WeakPolarHBondContact O-CB 3.37Å; K80-N84 PolarHBondContact O-N 3.33Å; I81-N84 PolarHBondContact O-N 3.48Å; R82-N84 VanDerWaalsContact C-N 3.33Å; R82-N84 PolarHBondContact O-N 3.41Å; N84-A87 PolarHBondContact O-N 3.31Å; N84-C88 WeakPolarHBondContact O-CB 3.36Å; N84-C88 PolarHBondContact O-N 2.82Å; N84-C88 PolarHBondContact O-SG 3.18Å
85G96.7Very high95.1Very high0 Ų068.3 Ų68.30%033%0.33CS..Hα-helixtrans-59.9-41.6173.200000113.2I81 R82 E83 C88 T89I81-G85 PolarHBondContact O-N 3.21Å; R82-G85 WeakPolarHBondContact O-CA 3.48Å; R82-G85 PolarHBondContact O-N 2.86Å; E83-G85 VanDerWaalsContact C-N 3.26Å; E83-G85 PolarHBondContact O-N 3.17Å; G85-C88 PolarHBondContact O-N 2.89Å; G85-T89 WeakPolarHBondContact O-CB 3.37Å; G85-T89 PolarHBondContact O-N 3.36Å; G85-T89 PolarHBondContact O-OG1 2.91Å
86V95.9Very high95.4Very high69 Ų6959.1 Ų59.142%0.41829%0.287SS..Hα-helixtrans-59.8-51.9174.2-1780000110.4R82 E83 C88 T89 E90R82-V86 PolarHBondContact O-N 2.92Å; R82-V86 VanDerWaalsContact O-N 3.16Å; E83-V86 PolarHBondContact O-N 3.45Å; V86-C88 VanDerWaalsContact C-N 3.34Å; V86-C88 PolarHBondContact O-N 3.45Å; V86-T89 WeakPolarHBondContact O-CB 3.47Å; V86-T89 PolarHBondContact O-N 3.4Å; V86-T89 VanDerWaalsContact O-N 3.16Å; V86-E90 PolarHBondContact O-N 3.04Å
87A96Very high95.6Very high53 Ų5358.5 Ų58.544%0.43828%0.284SS..Hα-helixtrans-61.8-39.2-179.200000112.9E83 N84 K91E83-A87 PolarHBondContact O-N 3.4Å; N84-A87 PolarHBondContact O-N 3.31Å; A87-K91 WeakPolarHBondContact O-CB 3.41Å; A87-K91 PolarHBondContact O-N 3.2Å
88C97.3Very high95.8Very high9 Ų966.4 Ų66.46%0.06131%0.313CS..Hα-helixtrans-66.3-40.2176-70.40000112F45 Y66 N84 G85 V86 K91 L92F45-C88 HydrophobicContact CE2-CB 4.24Å; F45-C88 HydrophobicContact CZ-CB 4.15Å; Y66-C88 HydrophobicContact CD1-CB 3.62Å; Y66-C88 HydrophobicContact CD2-CB 3.78Å; Y66-C88 HydrophobicContact CE1-CB 4Å; Y66-C88 HydrophobicContact CE2-CB 4.18Å; Y66-C88 HydrophobicContact CG-CB 3.5Å; Y66-C88 VanDerWaalsContact CG-CB 3.5Å; N84-C88 WeakPolarHBondContact O-CB 3.36Å; N84-C88 PolarHBondContact O-N 2.82Å; N84-C88 PolarHBondContact O-SG 3.18Å; G85-C88 PolarHBondContact O-N 2.89Å; V86-C88 VanDerWaalsContact C-N 3.34Å; V86-C88 PolarHBondContact O-N 3.45Å; C88-K91 PolarHBondContact O-N 2.98Å; C88-L92 WeakPolarHBondContact O-CB 3.36Å; C88-L92 WeakPolarHBondContact O-CD1 3.07Å; C88-L92 VanDerWaalsContact O-CG 3.29Å; C88-L92 WeakPolarHBondContact O-CG 3.49Å; C88-L92 PolarHBondContact O-N 2.93Å
89T97.6Very high96Very high3 Ų365.3 Ų65.32%0.01831%0.305CS..Hα-helixtrans-59.6-51.9176.5-57.60000110.8Y66 N67 G85 V86 K91 L92 L93 L121Y66-T89 WeakPolarHBondContact CB-OG1 3.43Å; N67-T89 WeakPolarHBondContact CA-OG1 3.32Å; N67-T89 HydrophobicContact CB-CG2 3.9Å; N67-T89 PolarHBondContact N-OG1 2.97Å; G85-T89 WeakPolarHBondContact O-CB 3.37Å; G85-T89 PolarHBondContact O-N 3.36Å; G85-T89 PolarHBondContact O-OG1 2.91Å; V86-T89 WeakPolarHBondContact O-CB 3.47Å; V86-T89 PolarHBondContact O-N 3.4Å; V86-T89 VanDerWaalsContact O-N 3.16Å; T89-K91 VanDerWaalsContact C-N 3.35Å; T89-K91 PolarHBondContact O-N 2.99Å; T89-L92 PolarHBondContact O-N 3.33Å; T89-L93 WeakPolarHBondContact O-CB 3.47Å; T89-L93 PolarHBondContact O-N 2.87Å; T89-L121 HydrophobicContact CG2-CD1 4.04Å
90E96.2Very high96.1Very high111 Ų11159.1 Ų59.152%0.51928%0.284SS..Hα-helixtrans-59.6-44.1178.5-69.8179.6176.300111.8V86 L92 L93 N94V86-E90 PolarHBondContact O-N 3.04Å; E90-L92 PolarHBondContact O-N 2.95Å; E90-L93 PolarHBondContact O-N 2.92Å; E90-N94 WeakPolarHBondContact O-CB 3.43Å; E90-N94 VanDerWaalsContact O-CG 3.29Å; E90-N94 PolarHBondContact O-N 3.16Å; E90-N94 PolarHBondContact O-ND2 3.39Å; E90-N94 VanDerWaalsContact O-ND2 3.08Å
91K95.6Very high96.2Very high119 Ų11955.2 Ų55.252%0.51727%0.268SS..Hα-helixtrans-59.6-44.8177.1-179.4179.1178.2178.30111.9A87 C88 T89 R95A87-K91 WeakPolarHBondContact O-CB 3.41Å; A87-K91 PolarHBondContact O-N 3.2Å; C88-K91 PolarHBondContact O-N 2.98Å; T89-K91 VanDerWaalsContact C-N 3.35Å; T89-K91 PolarHBondContact O-N 2.99Å; K91-R95 WeakPolarHBondContact O-CG 3.44Å; K91-R95 PolarHBondContact O-N 3.34Å
92L97Very high96.2Very high0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-72-42.1-178.8-72165.4000111.7F45 L48 L59 V62 Y66 C88 T89 E90 R95 C96F45-L92 HydrophobicContact CE2-CD1 4.46Å; F45-L92 HydrophobicContact CZ-CD1 4.36Å; L48-L92 HydrophobicContact CD1-CD2 4.28Å; L59-L92 HydrophobicContact CD2-CD2 3.84Å; V62-L92 HydrophobicContact CB-CD1 4.1Å; V62-L92 HydrophobicContact CG1-CD1 3.76Å; Y66-L92 HydrophobicContact CD2-CD1 3.73Å; Y66-L92 HydrophobicContact CE2-CD1 4.26Å; C88-L92 WeakPolarHBondContact O-CB 3.36Å; C88-L92 WeakPolarHBondContact O-CD1 3.07Å; C88-L92 VanDerWaalsContact O-CG 3.29Å; C88-L92 WeakPolarHBondContact O-CG 3.49Å; C88-L92 PolarHBondContact O-N 2.93Å; T89-L92 PolarHBondContact O-N 3.33Å; E90-L92 PolarHBondContact O-N 2.95Å; L92-R95 WeakPolarHBondContact O-CB 3.29Å; L92-R95 PolarHBondContact O-N 3.47Å; L92-C96 PolarHBondContact O-N 3.38Å; L92-C96 PolarHBondContact O-SG 2.85Å
93L97.1Very high96.3Very high9 Ų961.7 Ų61.75%0.04730%0.3CS..Hα-helixtrans-58.7-49.7174.5177.762.2000110.9T89 E90 R95 C96 L97 L121 F139T89-L93 WeakPolarHBondContact O-CB 3.47Å; T89-L93 PolarHBondContact O-N 2.87Å; E90-L93 PolarHBondContact O-N 2.92Å; L93-R95 PolarHBondContact O-N 3.49Å; L93-C96 WeakPolarHBondContact O-CA 3.33Å; L93-C96 VanDerWaalsContact O-CB 3.32Å; L93-C96 WeakPolarHBondContact O-CB 3.35Å; L93-C96 PolarHBondContact O-N 3.31Å; L93-L97 HydrophobicContact CD1-CD1 4.23Å; L93-L97 HydrophobicContact CD1-CD2 4.26Å; L93-L97 HydrophobicContact CD1-CG 4.07Å; L93-L97 HydrophobicContact CG-CD1 4.07Å; L93-L97 HydrophobicContact CG-CG 4.3Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 2.72Å; L93-L121 HydrophobicContact CB-CD2 4.25Å; L93-L121 HydrophobicContact CD1-CD2 4.36Å; L93-L121 HydrophobicContact CD1-CG 4.35Å; L93-F139 HydrophobicContact CD2-CZ 4.5Å
94N96.1Very high96.2Very high88 Ų8862 Ų6247%0.47130%0.299SS..Hα-helixtrans-58.8-35.5177.5-77.7-37.4000112.7E90 R98E90-N94 WeakPolarHBondContact O-CB 3.43Å; E90-N94 VanDerWaalsContact O-CG 3.29Å; E90-N94 PolarHBondContact O-N 3.16Å; E90-N94 PolarHBondContact O-ND2 3.39Å; E90-N94 VanDerWaalsContact O-ND2 3.08Å; N94-R98 WeakPolarHBondContact O-CG 3.44Å; N94-R98 PolarHBondContact O-N 2.97Å; N94-R98 PolarHBondContact O-NH1 3.12Å; N94-R98 VanDerWaalsContact O-NH1 3.15Å
95R96Very high96.2Very high30 Ų3059 Ų5911%0.11328%0.283CS..Hα-helixtrans-66.7-41.5172.1-73.917670.8-1771.5111.7F45 L48 S50 L59 K91 L92 L93 R98 H99F45-R95 PolarHBondContact O-NH1 3.1Å; L48-R95 PolarHBondContact O-NH2 2.94Å; L48-R95 VanDerWaalsContact O-NH2 3.14Å; S50-R95 PolarHBondContact OG-NH2 2.88Å; L59-R95 HydrophobicContact CD1-CB 3.86Å; K91-R95 WeakPolarHBondContact O-CG 3.44Å; K91-R95 PolarHBondContact O-N 3.34Å; L92-R95 WeakPolarHBondContact O-CB 3.29Å; L92-R95 PolarHBondContact O-N 3.47Å; L93-R95 PolarHBondContact O-N 3.49Å; R95-R98 PolarHBondContact O-N 3.4Å; R95-H99 PolarHBondContact O-ND1 3.48Å
96C97.6Very high96Very high0 Ų062.1 Ų62.10%031%0.305CS..Hα-helixtrans-61.2-48.8177.1-62.70000111.3V53 L59 L92 L93 R98 H99 I100 P118V53-C96 HydrophobicContact CB-CB 4.35Å; V53-C96 HydrophobicContact CG1-CB 4.32Å; L59-C96 WeakPolarHBondContact CB-SG 3.45Å; L92-C96 PolarHBondContact O-N 3.38Å; L92-C96 PolarHBondContact O-SG 2.85Å; L93-C96 WeakPolarHBondContact O-CA 3.33Å; L93-C96 VanDerWaalsContact O-CB 3.32Å; L93-C96 WeakPolarHBondContact O-CB 3.35Å; L93-C96 PolarHBondContact O-N 3.31Å; C96-R98 PolarHBondContact O-N 3.4Å; C96-H99 CarbonylContact O-C 3.46Å; C96-H99 PolarHBondContact O-N 2.97Å; C96-I100 PolarHBondContact O-N 2.73Å; C96-P118 HydrophobicContact CB-CB 3.81Å; C96-P118 HydrophobicContact CB-CG 3.99Å
97L96.4Very high95.8Very high61 Ų6168.6 Ų68.632%0.31932%0.322SS..Hα-helixtrans-63.4-24.9-176.7-62178.8000113.3L93 H99 I100 F139L93-L97 HydrophobicContact CD1-CD1 4.23Å; L93-L97 HydrophobicContact CD1-CD2 4.26Å; L93-L97 HydrophobicContact CD1-CG 4.07Å; L93-L97 HydrophobicContact CG-CD1 4.07Å; L93-L97 HydrophobicContact CG-CG 4.3Å; L93-L97 WeakPolarHBondContact O-CG 3.38Å; L93-L97 PolarHBondContact O-N 2.72Å; L97-H99 VanDerWaalsContact C-N 3.34Å; L97-I100 WeakPolarHBondContact O-CG2 3.32Å; L97-F139 HydrophobicContact CD1-CE1 4.26Å; L97-F139 HydrophobicContact CD1-CZ 4.03Å; L97-F139 HydrophobicContact CD2-CE1 3.86Å; L97-F139 HydrophobicContact CD2-CZ 4.42Å
98R96.2Very high95.7Very high170 Ų17067.1 Ų67.164%0.64231%0.307SS*.Hα-helixtrans-73-22.9172.5-71.7-167.4-58.9-90.813.2114.4N94 R95 C96N94-R98 WeakPolarHBondContact O-CG 3.44Å; N94-R98 PolarHBondContact O-N 2.97Å; N94-R98 PolarHBondContact O-NH1 3.12Å; N94-R98 VanDerWaalsContact O-NH1 3.15Å; R95-R98 PolarHBondContact O-N 3.4Å; C96-R98 PolarHBondContact O-N 3.4Å
99H96.4Very high95.7Very high77 Ų7766.7 Ų66.736%0.35630%0.304SS..Hα-helixtrans-1192.9-174.1-58.389.3000112.8S50 V53 R95 C96 L97 E101S50-H99 VanDerWaalsContact O-CG 3.28Å; S50-H99 PolarHBondContact O-ND1 3.34Å; V53-H99 HydrophobicContact CG1-CB 3.75Å; R95-H99 PolarHBondContact O-ND1 3.48Å; C96-H99 CarbonylContact O-C 3.46Å; C96-H99 PolarHBondContact O-N 2.97Å; L97-H99 VanDerWaalsContact C-N 3.34Å; H99-E101 PolarHBondContact O-N 2.75Å
100I96.1Very high95.8Very high36 Ų3666.6 Ų66.619%0.18530%0.303CS..  trans-68.3131.1-178.9-163.6175.4000110.3C96 L97 L102 P115 P118 L119C96-I100 PolarHBondContact O-N 2.73Å; L97-I100 WeakPolarHBondContact O-CG2 3.32Å; I100-L102 HydrophobicContact CD1-CD2 3.85Å; I100-L102 HydrophobicContact CG1-CD2 4.21Å; I100-P115 HydrophobicContact CD1-CB 3.92Å; I100-P115 HydrophobicContact CG1-CB 3.72Å; I100-P115 HydrophobicContact CG1-CG 4.41Å; I100-P118 HydrophobicContact CD1-CB 3.95Å; I100-P118 HydrophobicContact CD1-CG 4.43Å; I100-L119 HydrophobicContact CD1-CD2 4.05Å; I100-L119 HydrophobicContact CD1-CG 4.01Å
101E95.7Very high95.9Very high72 Ų7261.3 Ų61.334%0.33628%0.278SS..  trans-115.480.4180-70.5-174.387.900110.5H99 K103 K104 P115H99-E101 PolarHBondContact O-N 2.75Å; E101-K103 HydrophobicContact CB-CG 4.48Å; E101-K103 PolarHBondContact O-N 3.13Å; E101-K103 WeakPolarHBondContact OE1-CE 3.44Å; E101-K103 IonicContact OE1-NZ 2.83Å; E101-K103 PolarHBondContact OE1-NZ 3.01Å; E101-K104 HydrophobicContact CB-CD 3.99Å; E101-K104 HydrophobicContact CB-CG 4.1Å; E101-K104 WeakPolarHBondContact O-CB 3.45Å; E101-K104 PolarHBondContact O-N 3.08Å; E101-K104 WeakPolarHBondContact OE2-CE 3.21Å; E101-K104 IonicContact OE2-NZ 2.72Å; E101-K104 PolarHBondContact OE2-NZ 3.42Å; E101-P115 VanDerWaalsContact O-CG 3.25Å; E101-P115 WeakPolarHBondContact O-CG 3.43Å
102L96.4Very high96.1Very high66 Ų6655.7 Ų55.735%0.34625%0.254SS..G310 helixtrans-54.5-29.5-176.6-64175.1000113.5I100 K104 L105 P115 L119 E142I100-L102 HydrophobicContact CD1-CD2 3.85Å; I100-L102 HydrophobicContact CG1-CD2 4.21Å; L102-K104 PolarHBondContact O-N 3Å; L102-L105 HydrophobicContact CB-CD1 4.5Å; L102-L105 HydrophobicContact CD2-CD1 4.12Å; L102-L105 VanDerWaalsContact O-CB 3.3Å; L102-L105 WeakPolarHBondContact O-CB 2.9Å; L102-L105 VanDerWaalsContact O-CG 3.31Å; L102-L105 WeakPolarHBondContact O-CG 3.21Å; L102-L105 PolarHBondContact O-N 3.44Å; L102-P115 HydrophobicContact CD2-CB 4.05Å; L102-L119 HydrophobicContact CD2-CD1 4.06Å; L102-E142 HydrophobicContact CD2-CG 4.15Å
103K95.1Very high96.1Very high158 Ų15857.5 Ų57.569%0.68727%0.265SS*.G310 helixtrans-56.4-21.7174.167.7-177.1178.7-172.50114.4E101 L105 S106E101-K103 HydrophobicContact CB-CG 4.48Å; E101-K103 PolarHBondContact O-N 3.13Å; E101-K103 WeakPolarHBondContact OE1-CE 3.44Å; E101-K103 IonicContact OE1-NZ 2.83Å; E101-K103 PolarHBondContact OE1-NZ 3.01Å; K103-L105 VanDerWaalsContact C-N 3.27Å; K103-L105 PolarHBondContact O-N 3.11Å; K103-S106 PolarHBondContact O-OG 3.07Å
104K94.3Very high96.1Very high105 Ų10557.3 Ų57.346%0.45726%0.264SS..G310 helixtrans-74-15.8178.2-71-178.9169.9167.60113.3E101 L102 S106 R107 N108 P115E101-K104 HydrophobicContact CB-CD 3.99Å; E101-K104 HydrophobicContact CB-CG 4.1Å; E101-K104 WeakPolarHBondContact O-CB 3.45Å; E101-K104 PolarHBondContact O-N 3.08Å; E101-K104 WeakPolarHBondContact OE2-CE 3.21Å; E101-K104 IonicContact OE2-NZ 2.72Å; E101-K104 PolarHBondContact OE2-NZ 3.42Å; L102-K104 PolarHBondContact O-N 3Å; K104-S106 PolarHBondContact O-N 2.61Å; K104-S106 VanDerWaalsContact O-N 3.14Å; K104-R107 PolarHBondContact O-N 3.21Å; K104-N108 PolarHBondContact O-N 3.43Å; K104-P115 HydrophobicContact CB-CG 4.35Å
105L95.1Very high96.2Very high3 Ų353.3 Ų53.32%0.01624%0.243CC..G310 helixtrans-60.6-23.2-179.1-70.5170.1000113.3L102 K103 R107 N108 I109 P115 I116 A146 Y149L102-L105 HydrophobicContact CB-CD1 4.5Å; L102-L105 HydrophobicContact CD2-CD1 4.12Å; L102-L105 VanDerWaalsContact O-CB 3.3Å; L102-L105 WeakPolarHBondContact O-CB 2.9Å; L102-L105 VanDerWaalsContact O-CG 3.31Å; L102-L105 WeakPolarHBondContact O-CG 3.21Å; L102-L105 PolarHBondContact O-N 3.44Å; K103-L105 VanDerWaalsContact C-N 3.27Å; K103-L105 PolarHBondContact O-N 3.11Å; L105-R107 PolarHBondContact O-N 2.9Å; L105-N108 WeakPolarHBondContact CA-O 3.46Å; L105-I109 HydrophobicContact CD2-CG2 4.48Å; L105-I109 WeakPolarHBondContact O-CG2 3.38Å; L105-P115 HydrophobicContact CD1-CB 4.4Å; L105-P115 HydrophobicContact CD2-CB 3.97Å; L105-P115 HydrophobicContact CD2-CG 4.15Å; L105-P115 HydrophobicContact CG-CB 4.08Å; L105-P115 HydrophobicContact CG-CG 4.07Å; L105-I116 HydrophobicContact CD2-CD1 3.76Å; L105-I116 HydrophobicContact CD2-CG1 3.64Å; L105-A146 HydrophobicContact CD1-CB 4.3Å; L105-A146 HydrophobicContact CD2-CB 4.44Å; L105-Y149 HydrophobicContact CB-CD2 3.97Å; L105-Y149 HydrophobicContact CB-CE2 3.79Å; L105-Y149 WeakPolarHBondContact O-CD2 3.42Å
106S92.2Very high96.3Very high65 Ų6551.9 Ų51.946%0.45524%0.238SC..G310 helixtrans-66.1-15.6174.558.40000114.6K103 K104K103-S106 PolarHBondContact O-OG 3.07Å; K104-S106 PolarHBondContact O-N 2.61Å; K104-S106 VanDerWaalsContact O-N 3.14Å
107R91.6Very high96.4Very high206 Ų20651.9 Ų51.978%0.77724%0.238SC*.THydrogen-bonded Turntrans-111.6-24-178.2-60.7179.4-176.3170.1-0.5113.5K104 L105K104-R107 PolarHBondContact O-N 3.21Å; L105-R107 PolarHBondContact O-N 2.9Å
108N94.5Very high96.5Very high22 Ų2249 Ų4912%0.11822%0.223CC..  trans-161.5124-172.9172.54.4000108.7K104 L105 S110 T113 S114 Y163K104-N108 PolarHBondContact O-N 3.43Å; L105-N108 WeakPolarHBondContact CA-O 3.46Å; N108-S110 VanDerWaalsContact OD1-CB 3.32Å; N108-S110 WeakPolarHBondContact OD1-CB 3.23Å; N108-S110 PolarHBondContact OD1-N 2.79Å; N108-T113 PolarHBondContact ND2-OG1 3.06Å; N108-S114 WeakPolarHBondContact O-CB 3.29Å; N108-Y163 VanDerWaalsContact OD1-C 3.3Å; N108-Y163 WeakPolarHBondContact OD1-CA 3.41Å; N108-Y163 PolarHBondContact OD1-O 3.3Å
109I97.5Very high96.6Very high0 Ų041.3 Ų41.30%019%0.194CC..  trans-11610.1179.858.8171.9000112.6L105 I116 A146 Y149 M157 Y168L105-I109 HydrophobicContact CD2-CG2 4.48Å; L105-I109 WeakPolarHBondContact O-CG2 3.38Å; I109-I116 VanDerWaalsContact O-CG1 3.25Å; I109-I116 WeakPolarHBondContact O-CG1 3.43Å; I109-A146 HydrophobicContact CG2-CB 4.27Å; I109-Y149 HydrophobicContact CG2-CD2 4.3Å; I109-M157 HydrophobicContact CD1-CE 4.21Å; I109-M157 HydrophobicContact CD1-SD 3.51Å; I109-M157 VanDerWaalsContact CD1-SD 3.51Å; I109-M157 HydrophobicContact CG1-CE 3.99Å; I109-M157 HydrophobicContact CG1-SD 3.51Å; I109-M157 VanDerWaalsContact CG1-SD 3.51Å; I109-M157 HydrophobicContact CG2-CE 3.93Å; I109-Y168 HydrophobicContact CB-CD2 4.26Å; I109-Y168 HydrophobicContact CB-CG 4.5Å; I109-Y168 HydrophobicContact CD1-CD1 4.16Å; I109-Y168 HydrophobicContact CD1-CD2 4.3Å; I109-Y168 HydrophobicContact CD1-CG 3.8Å; I109-Y168 HydrophobicContact CG1-CG 4.27Å
110S98.5Very high96.7Very high0 Ų037.7 Ų37.70%018%0.177CC..  trans-68.8136.8-178.61710000111.5N108 Y112 T113 S114 A161 L162N108-S110 VanDerWaalsContact OD1-CB 3.32Å; N108-S110 WeakPolarHBondContact OD1-CB 3.23Å; N108-S110 PolarHBondContact OD1-N 2.79Å; S110-Y112 PolarHBondContact O-N 2.92Å; S110-Y112 VanDerWaalsContact O-N 3.13Å; S110-Y112 WeakPolarHBondContact OG-CD2 3.47Å; S110-Y112 PolarHBondContact OG-N 2.93Å; S110-T113 PolarHBondContact O-N 3.17Å; S110-S114 PolarHBondContact N-OG 2.7Å; S110-S114 WeakPolarHBondContact O-CB 3.4Å; S110-S114 PolarHBondContact O-N 3.42Å; S110-S114 PolarHBondContact O-OG 2.96Å; S110-A161 WeakPolarHBondContact CB-O 3.23Å; S110-A161 PolarHBondContact OG-O 3.22Å; S110-L162 VanDerWaalsContact CB-C 3.45Å; S110-L162 WeakPolarHBondContact CB-O 3.4Å; S110-L162 VanDerWaalsContact OG-C 3.31Å; S110-L162 PolarHBondContact OG-O 3.24Å
111V98.8Very high96.8Very high0 Ų036 Ų360%017%0.169CC..THydrogen-bonded Turntrans-55.9-26.8170.471.20000112.8M55 I116 G117 C120 G167 N170 C171 L425M55-V111 WeakPolarHBondContact CB-O 3.41Å; M55-V111 HydrophobicContact CE-CG2 3.93Å; V111-I116 HydrophobicContact CB-CG2 4.03Å; V111-I116 HydrophobicContact CG2-CG2 4.22Å; V111-G117 WeakPolarHBondContact O-CA 3.4Å; V111-G117 PolarHBondContact O-N 3.3Å; V111-C120 HydrophobicContact CG2-CB 3.89Å; V111-G167 WeakPolarHBondContact CB-O 3.22Å; V111-G167 WeakPolarHBondContact CG1-O 3.45Å; V111-G167 PolarHBondContact N-O 2.93Å; V111-N170 HydrophobicContact CG1-CB 4.3Å; V111-C171 HydrophobicContact CB-CB 4.01Å; V111-C171 HydrophobicContact CG2-CB 4.13Å; V111-L425 HydrophobicContact CG1-CD1 4.08Å; V111-L425 HydrophobicContact CG1-CD2 4.42Å; V111-L425 HydrophobicContact CG2-CD1 4.49Å; V111-L425 HydrophobicContact CG2-CD2 4.21Å
112Y98.6Very high96.9Very high1 Ų132.5 Ų32.50%0.00415%0.153CC..THydrogen-bonded Turntrans-75.2-42.8-173.9-68.7-84.7000112.9S54 M55 Y56 S110 A161 L162 N170 W304 L425 L426S54-Y112 WeakPolarHBondContact CB-O 3.2Å; M55-Y112 PolarHBondContact N-O 3.44Å; Y56-Y112 WeakPolarHBondContact CB-O 3.42Å; Y56-Y112 HydrophobicContact CD2-CD1 4.09Å; Y56-Y112 PolarHBondContact N-O 2.89Å; S110-Y112 PolarHBondContact O-N 2.92Å; S110-Y112 VanDerWaalsContact O-N 3.13Å; S110-Y112 WeakPolarHBondContact OG-CD2 3.47Å; S110-Y112 PolarHBondContact OG-N 2.93Å; Y112-A161 WeakPolarHBondContact CD2-O 3.28Å; Y112-A161 HydrophobicContact CE2-CB 4.2Å; Y112-L162 HydrophobicContact CD1-CD2 4.06Å; Y112-L162 HydrophobicContact CD2-CD2 4.24Å; Y112-L162 HydrophobicContact CG-CD2 3.81Å; Y112-N170 HydrophobicContact CE2-CB 4.44Å; Y112-W304 HydrophobicContact CE1-CH2 4.5Å; Y112-L425 HydrophobicContact CD1-CD1 4.27Å; Y112-L425 HydrophobicContact CE1-CB 4.3Å; Y112-L425 HydrophobicContact CE1-CD1 3.83Å; Y112-L425 WeakPolarHBondContact OH-CB 3.3Å; Y112-L426 WeakPolarHBondContact OH-CB 3.4Å
113T97.9Very high96.9Very high38 Ų3829.4 Ų29.423%0.23314%0.136CC..THydrogen-bonded Turntrans-131.56.4-168.267.30000114.6N108 S110 L162 Y163N108-T113 PolarHBondContact ND2-OG1 3.06Å; S110-T113 PolarHBondContact O-N 3.17Å; T113-L162 WeakPolarHBondContact CB-O 3.29Å; T113-L162 HydrophobicContact CG2-CB 4.46Å; T113-L162 WeakPolarHBondContact CG2-O 3.46Å; T113-L162 PolarHBondContact OG1-O 3.45Å; T113-Y163 HydrophobicContact CG2-CD1 4.47Å; T113-Y163 HydrophobicContact CG2-CE1 4.02Å; T113-Y163 VanDerWaalsContact OG1-CD1 3.24Å; T113-Y163 WeakPolarHBondContact OG1-CD1 3.29Å; T113-Y163 WeakPolarHBondContact OG1-CE1 3.44Å
114S97.7Very high97Very high5 Ų522.2 Ų22.24%0.03511%0.105CC..SBendtrans-114.9174.8178.687.20000112.9N108 S110 I116 G117N108-S114 WeakPolarHBondContact O-CB 3.29Å; S110-S114 PolarHBondContact N-OG 2.7Å; S110-S114 WeakPolarHBondContact O-CB 3.4Å; S110-S114 PolarHBondContact O-N 3.42Å; S110-S114 PolarHBondContact O-OG 2.96Å; S114-I116 PolarHBondContact O-N 3.4Å; S114-I116 WeakPolarHBondContact OG-CB 3.42Å; S114-I116 WeakPolarHBondContact OG-CG1 3.47Å; S114-I116 PolarHBondContact OG-N 3.28Å; S114-I116 VanDerWaalsContact OG-N 3.08Å; S114-G117 PolarHBondContact O-N 2.95Å; S114-G117 VanDerWaalsContact O-N 3.08Å
115P97.9Very high97Very high5 Ų518.7 Ų18.73%0.0329%0.094CC..THydrogen-bonded Turntrans-53.4-18.9169.2-28.537.2000115.5I100 E101 L102 K104 L105 G117 P118 L119I100-P115 HydrophobicContact CD1-CB 3.92Å; I100-P115 HydrophobicContact CG1-CB 3.72Å; I100-P115 HydrophobicContact CG1-CG 4.41Å; E101-P115 VanDerWaalsContact O-CG 3.25Å; E101-P115 WeakPolarHBondContact O-CG 3.43Å; L102-P115 HydrophobicContact CD2-CB 4.05Å; K104-P115 HydrophobicContact CB-CG 4.35Å; L105-P115 HydrophobicContact CD1-CB 4.4Å; L105-P115 HydrophobicContact CD2-CB 3.97Å; L105-P115 HydrophobicContact CD2-CG 4.15Å; L105-P115 HydrophobicContact CG-CB 4.08Å; L105-P115 HydrophobicContact CG-CG 4.07Å; P115-G117 PolarHBondContact O-N 3.35Å; P115-P118 WeakPolarHBondContact O-CD 3.35Å; P115-L119 WeakPolarHBondContact O-CG 3.46Å; P115-L119 PolarHBondContact O-N 3.37Å
116I98.5Very high96.8Very high0 Ų018.8 Ų18.80%010%0.095CC..Hα-helixtrans-58.8-31.1173.9-62.7-56000111.9L105 I109 V111 S114 L119 C120 I143 A146 Y168 C171L105-I116 HydrophobicContact CD2-CD1 3.76Å; L105-I116 HydrophobicContact CD2-CG1 3.64Å; I109-I116 VanDerWaalsContact O-CG1 3.25Å; I109-I116 WeakPolarHBondContact O-CG1 3.43Å; V111-I116 HydrophobicContact CB-CG2 4.03Å; V111-I116 HydrophobicContact CG2-CG2 4.22Å; S114-I116 PolarHBondContact O-N 3.4Å; S114-I116 WeakPolarHBondContact OG-CB 3.42Å; S114-I116 WeakPolarHBondContact OG-CG1 3.47Å; S114-I116 PolarHBondContact OG-N 3.28Å; S114-I116 VanDerWaalsContact OG-N 3.08Å; I116-L119 HydrophobicContact CD1-CD1 4.23Å; I116-L119 PolarHBondContact O-N 2.95Å; I116-C120 VanDerWaalsContact O-CB 3.22Å; I116-C120 WeakPolarHBondContact O-CB 3.39Å; I116-C120 PolarHBondContact O-N 3.06Å; I116-I143 HydrophobicContact CD1-CB 4.42Å; I116-I143 HydrophobicContact CD1-CG1 4.21Å; I116-I143 HydrophobicContact CD1-CG2 4.42Å; I116-A146 HydrophobicContact CD1-CB 3.83Å; I116-Y168 HydrophobicContact CD1-CD2 4.45Å; I116-Y168 HydrophobicContact CD1-CE2 4.27Å; I116-Y168 HydrophobicContact CG1-CD2 4.29Å; I116-C171 HydrophobicContact CG2-CB 3.77Å
117G98.6Very high96.4Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-58.2-60.9178.800000113.3M55 V111 S114 P115 L119 C120 L121M55-G117 WeakPolarHBondContact CE-O 3.43Å; V111-G117 WeakPolarHBondContact O-CA 3.4Å; V111-G117 PolarHBondContact O-N 3.3Å; S114-G117 PolarHBondContact O-N 2.95Å; S114-G117 VanDerWaalsContact O-N 3.08Å; P115-G117 PolarHBondContact O-N 3.35Å; G117-L119 VanDerWaalsContact C-N 3.31Å; G117-L119 PolarHBondContact O-N 2.89Å; G117-C120 WeakPolarHBondContact O-CB 3.26Å; G117-C120 PolarHBondContact O-N 2.98Å; G117-L121 PolarHBondContact O-N 3.43Å
118P98.3Very high95.5Very high0 Ų014.2 Ų14.20%08%0.076CC..Hα-helixtrans-54.5-39.6172.6-31.436.6000115.2V53 C96 I100 P115 L121 G122V53-P118 HydrophobicContact CB-CG 3.85Å; V53-P118 HydrophobicContact CG2-CG 3.99Å; V53-P118 WeakPolarHBondContact O-CD 3.49Å; V53-P118 WeakPolarHBondContact O-CG 3.39Å; C96-P118 HydrophobicContact CB-CB 3.81Å; C96-P118 HydrophobicContact CB-CG 3.99Å; I100-P118 HydrophobicContact CD1-CB 3.95Å; I100-P118 HydrophobicContact CD1-CG 4.43Å; P115-P118 WeakPolarHBondContact O-CD 3.35Å; P118-L121 PolarHBondContact O-N 2.83Å; P118-G122 PolarHBondContact O-N 3.12Å
119L98.5Very high94Very high9 Ų922.4 Ų22.45%0.04711%0.113CC..Hα-helixtrans-66-42.4178.3-62.8170.2000110.9I100 L102 P115 I116 G117 L121 G122 A123 F139 E142 I143I100-L119 HydrophobicContact CD1-CD2 4.05Å; I100-L119 HydrophobicContact CD1-CG 4.01Å; L102-L119 HydrophobicContact CD2-CD1 4.06Å; P115-L119 WeakPolarHBondContact O-CG 3.46Å; P115-L119 PolarHBondContact O-N 3.37Å; I116-L119 HydrophobicContact CD1-CD1 4.23Å; I116-L119 PolarHBondContact O-N 2.95Å; G117-L119 VanDerWaalsContact C-N 3.31Å; G117-L119 PolarHBondContact O-N 2.89Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 2.86Å; L119-G122 PolarHBondContact O-N 2.99Å; L119-A123 PolarHBondContact O-N 3.41Å; L119-F139 HydrophobicContact CB-CD1 4.5Å; L119-F139 HydrophobicContact CD2-CD1 3.72Å; L119-F139 HydrophobicContact CD2-CE1 4.3Å; L119-F139 WeakPolarHBondContact O-CB 3.37Å; L119-E142 HydrophobicContact CD1-CB 4.06Å; L119-E142 HydrophobicContact CD1-CG 3.55Å; L119-E142 HydrophobicContact CD2-CB 4.27Å; L119-E142 HydrophobicContact CD2-CG 4.05Å; L119-E142 HydrophobicContact CG-CG 4.47Å; L119-I143 HydrophobicContact CB-CD1 3.85Å; L119-I143 HydrophobicContact CB-CG1 3.62Å; L119-I143 HydrophobicContact CD1-CG1 4.17Å
120C98.6Very high92.4Very high0 Ų025.4 Ų25.40%014%0.144CC..Hα-helixtrans-60.2-45.7175.6-176.50000110.8M55 V111 I116 G117 G122 A123 L124 I143 C171M55-C120 HydrophobicContact CE-CB 4.09Å; V111-C120 HydrophobicContact CG2-CB 3.89Å; I116-C120 VanDerWaalsContact O-CB 3.22Å; I116-C120 WeakPolarHBondContact O-CB 3.39Å; I116-C120 PolarHBondContact O-N 3.06Å; G117-C120 WeakPolarHBondContact O-CB 3.26Å; G117-C120 PolarHBondContact O-N 2.98Å; C120-G122 VanDerWaalsContact C-N 3.33Å; C120-G122 PolarHBondContact O-N 3.1Å; C120-A123 PolarHBondContact O-N 3.42Å; C120-L124 VanDerWaalsContact O-CG 3.28Å; C120-L124 WeakPolarHBondContact O-CG 3.44Å; C120-L124 PolarHBondContact O-N 2.68Å; C120-I143 HydrophobicContact CB-CD1 4.5Å; C120-C171 VanDerWaalsContact SG-SG 3.7Å
121L98.3Very high90.8Very high0 Ų029 Ų290%017%0.17CC..Hα-helixtrans-57.9-46.1173.3177.462.9000111.6L64 N67 T89 L93 G117 P118 L119 L124 S125L64-L121 HydrophobicContact CB-CD1 4.47Å; N67-L121 HydrophobicContact CB-CD1 4.24Å; T89-L121 HydrophobicContact CG2-CD1 4.04Å; L93-L121 HydrophobicContact CB-CD2 4.25Å; L93-L121 HydrophobicContact CD1-CD2 4.36Å; L93-L121 HydrophobicContact CD1-CG 4.35Å; G117-L121 PolarHBondContact O-N 3.43Å; P118-L121 PolarHBondContact O-N 2.83Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 2.86Å; L121-L124 PolarHBondContact O-N 3.25Å; L121-S125 WeakPolarHBondContact O-CB 3.46Å; L121-S125 PolarHBondContact O-N 2.87Å; L121-S125 PolarHBondContact O-OG 2.95Å
122G97.7Very high89.5Confident0 Ų032.3 Ų32.30%019%0.185CC..Hα-helixtrans-55-53.8176.900000111.8P118 L119 C120 L124 S125 S126P118-G122 PolarHBondContact O-N 3.12Å; L119-G122 PolarHBondContact O-N 2.99Å; C120-G122 VanDerWaalsContact C-N 3.33Å; C120-G122 PolarHBondContact O-N 3.1Å; G122-L124 PolarHBondContact O-N 3.44Å; G122-S125 PolarHBondContact O-N 2.89Å; G122-S125 PolarHBondContact O-OG 3.24Å; G122-S126 WeakPolarHBondContact O-CB 3.49Å; G122-S126 PolarHBondContact O-N 3.12Å; G122-S126 PolarHBondContact O-OG 3.29Å
123A97.3Very high88.7Confident0 Ų034.2 Ų34.20%020%0.195CC..Hα-helixtrans-54.3-52.4176.900000111.9L119 C120 S125 S126 F139 V140 L175 F180L119-A123 PolarHBondContact O-N 3.41Å; C120-A123 PolarHBondContact O-N 3.42Å; A123-S125 PolarHBondContact O-N 3.07Å; A123-S126 PolarHBondContact O-N 2.95Å; A123-F139 HydrophobicContact CB-CB 3.89Å; A123-V140 HydrophobicContact CB-CG2 3.97Å; A123-L175 HydrophobicContact CB-CD2 3.7Å; A123-F180 HydrophobicContact CB-CE1 4.39Å; A123-F180 HydrophobicContact CB-CZ 4.12Å; A123-F180 WeakPolarHBondContact O-CZ 3.34Å
124L96Very high88.3Confident7 Ų737.6 Ų37.64%0.03722%0.216CC..Hα-helixtrans-63.1-39.2-177.4-67.7172.9000113.1L64 C120 L121 G122 T174 L175 N178 F180L64-L124 HydrophobicContact CD1-CD1 3.82Å; C120-L124 VanDerWaalsContact O-CG 3.28Å; C120-L124 WeakPolarHBondContact O-CG 3.44Å; C120-L124 PolarHBondContact O-N 2.68Å; L121-L124 PolarHBondContact O-N 3.25Å; G122-L124 PolarHBondContact O-N 3.44Å; L124-T174 HydrophobicContact CD1-CG2 3.94Å; L124-T174 HydrophobicContact CD2-CG2 4.3Å; L124-L175 HydrophobicContact CD2-CD2 4.32Å; L124-N178 HydrophobicContact CD2-CB 3.84Å; L124-F180 HydrophobicContact CD2-CE2 4.44Å
125S95.1Very high87.9Confident31 Ų3142 Ų4222%0.21724%0.236CC..Hα-helixtrans-78.9-24.2-17869.90000114N67 L121 G122 A123 V127N67-S125 WeakPolarHBondContact OD1-CA 3.47Å; L121-S125 WeakPolarHBondContact O-CB 3.46Å; L121-S125 PolarHBondContact O-N 2.87Å; L121-S125 PolarHBondContact O-OG 2.95Å; G122-S125 PolarHBondContact O-N 2.89Å; G122-S125 PolarHBondContact O-OG 3.24Å; A123-S125 PolarHBondContact O-N 3.07Å; S125-V127 VanDerWaalsContact C-N 3.3Å; S125-V127 PolarHBondContact O-N 2.63Å
126S91.7Very high87.8Confident6 Ų641.7 Ų41.74%0.04223%0.234CC..THydrogen-bonded Turntrans-81.6-4.7179.4-69.20000113.4G122 A123 K128 N133 E135G122-S126 WeakPolarHBondContact O-CB 3.49Å; G122-S126 PolarHBondContact O-N 3.12Å; G122-S126 PolarHBondContact O-OG 3.29Å; A123-S126 PolarHBondContact O-N 2.95Å; S126-K128 PolarHBondContact O-N 2.99Å; S126-N133 VanDerWaalsContact O-CG 3.24Å; S126-N133 PolarHBondContact O-ND2 2.92Å; S126-N133 PolarHBondContact O-OD1 3.46Å; S126-E135 PolarHBondContact OG-OE2 3.12Å; S126-E135 VanDerWaalsContact OG-OE2 3.12Å
127V83.7Confident87.5Confident42 Ų4246.4 Ų46.426%0.25526%0.255SS..  trans-67.5117.7174.2-179.60000109.9S125 F180S125-V127 VanDerWaalsContact C-N 3.3Å; S125-V127 PolarHBondContact O-N 2.63Å; V127-F180 HydrophobicContact CG2-CE2 3.71Å; V127-F180 HydrophobicContact CG2-CZ 3.46Å; V127-F180 VanDerWaalsContact CG2-CZ 3.46Å
128K70.8Confident87.4Confident133 Ų13352.9 Ų52.958%0.57828%0.283SS*.BIsolated β-bridgetrans-113.8131.2176-66.9-174.3-179.8-179.20109.5S126 G130 S131S126-K128 PolarHBondContact O-N 2.99Å; K128-G130 PolarHBondContact O-N 2.85Å; K128-G130 VanDerWaalsContact O-N 3.14Å; K128-S131 PolarHBondContact N-O 3.34Å; K128-S131 PolarHBondContact O-N 3.5Å
129H64.9Low87.3Confident193 Ų19353.8 Ų53.889%0.89429%0.287SS*.THydrogen-bonded Turntrans52.533.6-179.6-54.3-72.7000114.1S131H129-S131 PolarHBondContact O-N 3.35Å
130G63.6Low87.3Confident63 Ų6353.8 Ų53.865%0.64929%0.287SS*.THydrogen-bonded Turntrans71.77-178.600000115.1K128K128-G130 PolarHBondContact O-N 2.85Å; K128-G130 VanDerWaalsContact O-N 3.14Å
131S64.8Low87.2Confident77 Ų7759.8 Ų59.854%0.53832%0.315SS..BIsolated β-bridgetrans-111.2135179.2-52.20000110.5K128 H129 N133K128-S131 PolarHBondContact N-O 3.34Å; K128-S131 PolarHBondContact O-N 3.5Å; H129-S131 PolarHBondContact O-N 3.35Å; S131-N133 PolarHBondContact O-N 3.23Å
132E70.5Confident87.2Confident69 Ų6963 Ų6332%0.32233%0.33SS..  trans-64.5128.4170.5-173.2-174-154.500110.1A136 K137 F180E132-A136 HydrophobicContact CG-CB 3.68Å; E132-K137 HydrophobicContact CG-CG 3.78Å; E132-K137 VanDerWaalsContact OE1-CA 3.28Å; E132-K137 WeakPolarHBondContact OE1-CA 3.37Å; E132-K137 WeakPolarHBondContact OE1-CG 3.33Å; E132-K137 PolarHBondContact OE1-N 2.97Å; E132-K137 WeakPolarHBondContact OE2-CE 3.29Å; E132-K137 WeakPolarHBondContact OE2-CG 3.3Å; E132-F180 HydrophobicContact CB-CE1 4.35Å; E132-F180 HydrophobicContact CG-CD1 4.15Å; E132-F180 HydrophobicContact CG-CE1 3.73Å; E132-F180 WeakPolarHBondContact OE1-CD1 3.22Å
133N83Confident87.2Confident41 Ų4163 Ų6322%0.21933%0.33CS..  trans-101174.9174.574.514.5000111.6S126 S131 E135 A136 K137S126-N133 VanDerWaalsContact O-CG 3.24Å; S126-N133 PolarHBondContact O-ND2 2.92Å; S126-N133 PolarHBondContact O-OD1 3.46Å; S131-N133 PolarHBondContact O-N 3.23Å; N133-E135 PolarHBondContact O-N 3.35Å; N133-E135 VanDerWaalsContact O-N 3.16Å; N133-E135 WeakPolarHBondContact OD1-CA 3.32Å; N133-E135 WeakPolarHBondContact OD1-CB 3.3Å; N133-E135 PolarHBondContact OD1-N 3.45Å; N133-A136 PolarHBondContact O-N 2.92Å; N133-A136 PolarHBondContact OD1-N 3.44Å; N133-K137 PolarHBondContact O-N 2.98Å; N133-K137 VanDerWaalsContact O-N 3.12Å
134T87.9Confident87.3Confident108 Ų10864.7 Ų64.766%0.66334%0.339SS*.Hα-helixtrans-58.1-28.2179.9-49.30000113.8K138T134-K138 WeakPolarHBondContact O-CG 3.47Å
135E91.3Very high87.3Confident97 Ų9766.6 Ų66.645%0.45335%0.352SS..Hα-helixtrans-76.8-45.4178.9-173.4179.9-150.900111.4S126 N133 K137 K138 F139S126-E135 PolarHBondContact OG-OE2 3.12Å; S126-E135 VanDerWaalsContact OG-OE2 3.12Å; N133-E135 PolarHBondContact O-N 3.35Å; N133-E135 VanDerWaalsContact O-N 3.16Å; N133-E135 WeakPolarHBondContact OD1-CA 3.32Å; N133-E135 WeakPolarHBondContact OD1-CB 3.3Å; N133-E135 PolarHBondContact OD1-N 3.45Å; E135-K137 VanDerWaalsContact C-N 3.27Å; E135-K137 PolarHBondContact O-N 2.78Å; E135-K138 PolarHBondContact O-N 2.9Å; E135-K138 VanDerWaalsContact O-N 3.15Å; E135-F139 HydrophobicContact CG-CD2 4.44Å; E135-F139 HydrophobicContact CG-CE2 3.84Å; E135-F139 WeakPolarHBondContact O-CD2 3.49Å; E135-F139 PolarHBondContact O-N 2.75Å
136A94Very high87.5Confident0 Ų065.1 Ų65.10%034%0.342CS..Hα-helixtrans-57-4217500000111.4E132 N133 K138 F139 V140 F180E132-A136 HydrophobicContact CG-CB 3.68Å; N133-A136 PolarHBondContact O-N 2.92Å; N133-A136 PolarHBondContact OD1-N 3.44Å; A136-K138 VanDerWaalsContact C-N 3.33Å; A136-K138 PolarHBondContact O-N 2.92Å; A136-F139 PolarHBondContact O-N 3.17Å; A136-V140 WeakPolarHBondContact O-CG2 3.29Å; A136-V140 PolarHBondContact O-N 3.16Å; A136-V140 VanDerWaalsContact O-N 3.07Å; A136-F180 HydrophobicContact CB-CE1 4.01Å; A136-F180 HydrophobicContact CB-CZ 4.26Å
137K93.4Very high87.7Confident99 Ų9965.9 Ų65.943%0.4335%0.347SS..Hα-helixtrans-55.6-43.7175.6-75.4-177.9178.9-171.30113.3E132 N133 E135 F139 V140 E141E132-K137 HydrophobicContact CG-CG 3.78Å; E132-K137 VanDerWaalsContact OE1-CA 3.28Å; E132-K137 WeakPolarHBondContact OE1-CA 3.37Å; E132-K137 WeakPolarHBondContact OE1-CG 3.33Å; E132-K137 PolarHBondContact OE1-N 2.97Å; E132-K137 WeakPolarHBondContact OE2-CE 3.29Å; E132-K137 WeakPolarHBondContact OE2-CG 3.3Å; N133-K137 PolarHBondContact O-N 2.98Å; N133-K137 VanDerWaalsContact O-N 3.12Å; E135-K137 VanDerWaalsContact C-N 3.27Å; E135-K137 PolarHBondContact O-N 2.78Å; K137-F139 VanDerWaalsContact C-N 3.32Å; K137-F139 PolarHBondContact O-N 3.2Å; K137-V140 PolarHBondContact O-N 3.49Å; K137-E141 WeakPolarHBondContact O-CB 3.45Å; K137-E141 VanDerWaalsContact O-CG 3.3Å; K137-E141 WeakPolarHBondContact O-CG 3.11Å; K137-E141 PolarHBondContact O-N 2.97Å
138K95.4Very high88.4Confident136 Ų13669.5 Ų69.559%0.59136%0.36SS*.Hα-helixtrans-62.9-39.9179.9-69.7174.7-179.3-178.40112T134 E135 A136 E142T134-K138 WeakPolarHBondContact O-CG 3.47Å; E135-K138 PolarHBondContact O-N 2.9Å; E135-K138 VanDerWaalsContact O-N 3.15Å; A136-K138 VanDerWaalsContact C-N 3.33Å; A136-K138 PolarHBondContact O-N 2.92Å; K138-E142 PolarHBondContact O-N 3.4Å; K138-E142 VanDerWaalsContact O-N 3.12Å
139F97.4Very high89.6Confident19 Ų1966.8 Ų66.88%0.08335%0.347CS..Hα-helixtrans-65.2-43.3175.6-68.8-58.3000111.6L93 L97 L119 A123 E135 A136 K137 E142 I143L93-F139 HydrophobicContact CD2-CZ 4.5Å; L97-F139 HydrophobicContact CD1-CE1 4.26Å; L97-F139 HydrophobicContact CD1-CZ 4.03Å; L97-F139 HydrophobicContact CD2-CE1 3.86Å; L97-F139 HydrophobicContact CD2-CZ 4.42Å; L119-F139 HydrophobicContact CB-CD1 4.5Å; L119-F139 HydrophobicContact CD2-CD1 3.72Å; L119-F139 HydrophobicContact CD2-CE1 4.3Å; L119-F139 WeakPolarHBondContact O-CB 3.37Å; A123-F139 HydrophobicContact CB-CB 3.89Å; E135-F139 HydrophobicContact CG-CD2 4.44Å; E135-F139 HydrophobicContact CG-CE2 3.84Å; E135-F139 WeakPolarHBondContact O-CD2 3.49Å; E135-F139 PolarHBondContact O-N 2.75Å; A136-F139 PolarHBondContact O-N 3.17Å; K137-F139 VanDerWaalsContact C-N 3.32Å; K137-F139 PolarHBondContact O-N 3.2Å; F139-E142 PolarHBondContact O-N 3.11Å; F139-I143 WeakPolarHBondContact O-CD1 3.22Å; F139-I143 VanDerWaalsContact O-CG1 3.22Å; F139-I143 WeakPolarHBondContact O-CG1 3.32Å; F139-I143 PolarHBondContact O-N 2.74Å
140V97.5Very high91.1Very high8 Ų857.6 Ų57.65%0.04830%0.304CS..Hα-helixtrans-64.8-43.5177.9176.90000111.3A123 A136 K137 E142 I143 L144 L175 F180 I182A123-V140 HydrophobicContact CB-CG2 3.97Å; A136-V140 WeakPolarHBondContact O-CG2 3.29Å; A136-V140 PolarHBondContact O-N 3.16Å; A136-V140 VanDerWaalsContact O-N 3.07Å; K137-V140 PolarHBondContact O-N 3.49Å; V140-E142 VanDerWaalsContact C-N 3.35Å; V140-E142 PolarHBondContact O-N 3.01Å; V140-I143 WeakPolarHBondContact O-CB 3.3Å; V140-I143 PolarHBondContact O-N 3.23Å; V140-L144 HydrophobicContact CG1-CD1 3.86Å; V140-L144 HydrophobicContact CG1-CG 4.12Å; V140-L144 WeakPolarHBondContact O-CB 3.23Å; V140-L144 VanDerWaalsContact O-CG 3.27Å; V140-L144 WeakPolarHBondContact O-CG 3.43Å; V140-L144 PolarHBondContact O-N 3.36Å; V140-L175 HydrophobicContact CG2-CD1 4.39Å; V140-F180 HydrophobicContact CG2-CD1 3.52Å; V140-F180 HydrophobicContact CG2-CE1 3.65Å; V140-F180 HydrophobicContact CG2-CG 4.35Å; V140-I182 HydrophobicContact CG1-CD1 4.07Å
141E97.5Very high92.6Very high127 Ų12758.7 Ų58.759%0.59329%0.294SS*.Hα-helixtrans-57.2-46175.4-75.6170.6178.300111.8K137 I143 L144 S145K137-E141 WeakPolarHBondContact O-CB 3.45Å; K137-E141 VanDerWaalsContact O-CG 3.3Å; K137-E141 WeakPolarHBondContact O-CG 3.11Å; K137-E141 PolarHBondContact O-N 2.97Å; E141-I143 PolarHBondContact O-N 2.8Å; E141-L144 PolarHBondContact O-N 3.45Å; E141-S145 WeakPolarHBondContact O-CB 3.21Å; E141-S145 PolarHBondContact O-N 3.22Å
142E97.5Very high94Very high68 Ų6859 Ų5932%0.31829%0.289SS..Hα-helixtrans-63-43.3176.7-169.567.3-14900111.3L102 L119 K138 F139 V140 S145 A146L102-E142 HydrophobicContact CD2-CG 4.15Å; L119-E142 HydrophobicContact CD1-CB 4.06Å; L119-E142 HydrophobicContact CD1-CG 3.55Å; L119-E142 HydrophobicContact CD2-CB 4.27Å; L119-E142 HydrophobicContact CD2-CG 4.05Å; L119-E142 HydrophobicContact CG-CG 4.47Å; K138-E142 PolarHBondContact O-N 3.4Å; K138-E142 VanDerWaalsContact O-N 3.12Å; F139-E142 PolarHBondContact O-N 3.11Å; V140-E142 VanDerWaalsContact C-N 3.35Å; V140-E142 PolarHBondContact O-N 3.01Å; E142-S145 WeakPolarHBondContact O-CB 3.22Å; E142-S145 PolarHBondContact O-N 3.21Å; E142-S145 PolarHBondContact O-OG 2.57Å; E142-A146 PolarHBondContact O-N 3.24Å
143I98.5Very high95.2Very high0 Ų057.2 Ų57.20%028%0.283CS..Hα-helixtrans-60-48.5175.3-69.1162.5000110.6I116 L119 C120 F139 V140 E141 S145 A146 Y168 L172 L175I116-I143 HydrophobicContact CD1-CB 4.42Å; I116-I143 HydrophobicContact CD1-CG1 4.21Å; I116-I143 HydrophobicContact CD1-CG2 4.42Å; L119-I143 HydrophobicContact CB-CD1 3.85Å; L119-I143 HydrophobicContact CB-CG1 3.62Å; L119-I143 HydrophobicContact CD1-CG1 4.17Å; C120-I143 HydrophobicContact CB-CD1 4.5Å; F139-I143 WeakPolarHBondContact O-CD1 3.22Å; F139-I143 VanDerWaalsContact O-CG1 3.22Å; F139-I143 WeakPolarHBondContact O-CG1 3.32Å; F139-I143 PolarHBondContact O-N 2.74Å; V140-I143 WeakPolarHBondContact O-CB 3.3Å; V140-I143 PolarHBondContact O-N 3.23Å; E141-I143 PolarHBondContact O-N 2.8Å; I143-S145 VanDerWaalsContact C-N 3.27Å; I143-S145 PolarHBondContact O-N 3.1Å; I143-A146 WeakPolarHBondContact O-CB 3.23Å; I143-A146 PolarHBondContact O-N 2.8Å; I143-Y168 HydrophobicContact CG2-CE2 3.94Å; I143-Y168 VanDerWaalsContact O-CE2 3.23Å; I143-Y168 WeakPolarHBondContact O-CE2 3.42Å; I143-Y168 PolarHBondContact O-OH 3.13Å; I143-L172 HydrophobicContact CG2-CD2 3.95Å; I143-L175 HydrophobicContact CD1-CD1 4Å; I143-L175 HydrophobicContact CG2-CD1 4.39Å
144L98.4Very high95.7Very high34 Ų3460.7 Ų60.718%0.17830%0.302CS..Hα-helixtrans-63.5-35-179.7-69176.5000111.6V140 E141 A146 S147 Y168 L172 I182 P183 V186V140-L144 HydrophobicContact CG1-CD1 3.86Å; V140-L144 HydrophobicContact CG1-CG 4.12Å; V140-L144 WeakPolarHBondContact O-CB 3.23Å; V140-L144 VanDerWaalsContact O-CG 3.27Å; V140-L144 WeakPolarHBondContact O-CG 3.43Å; V140-L144 PolarHBondContact O-N 3.36Å; E141-L144 PolarHBondContact O-N 3.45Å; L144-A146 PolarHBondContact O-N 3.08Å; L144-S147 VanDerWaalsContact O-CB 3.32Å; L144-S147 WeakPolarHBondContact O-CB 3.36Å; L144-S147 PolarHBondContact O-N 2.91Å; L144-S147 PolarHBondContact O-OG 3.31Å; L144-Y168 WeakPolarHBondContact CA-OH 3.25Å; L144-Y168 PolarHBondContact O-OH 2.94Å; L144-L172 HydrophobicContact CD2-CD2 4.1Å; L144-I182 HydrophobicContact CD2-CD1 4.5Å; L144-I182 HydrophobicContact CD2-CG2 4.31Å; L144-P183 HydrophobicContact CD1-CG 4.31Å; L144-V186 HydrophobicContact CD2-CG1 4.15Å; L144-V186 HydrophobicContact CD2-CG2 4.43Å
145S97.4Very high95.9Very high47 Ų4758.3 Ų58.333%0.32929%0.29SS..Hα-helixtrans-62.6-26.8177.2880000113.5E141 E142 I143 S147 K148E141-S145 WeakPolarHBondContact O-CB 3.21Å; E141-S145 PolarHBondContact O-N 3.22Å; E142-S145 WeakPolarHBondContact O-CB 3.22Å; E142-S145 PolarHBondContact O-N 3.21Å; E142-S145 PolarHBondContact O-OG 2.57Å; I143-S145 VanDerWaalsContact C-N 3.27Å; I143-S145 PolarHBondContact O-N 3.1Å; S145-S147 PolarHBondContact O-N 3.22Å; S145-K148 WeakPolarHBondContact O-CD 3.47Å; S145-K148 VanDerWaalsContact O-CG 3.3Å; S145-K148 WeakPolarHBondContact O-CG 3.13Å
146A97.4Very high95.9Very high0 Ų056.9 Ų56.90%030%0.301CS..THydrogen-bonded Turntrans-72.9-14.9179.700000113.4L105 I109 I116 E142 I143 L144 K148 Y149 Y168L105-A146 HydrophobicContact CD1-CB 4.3Å; L105-A146 HydrophobicContact CD2-CB 4.44Å; I109-A146 HydrophobicContact CG2-CB 4.27Å; I116-A146 HydrophobicContact CD1-CB 3.83Å; E142-A146 PolarHBondContact O-N 3.24Å; I143-A146 WeakPolarHBondContact O-CB 3.23Å; I143-A146 PolarHBondContact O-N 2.8Å; L144-A146 PolarHBondContact O-N 3.08Å; A146-K148 PolarHBondContact O-N 2.99Å; A146-K148 VanDerWaalsContact O-N 3.12Å; A146-Y149 HydrophobicContact CB-CD2 4.34Å; A146-Y149 WeakPolarHBondContact O-CD2 3.36Å; A146-Y149 PolarHBondContact O-N 2.9Å; A146-Y168 HydrophobicContact CB-CE2 4.19Å
147S97.6Very high95.9Very high22 Ų2257.6 Ų57.615%0.15431%0.305CS..Hα-helixtrans-53.7-33.4176.459.70000112.7L144 S145 Y149 G150 I151 Y168L144-S147 VanDerWaalsContact O-CB 3.32Å; L144-S147 WeakPolarHBondContact O-CB 3.36Å; L144-S147 PolarHBondContact O-N 2.91Å; L144-S147 PolarHBondContact O-OG 3.31Å; S145-S147 PolarHBondContact O-N 3.22Å; S147-Y149 PolarHBondContact O-N 3.06Å; S147-G150 PolarHBondContact O-N 3.23Å; S147-I151 WeakPolarHBondContact O-CG2 3.27Å; S147-I151 PolarHBondContact O-N 2.96Å; S147-Y168 PolarHBondContact N-OH 3.21Å
148K96.6Very high96Very high119 Ų11954.4 Ų54.452%0.51729%0.294SS..Hα-helixtrans-55.9-25.617774.6-169.1177.3-176.30114.3S145 A146S145-K148 WeakPolarHBondContact O-CD 3.47Å; S145-K148 VanDerWaalsContact O-CG 3.3Å; S145-K148 WeakPolarHBondContact O-CG 3.13Å; A146-K148 PolarHBondContact O-N 2.99Å; A146-K148 VanDerWaalsContact O-N 3.12Å
149Y96.5Very high96.2Very high76 Ų7648.6 Ų48.630%0.29827%0.269SS..Hα-helixtrans-85.1-22.6176.7-54.8-62.8000112.5L105 I109 A146 S147 M157L105-Y149 HydrophobicContact CB-CD2 3.97Å; L105-Y149 HydrophobicContact CB-CE2 3.79Å; L105-Y149 WeakPolarHBondContact O-CD2 3.42Å; I109-Y149 HydrophobicContact CG2-CD2 4.3Å; A146-Y149 HydrophobicContact CB-CD2 4.34Å; A146-Y149 WeakPolarHBondContact O-CD2 3.36Å; A146-Y149 PolarHBondContact O-N 2.9Å; S147-Y149 PolarHBondContact O-N 3.06Å; Y149-M157 WeakPolarHBondContact O-CE 3.32Å
150G96.1Very high96.2Very high0 Ų047.8 Ų47.80%027%0.266CS..Hα-helixtrans-93-14.1-177.400000115S147 R165 A193S147-G150 PolarHBondContact O-N 3.23Å; G150-R165 VanDerWaalsContact O-CD 3.27Å; G150-R165 WeakPolarHBondContact O-CD 3.41Å; G150-R165 PolarHBondContact O-NE 3.25Å; G150-A193 WeakPolarHBondContact O-CB 3.15Å
151I96.9Very high96.2Very high85 Ų8547.5 Ų47.544%0.43626%0.264SS..SBendtrans-80.1-23.3-177.959172.4000113.8S147 V153 I190S147-I151 WeakPolarHBondContact O-CG2 3.27Å; S147-I151 PolarHBondContact O-N 2.96Å; I151-V153 PolarHBondContact O-N 2.73Å; I151-I190 HydrophobicContact CG2-CD1 3.96Å
152D94.3Very high96.3Very high83 Ų8341.7 Ų41.744%0.44424%0.237SC..  trans-78.3108.2178.4-1806.4000109.9D154 S155 R165D152-D154 PolarHBondContact O-N 3.06Å; D152-D154 PolarHBondContact OD1-N 2.72Å; D152-S155 PolarHBondContact O-N 3.07Å; D152-S155 PolarHBondContact O-OG 3.24Å; D152-S155 PolarHBondContact OD1-N 2.89Å; D152-R165 PolarHBondContact O-NH2 3.5Å
153V94.7Very high96.3Very high32 Ų3242.8 Ų42.819%0.19424%0.239CC..THydrogen-bonded Turntrans-65.3-27.2179.7178.90000111.7I151 A193 K196I151-V153 PolarHBondContact O-N 2.73Å; V153-A193 HydrophobicContact CG2-CB 4.02Å; V153-K196 HydrophobicContact CG1-CB 4.43Å; V153-K196 HydrophobicContact CG2-CB 4.02Å; V153-K196 HydrophobicContact CG2-CD 4.36Å
154D93.5Very high96.2Very high115 Ų11542.8 Ų42.862%0.61524%0.239SC*.THydrogen-bonded Turntrans-97.4-0.9-174.4-64.3-44.4000113.4D152 G156 K200D152-D154 PolarHBondContact O-N 3.06Å; D152-D154 PolarHBondContact OD1-N 2.72Å; D154-G156 PolarHBondContact O-N 3.29Å; D154-G156 VanDerWaalsContact O-N 3.08Å; D154-K200 IonicContact OD1-NZ 3.12Å; D154-K200 PolarHBondContact OD1-NZ 3.08Å
155S92.3Very high96.2Very high58 Ų5841.2 Ų41.241%0.40623%0.231SC..SBendtrans-63.4-12.8179.661.20000115.3D152 M157D152-S155 PolarHBondContact O-N 3.07Å; D152-S155 PolarHBondContact O-OG 3.24Å; D152-S155 PolarHBondContact OD1-N 2.89Å; S155-M157 PolarHBondContact O-N 3.2Å; S155-M157 WeakPolarHBondContact OG-CB 3.11Å; S155-M157 PolarHBondContact OG-N 3.07Å
156G90.8Very high96.2Very high67 Ų6739 Ų3969%0.69122%0.215SC*.  trans76.24.4-171.200000114.1D154D154-G156 PolarHBondContact O-N 3.29Å; D154-G156 VanDerWaalsContact O-N 3.08Å
157M94.8Very high96.3Very high14 Ų1439 Ų397%0.06922%0.215CC..  trans-62.2128.8172-176.9173.6-68.500110.3I109 Y149 S155 R165I109-M157 HydrophobicContact CD1-CE 4.21Å; I109-M157 HydrophobicContact CD1-SD 3.51Å; I109-M157 VanDerWaalsContact CD1-SD 3.51Å; I109-M157 HydrophobicContact CG1-CE 3.99Å; I109-M157 HydrophobicContact CG1-SD 3.51Å; I109-M157 VanDerWaalsContact CG1-SD 3.51Å; I109-M157 HydrophobicContact CG2-CE 3.93Å; Y149-M157 WeakPolarHBondContact O-CE 3.32Å; S155-M157 PolarHBondContact O-N 3.2Å; S155-M157 WeakPolarHBondContact OG-CB 3.11Å; S155-M157 PolarHBondContact OG-N 3.07Å; M157-R165 HydrophobicContact CG-CG 4.42Å; M157-R165 PolarHBondContact O-NH1 2.93Å; M157-R165 PolarHBondContact O-NH2 3.05Å; M157-R165 HydrophobicContact SD-CG 4.09Å
158P95.8Very high96.4Very high33 Ų3338 Ų3821%0.21421%0.208CC..  trans-63.3159.7176.7-22.633.8000112.7E160 G164 R165P158-E160 HydrophobicContact CB-CG 4.09Å; P158-G164 CarbonylContact O-C 3.15Å; P158-G164 WeakPolarHBondContact O-CA 3.45Å; P158-R165 PolarHBondContact O-N 2.94Å
159D98.1Very high96.5Very high13 Ų1332.3 Ų32.37%0.0718%0.183CC..  trans-90.8-18.7170.5-67.8-50.2000112.9R165 T166 I194 S197 F230 I247D159-R165 WeakPolarHBondContact OD1-CD 3.48Å; D159-R165 IonicContact OD1-CZ 3.52Å; D159-R165 IonicContact OD1-NE 3.3Å; D159-R165 IonicContact OD1-NH1 2.73Å; D159-R165 PolarHBondContact OD1-NH1 3.21Å; D159-R165 IonicContact OD2-NH1 3.8Å; D159-T166 WeakPolarHBondContact O-CB 3.31Å; D159-T166 PolarHBondContact O-N 3.26Å; D159-T166 PolarHBondContact O-OG1 3.2Å; D159-I194 HydrophobicContact CB-CG2 4.48Å; D159-S197 WeakPolarHBondContact OD2-CB 3.32Å; D159-S197 PolarHBondContact OD2-OG 2.99Å; D159-F230 HydrophobicContact CB-CD1 3.96Å; D159-F230 HydrophobicContact CB-CE1 4.28Å; D159-I247 HydrophobicContact CB-CD1 4.18Å
160E98.1Very high96.6Very high3 Ų328.8 Ų28.81%0.01417%0.17CC..SBendtrans-71.3171.7-171.159.767.4-110.200114.8P158 L162 Y163 G164 W232 A241 H242 I247P158-E160 HydrophobicContact CB-CG 4.09Å; E160-L162 WeakPolarHBondContact OE2-CB 3.5Å; E160-L162 PolarHBondContact OE2-N 2.95Å; E160-Y163 VanDerWaalsContact OE1-CA 3.31Å; E160-Y163 WeakPolarHBondContact OE1-CA 3.11Å; E160-Y163 VanDerWaalsContact OE1-CB 3.26Å; E160-Y163 WeakPolarHBondContact OE1-CB 3.12Å; E160-Y163 PolarHBondContact OE1-N 2.91Å; E160-G164 CarbonylContact O-C 3.18Å; E160-G164 WeakPolarHBondContact O-CA 3.14Å; E160-G164 PolarHBondContact O-N 3.41Å; E160-G164 VanDerWaalsContact O-N 3.07Å; E160-G164 PolarHBondContact OE1-N 2.97Å; E160-W232 HydrophobicContact CG-CB 3.97Å; E160-W232 HydrophobicContact CG-CG 3.82Å; E160-A241 VanDerWaalsContact OE2-O 3.11Å; E160-H242 IonicContact OE2-CE1 2.77Å; E160-H242 IonicContact OE2-CG 3.2Å; E160-H242 IonicContact OE2-ND1 3.03Å; E160-H242 PolarHBondContact OE2-ND1 3.01Å; E160-I247 HydrophobicContact CB-CD1 4.48Å
161A98.5Very high96.7Very high1 Ų128.8 Ų28.81%0.00817%0.17CC..THydrogen-bonded Turntrans-71.8-37.4-16700000112.4S110 Y112 T166 G167 A241 L426S110-A161 WeakPolarHBondContact CB-O 3.23Å; S110-A161 PolarHBondContact OG-O 3.22Å; Y112-A161 WeakPolarHBondContact CD2-O 3.28Å; Y112-A161 HydrophobicContact CE2-CB 4.2Å; A161-T166 HydrophobicContact CB-CG2 4.11Å; A161-G167 WeakPolarHBondContact O-CA 3.4Å; A161-A241 WeakPolarHBondContact CB-O 3.38Å; A161-A241 PolarHBondContact N-O 3.46Å; A161-A241 VanDerWaalsContact N-O 3.09Å; A161-L426 HydrophobicContact CB-CD2 4.46Å
162L98.2Very high96.8Very high6 Ų624.8 Ų24.83%0.03115%0.149CC..THydrogen-bonded Turntrans-78.7-30.9-168.3-62.2-159.7000114.1Y56 S110 Y112 T113 E160 A241 W304Y56-L162 HydrophobicContact CD2-CD1 4.17Å; Y56-L162 HydrophobicContact CD2-CD2 3.7Å; Y56-L162 HydrophobicContact CE2-CD1 3.82Å; Y56-L162 HydrophobicContact CE2-CD2 3.83Å; S110-L162 VanDerWaalsContact CB-C 3.45Å; S110-L162 WeakPolarHBondContact CB-O 3.4Å; S110-L162 VanDerWaalsContact OG-C 3.31Å; S110-L162 PolarHBondContact OG-O 3.24Å; Y112-L162 HydrophobicContact CD1-CD2 4.06Å; Y112-L162 HydrophobicContact CD2-CD2 4.24Å; Y112-L162 HydrophobicContact CG-CD2 3.81Å; T113-L162 WeakPolarHBondContact CB-O 3.29Å; T113-L162 HydrophobicContact CG2-CB 4.46Å; T113-L162 WeakPolarHBondContact CG2-O 3.46Å; T113-L162 PolarHBondContact OG1-O 3.45Å; E160-L162 WeakPolarHBondContact OE2-CB 3.5Å; E160-L162 PolarHBondContact OE2-N 2.95Å; L162-A241 HydrophobicContact CD1-CB 4.07Å; L162-A241 HydrophobicContact CD2-CB 4.45Å; L162-A241 HydrophobicContact CG-CB 4.07Å; L162-W304 HydrophobicContact CD2-CH2 4.15Å; L162-W304 HydrophobicContact CD2-CZ3 4.44Å
163Y97.2Very high97Very high91 Ų9120.9 Ų20.936%0.35713%0.128SC..THydrogen-bonded Turntrans-129.1-5.8-174.6-58.1-82.1000113.8N108 T113 E160 W232 H242N108-Y163 VanDerWaalsContact OD1-C 3.3Å; N108-Y163 WeakPolarHBondContact OD1-CA 3.41Å; N108-Y163 PolarHBondContact OD1-O 3.3Å; T113-Y163 HydrophobicContact CG2-CD1 4.47Å; T113-Y163 HydrophobicContact CG2-CE1 4.02Å; T113-Y163 VanDerWaalsContact OG1-CD1 3.24Å; T113-Y163 WeakPolarHBondContact OG1-CD1 3.29Å; T113-Y163 WeakPolarHBondContact OG1-CE1 3.44Å; E160-Y163 VanDerWaalsContact OE1-CA 3.31Å; E160-Y163 WeakPolarHBondContact OE1-CA 3.11Å; E160-Y163 VanDerWaalsContact OE1-CB 3.26Å; E160-Y163 WeakPolarHBondContact OE1-CB 3.12Å; E160-Y163 PolarHBondContact OE1-N 2.91Å; Y163-W232 AromaticContact CD2-CE2 3.97Å; Y163-W232 AromaticContact CD2-CZ2 3.8Å; Y163-W232 HydrophobicContact CD2-CZ2 3.8Å; Y163-W232 AromaticContact CD2-NE1 3.82Å; Y163-W232 HydrophobicContact CE2-CH2 4.28Å; Y163-W232 AromaticContact CE2-CZ2 3.55Å; Y163-W232 HydrophobicContact CE2-CZ2 3.55Å; Y163-H242 AromaticContact CE2-CE1 3.93Å
164G96.9Very high97.2Very high0 Ų020 Ų200%012%0.123CC..SBendtrans-118.9-166-165.100000117.2P158 E160 T166 G167 Y168P158-G164 CarbonylContact O-C 3.15Å; P158-G164 WeakPolarHBondContact O-CA 3.45Å; E160-G164 CarbonylContact O-C 3.18Å; E160-G164 WeakPolarHBondContact O-CA 3.14Å; E160-G164 PolarHBondContact O-N 3.41Å; E160-G164 VanDerWaalsContact O-N 3.07Å; E160-G164 PolarHBondContact OE1-N 2.97Å; G164-T166 VanDerWaalsContact C-N 3.32Å; G164-T166 PolarHBondContact O-N 3.45Å; G164-G167 PolarHBondContact O-N 3.48Å; G164-G167 VanDerWaalsContact O-N 3.16Å; G164-Y168 PolarHBondContact O-N 3.33Å
165R98.4Very high97.3Very high1 Ų114.5 Ų14.50%0.0049%0.094CC..Hα-helixtrans-59.2-36.8-178.6-62.2-177-17380.68.2113G150 D152 M157 P158 D159 G167 Y168 L169 I190 I194G150-R165 VanDerWaalsContact O-CD 3.27Å; G150-R165 WeakPolarHBondContact O-CD 3.41Å; G150-R165 PolarHBondContact O-NE 3.25Å; D152-R165 PolarHBondContact O-NH2 3.5Å; M157-R165 HydrophobicContact CG-CG 4.42Å; M157-R165 PolarHBondContact O-NH1 2.93Å; M157-R165 PolarHBondContact O-NH2 3.05Å; M157-R165 HydrophobicContact SD-CG 4.09Å; P158-R165 PolarHBondContact O-N 2.94Å; D159-R165 WeakPolarHBondContact OD1-CD 3.48Å; D159-R165 IonicContact OD1-CZ 3.52Å; D159-R165 IonicContact OD1-NE 3.3Å; D159-R165 IonicContact OD1-NH1 2.73Å; D159-R165 PolarHBondContact OD1-NH1 3.21Å; D159-R165 IonicContact OD2-NH1 3.8Å; R165-G167 VanDerWaalsContact C-N 3.33Å; R165-G167 PolarHBondContact O-N 3.28Å; R165-Y168 WeakPolarHBondContact O-CB 3.24Å; R165-Y168 PolarHBondContact O-N 3.16Å; R165-L169 PolarHBondContact O-N 2.98Å; R165-I190 HydrophobicContact CB-CG2 3.97Å; R165-I194 HydrophobicContact CB-CD1 3.72Å; R165-I194 HydrophobicContact CB-CG1 3.55Å; R165-I194 HydrophobicContact CG-CG1 4.32Å
166T98.7Very high97.5Very high0 Ų016 Ų160%09%0.091CC..Hα-helixtrans-63.5-40.2176.6-66.30000111.6D159 A161 G164 Y168 L169 N170 I247 T250D159-T166 WeakPolarHBondContact O-CB 3.31Å; D159-T166 PolarHBondContact O-N 3.26Å; D159-T166 PolarHBondContact O-OG1 3.2Å; A161-T166 HydrophobicContact CB-CG2 4.11Å; G164-T166 VanDerWaalsContact C-N 3.32Å; G164-T166 PolarHBondContact O-N 3.45Å; T166-Y168 VanDerWaalsContact C-N 3.25Å; T166-Y168 PolarHBondContact O-N 2.72Å; T166-L169 PolarHBondContact O-N 3.47Å; T166-N170 PolarHBondContact O-N 3.4Å; T166-N170 PolarHBondContact O-ND2 3.4Å; T166-I247 WeakPolarHBondContact OG1-CG1 3.25Å; T166-T250 HydrophobicContact CG2-CG2 4.08Å; T166-T250 VanDerWaalsContact CG2-OG1 3.3Å; T166-T250 WeakPolarHBondContact CG2-OG1 3.49Å
167G98.8Very high97.7Very high0 Ų015.8 Ų15.80%07%0.071CC..Hα-helixtrans-61.6-34.7174.900000113.1V111 A161 G164 R165 C171V111-G167 WeakPolarHBondContact CB-O 3.22Å; V111-G167 WeakPolarHBondContact CG1-O 3.45Å; V111-G167 PolarHBondContact N-O 2.93Å; A161-G167 WeakPolarHBondContact O-CA 3.4Å; G164-G167 PolarHBondContact O-N 3.48Å; G164-G167 VanDerWaalsContact O-N 3.16Å; R165-G167 VanDerWaalsContact C-N 3.33Å; R165-G167 PolarHBondContact O-N 3.28Å; G167-C171 PolarHBondContact O-N 3.45Å
168Y98.8Very high97.6Very high0 Ų017.9 Ų17.90%08%0.083CC..Hα-helixtrans-68.7-45.9173.9-177.4-111.4000111.9I109 I116 I143 L144 A146 S147 G164 R165 T166 N170 C171 L172 V186 I190I109-Y168 HydrophobicContact CB-CD2 4.26Å; I109-Y168 HydrophobicContact CB-CG 4.5Å; I109-Y168 HydrophobicContact CD1-CD1 4.16Å; I109-Y168 HydrophobicContact CD1-CD2 4.3Å; I109-Y168 HydrophobicContact CD1-CG 3.8Å; I109-Y168 HydrophobicContact CG1-CG 4.27Å; I116-Y168 HydrophobicContact CD1-CD2 4.45Å; I116-Y168 HydrophobicContact CD1-CE2 4.27Å; I116-Y168 HydrophobicContact CG1-CD2 4.29Å; I143-Y168 HydrophobicContact CG2-CE2 3.94Å; I143-Y168 VanDerWaalsContact O-CE2 3.23Å; I143-Y168 WeakPolarHBondContact O-CE2 3.42Å; I143-Y168 PolarHBondContact O-OH 3.13Å; L144-Y168 WeakPolarHBondContact CA-OH 3.25Å; L144-Y168 PolarHBondContact O-OH 2.94Å; A146-Y168 HydrophobicContact CB-CE2 4.19Å; S147-Y168 PolarHBondContact N-OH 3.21Å; G164-Y168 PolarHBondContact O-N 3.33Å; R165-Y168 WeakPolarHBondContact O-CB 3.24Å; R165-Y168 PolarHBondContact O-N 3.16Å; T166-Y168 VanDerWaalsContact C-N 3.25Å; T166-Y168 PolarHBondContact O-N 2.72Å; Y168-N170 VanDerWaalsContact C-N 3.26Å; Y168-N170 PolarHBondContact O-N 3.22Å; Y168-C171 WeakPolarHBondContact O-CB 3.47Å; Y168-C171 PolarHBondContact O-N 3.17Å; Y168-L172 HydrophobicContact CD1-CD1 4.2Å; Y168-L172 HydrophobicContact CE1-CD1 3.72Å; Y168-L172 HydrophobicContact CE1-CG 4.21Å; Y168-L172 PolarHBondContact O-N 2.89Å; Y168-V186 HydrophobicContact CE1-CG1 4.38Å; Y168-I190 HydrophobicContact CD1-CD1 4.17Å; Y168-I190 HydrophobicContact CD1-CG1 3.91Å; Y168-I190 HydrophobicContact CD1-CG2 4.35Å; Y168-I190 HydrophobicContact CE1-CD1 4.22Å; Y168-I190 HydrophobicContact CE1-CG1 3.9Å
169L98.8Very high97.4Very high0 Ų023.1 Ų23.10%011%0.109CC..Hα-helixtrans-59.7-36.1174.5-71.7-179.9000112.4R165 T166 C171 L172 V173 V187 I190 T191 I194 T250 V254R165-L169 PolarHBondContact O-N 2.98Å; T166-L169 PolarHBondContact O-N 3.47Å; L169-C171 VanDerWaalsContact C-N 3.27Å; L169-C171 PolarHBondContact O-N 3.4Å; L169-L172 HydrophobicContact CD2-CD1 4.33Å; L169-L172 PolarHBondContact O-N 2.95Å; L169-L172 VanDerWaalsContact O-N 3.14Å; L169-V173 WeakPolarHBondContact O-CB 3.39Å; L169-V173 WeakPolarHBondContact O-CG2 3.46Å; L169-V173 PolarHBondContact O-N 2.81Å; L169-V187 HydrophobicContact CD2-CG1 4.18Å; L169-I190 HydrophobicContact CD1-CG2 4.06Å; L169-I190 HydrophobicContact CD2-CB 3.92Å; L169-I190 HydrophobicContact CD2-CG2 3.77Å; L169-I190 HydrophobicContact CG-CB 4.38Å; L169-I190 HydrophobicContact CG-CG2 3.67Å; L169-T191 HydrophobicContact CD1-CG2 3.81Å; L169-T191 HydrophobicContact CD2-CG2 4.44Å; L169-I194 HydrophobicContact CD1-CD1 3.5Å; L169-I194 VanDerWaalsContact CD1-CD1 3.5Å; L169-I194 HydrophobicContact CG-CD1 4.45Å; L169-T250 HydrophobicContact CB-CG2 3.53Å; L169-T250 HydrophobicContact CD1-CG2 4.2Å; L169-V254 HydrophobicContact CB-CG2 4.4Å; L169-V254 HydrophobicContact CD1-CG2 4.34Å; L169-V254 HydrophobicContact CD2-CG2 4.43Å
170N98.9Very high97.2Very high3 Ų322.8 Ų22.82%0.01611%0.107CC..Hα-helixtrans-61-35.6174.5-70.7-22.7000112.5V111 Y112 T166 Y168 T174 T250 L425V111-N170 HydrophobicContact CG1-CB 4.3Å; Y112-N170 HydrophobicContact CE2-CB 4.44Å; T166-N170 PolarHBondContact O-N 3.4Å; T166-N170 PolarHBondContact O-ND2 3.4Å; Y168-N170 VanDerWaalsContact C-N 3.26Å; Y168-N170 PolarHBondContact O-N 3.22Å; N170-T174 WeakPolarHBondContact O-CB 3.27Å; N170-T174 PolarHBondContact O-N 3.45Å; N170-T174 PolarHBondContact O-OG1 2.94Å; N170-T250 VanDerWaalsContact OD1-CG2 3.27Å; N170-T250 WeakPolarHBondContact OD1-CG2 3.5Å; N170-T250 PolarHBondContact OD1-OG1 3.04Å; N170-L425 WeakPolarHBondContact CB-O 3.38Å
171C98.8Very high97Very high0 Ų028.8 Ų28.80%014%0.14CC..Hα-helixtrans-61.7-52.8170.2-174.10000111.1V111 I116 C120 G167 Y168 L169 V173 T174 L175V111-C171 HydrophobicContact CB-CB 4.01Å; V111-C171 HydrophobicContact CG2-CB 4.13Å; I116-C171 HydrophobicContact CG2-CB 3.77Å; C120-C171 VanDerWaalsContact SG-SG 3.7Å; G167-C171 PolarHBondContact O-N 3.45Å; Y168-C171 WeakPolarHBondContact O-CB 3.47Å; Y168-C171 PolarHBondContact O-N 3.17Å; L169-C171 VanDerWaalsContact C-N 3.27Å; L169-C171 PolarHBondContact O-N 3.4Å; C171-V173 VanDerWaalsContact C-N 3.32Å; C171-V173 PolarHBondContact O-N 2.9Å; C171-T174 WeakPolarHBondContact O-CB 3.38Å; C171-T174 PolarHBondContact O-N 3.09Å; C171-T174 VanDerWaalsContact O-N 3.09Å; C171-L175 WeakPolarHBondContact O-CG 3.04Å; C171-L175 PolarHBondContact O-N 3.45Å
172L98.7Very high97Very high0 Ų028.9 Ų28.90%014%0.14CC..Hα-helixtrans-61.3-40.6-177.1-61.5-170.5000112.3I143 L144 Y168 L169 L175 R176 I182 V186 V187I143-L172 HydrophobicContact CG2-CD2 3.95Å; L144-L172 HydrophobicContact CD2-CD2 4.1Å; Y168-L172 HydrophobicContact CD1-CD1 4.2Å; Y168-L172 HydrophobicContact CE1-CD1 3.72Å; Y168-L172 HydrophobicContact CE1-CG 4.21Å; Y168-L172 PolarHBondContact O-N 2.89Å; L169-L172 HydrophobicContact CD2-CD1 4.33Å; L169-L172 PolarHBondContact O-N 2.95Å; L169-L172 VanDerWaalsContact O-N 3.14Å; L172-L175 PolarHBondContact O-N 3.43Å; L172-R176 WeakPolarHBondContact O-CB 3.44Å; L172-R176 PolarHBondContact O-N 3.19Å; L172-I182 HydrophobicContact CB-CG2 4.19Å; L172-I182 HydrophobicContact CD1-CG2 4.3Å; L172-I182 HydrophobicContact CD2-CG2 4.15Å; L172-I182 HydrophobicContact CG-CG2 4.44Å; L172-V186 HydrophobicContact CD1-CG1 4.06Å; L172-V187 HydrophobicContact CD1-CG2 3.93Å
173V98.5Very high96.9Very high1 Ų131 Ų311%0.00615%0.154CC..Hα-helixtrans-60.4-48.3172.51630000110.9L169 C171 L175 R176 E177 K253 V254 L257 F258L169-V173 WeakPolarHBondContact O-CB 3.39Å; L169-V173 WeakPolarHBondContact O-CG2 3.46Å; L169-V173 PolarHBondContact O-N 2.81Å; C171-V173 VanDerWaalsContact C-N 3.32Å; C171-V173 PolarHBondContact O-N 2.9Å; V173-L175 VanDerWaalsContact C-N 3.32Å; V173-L175 PolarHBondContact O-N 2.73Å; V173-R176 PolarHBondContact O-N 3.43Å; V173-E177 WeakPolarHBondContact O-CG 3.15Å; V173-E177 PolarHBondContact O-N 3.23Å; V173-K253 HydrophobicContact CG1-CD 3.62Å; V173-K253 HydrophobicContact CG1-CG 3.86Å; V173-K253 HydrophobicContact CG2-CG 4.47Å; V173-V254 HydrophobicContact CG2-CG2 3.72Å; V173-L257 HydrophobicContact CG1-CD1 3.85Å; V173-F258 HydrophobicContact CG2-CE2 4.04Å
174T97.7Very high97Very high14 Ų1430.3 Ų30.39%0.08616%0.155CC..Hα-helixtrans-60.8-42.3179.6-59.50000111.2L124 N170 C171 E177 N178 L425L124-T174 HydrophobicContact CD1-CG2 3.94Å; L124-T174 HydrophobicContact CD2-CG2 4.3Å; N170-T174 WeakPolarHBondContact O-CB 3.27Å; N170-T174 PolarHBondContact O-N 3.45Å; N170-T174 PolarHBondContact O-OG1 2.94Å; C171-T174 WeakPolarHBondContact O-CB 3.38Å; C171-T174 PolarHBondContact O-N 3.09Å; C171-T174 VanDerWaalsContact O-N 3.09Å; T174-E177 PolarHBondContact O-N 3.45Å; T174-N178 PolarHBondContact O-N 3.27Å; T174-N178 PolarHBondContact O-ND2 3.02Å; T174-L425 HydrophobicContact CG2-CD2 4.24Å
175L96.8Very high97Very high0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-64-44.9175.1-67.4174.1000111.3A123 L124 V140 I143 C171 L172 V173 E177 N178 N179 F180 I182A123-L175 HydrophobicContact CB-CD2 3.7Å; L124-L175 HydrophobicContact CD2-CD2 4.32Å; V140-L175 HydrophobicContact CG2-CD1 4.39Å; I143-L175 HydrophobicContact CD1-CD1 4Å; I143-L175 HydrophobicContact CG2-CD1 4.39Å; C171-L175 WeakPolarHBondContact O-CG 3.04Å; C171-L175 PolarHBondContact O-N 3.45Å; L172-L175 PolarHBondContact O-N 3.43Å; V173-L175 VanDerWaalsContact C-N 3.32Å; V173-L175 PolarHBondContact O-N 2.73Å; L175-E177 VanDerWaalsContact C-N 3.35Å; L175-E177 PolarHBondContact O-N 3.34Å; L175-N178 CarbonylContact O-C 3.05Å; L175-N178 VanDerWaalsContact O-C 3.29Å; L175-N178 WeakPolarHBondContact O-CA 3.21Å; L175-N178 PolarHBondContact O-N 3.12Å; L175-N179 PolarHBondContact O-N 2.66Å; L175-F180 HydrophobicContact CB-CB 3.95Å; L175-F180 HydrophobicContact CB-CD2 4.1Å; L175-F180 HydrophobicContact CB-CG 4.19Å; L175-F180 HydrophobicContact CD2-CD2 3.85Å; L175-F180 HydrophobicContact CD2-CE2 3.99Å; L175-F180 HydrophobicContact CD2-CG 4.22Å; L175-F180 HydrophobicContact CD2-CZ 4.46Å; L175-F180 WeakPolarHBondContact O-CB 3.49Å; L175-F180 VanDerWaalsContact O-CD2 3.31Å; L175-F180 WeakPolarHBondContact O-CD2 3.38Å; L175-F180 PolarHBondContact O-N 3.2Å; L175-I182 HydrophobicContact CB-CD1 3.97Å; L175-I182 HydrophobicContact CB-CG1 4.21Å; L175-I182 HydrophobicContact CD1-CD1 4.06Å
176R96.3Very high97Very high89 Ų8935.2 Ų35.234%0.33619%0.189SC..Hα-helixtrans-60.7-41.2176.8179.358.3163-172.4-2.6112.8L172 V173 N178 N179 L257 F258L172-R176 WeakPolarHBondContact O-CB 3.44Å; L172-R176 PolarHBondContact O-N 3.19Å; V173-R176 PolarHBondContact O-N 3.43Å; R176-N178 PolarHBondContact O-N 3.48Å; R176-N179 PolarHBondContact O-N 3.35Å; R176-N179 VanDerWaalsContact O-N 3.09Å; R176-L257 HydrophobicContact CG-CB 4.42Å; R176-F258 HydrophobicContact CB-CE1 3.99Å; R176-F258 HydrophobicContact CB-CE2 4.19Å; R176-F258 HydrophobicContact CB-CZ 3.45Å; R176-F258 VanDerWaalsContact CB-CZ 3.45Å; R176-F258 HydrophobicContact CG-CE1 3.83Å; R176-F258 HydrophobicContact CG-CE2 4.26Å; R176-F258 HydrophobicContact CG-CZ 3.65Å
177E94Very high97Very high62 Ų6235.2 Ų35.229%0.2919%0.189SC..Hα-helixtrans-64.4-21.2174.2-72.5-178.212200112.7V173 T174 L175 K253 L257 K422V173-E177 WeakPolarHBondContact O-CG 3.15Å; V173-E177 PolarHBondContact O-N 3.23Å; T174-E177 PolarHBondContact O-N 3.45Å; L175-E177 VanDerWaalsContact C-N 3.35Å; L175-E177 PolarHBondContact O-N 3.34Å; E177-K253 VanDerWaalsContact CD-CE 3.44Å; E177-K253 WeakPolarHBondContact OE1-CE 3.46Å; E177-K253 IonicContact OE1-NZ 3.31Å; E177-K253 PolarHBondContact OE1-NZ 3.22Å; E177-K253 WeakPolarHBondContact OE2-CE 3.46Å; E177-K253 IonicContact OE2-NZ 2.88Å; E177-K253 PolarHBondContact OE2-NZ 3.02Å; E177-L257 HydrophobicContact CG-CD1 3.92Å; E177-K422 IonicContact OE1-NZ 2.73Å; E177-K422 PolarHBondContact OE1-NZ 3.15Å
178N92.7Very high97Very high58 Ų5836.6 Ų36.631%0.3120%0.198SC..THydrogen-bonded Turntrans-100.725174.2-73.1-89.2000112.7L124 T174 L175 R176 F180L124-N178 HydrophobicContact CD2-CB 3.84Å; T174-N178 PolarHBondContact O-N 3.27Å; T174-N178 PolarHBondContact O-ND2 3.02Å; L175-N178 CarbonylContact O-C 3.05Å; L175-N178 VanDerWaalsContact O-C 3.29Å; L175-N178 WeakPolarHBondContact O-CA 3.21Å; L175-N178 PolarHBondContact O-N 3.12Å; R176-N178 PolarHBondContact O-N 3.48Å; N178-F180 VanDerWaalsContact C-N 3.28Å; N178-F180 HydrophobicContact CB-CD2 4.09Å; N178-F180 HydrophobicContact CB-CE2 4.18Å; N178-F180 PolarHBondContact O-N 3.5Å
179N93Very high97Very high144 Ų14439.1 Ų39.177%0.7722%0.216SC*.THydrogen-bonded Turntrans65.418.3173.9-53-55.7000116.2L175 R176L175-N179 PolarHBondContact O-N 2.66Å; R176-N179 PolarHBondContact O-N 3.35Å; R176-N179 VanDerWaalsContact O-N 3.09Å
180F94.2Very high97Very high6 Ų639.1 Ų39.13%0.02622%0.216CC..  trans-71.7141.8168.9-71.3-90.9000110.8A123 L124 V127 E132 A136 V140 L175 N178 I182A123-F180 HydrophobicContact CB-CE1 4.39Å; A123-F180 HydrophobicContact CB-CZ 4.12Å; A123-F180 WeakPolarHBondContact O-CZ 3.34Å; L124-F180 HydrophobicContact CD2-CE2 4.44Å; V127-F180 HydrophobicContact CG2-CE2 3.71Å; V127-F180 HydrophobicContact CG2-CZ 3.46Å; V127-F180 VanDerWaalsContact CG2-CZ 3.46Å; E132-F180 HydrophobicContact CB-CE1 4.35Å; E132-F180 HydrophobicContact CG-CD1 4.15Å; E132-F180 HydrophobicContact CG-CE1 3.73Å; E132-F180 WeakPolarHBondContact OE1-CD1 3.22Å; A136-F180 HydrophobicContact CB-CE1 4.01Å; A136-F180 HydrophobicContact CB-CZ 4.26Å; V140-F180 HydrophobicContact CG2-CD1 3.52Å; V140-F180 HydrophobicContact CG2-CE1 3.65Å; V140-F180 HydrophobicContact CG2-CG 4.35Å; L175-F180 HydrophobicContact CB-CB 3.95Å; L175-F180 HydrophobicContact CB-CD2 4.1Å; L175-F180 HydrophobicContact CB-CG 4.19Å; L175-F180 HydrophobicContact CD2-CD2 3.85Å; L175-F180 HydrophobicContact CD2-CE2 3.99Å; L175-F180 HydrophobicContact CD2-CG 4.22Å; L175-F180 HydrophobicContact CD2-CZ 4.46Å; L175-F180 WeakPolarHBondContact O-CB 3.49Å; L175-F180 VanDerWaalsContact O-CD2 3.31Å; L175-F180 WeakPolarHBondContact O-CD2 3.38Å; L175-F180 PolarHBondContact O-N 3.2Å; N178-F180 VanDerWaalsContact C-N 3.28Å; N178-F180 HydrophobicContact CB-CD2 4.09Å; N178-F180 HydrophobicContact CB-CE2 4.18Å; N178-F180 PolarHBondContact O-N 3.5Å; F180-I182 HydrophobicContact CB-CD1 4.14Å; F180-I182 HydrophobicContact CB-CG1 4.38Å; F180-I182 PolarHBondContact O-N 3.07Å
181D93.4Very high97Very high129 Ų12939 Ų3969%0.6922%0.216SC*.  trans-82.1109.1173.5-170.328.1000109.9
182I97.3Very high97Very high3 Ų342 Ų422%0.01523%0.232CC..  trans-113.4120.6-176.4-57.9-58.4000108.2V140 L144 L172 L175 F180 I184 V187 F258V140-I182 HydrophobicContact CG1-CD1 4.07Å; L144-I182 HydrophobicContact CD2-CD1 4.5Å; L144-I182 HydrophobicContact CD2-CG2 4.31Å; L172-I182 HydrophobicContact CB-CG2 4.19Å; L172-I182 HydrophobicContact CD1-CG2 4.3Å; L172-I182 HydrophobicContact CD2-CG2 4.15Å; L172-I182 HydrophobicContact CG-CG2 4.44Å; L175-I182 HydrophobicContact CB-CD1 3.97Å; L175-I182 HydrophobicContact CB-CG1 4.21Å; L175-I182 HydrophobicContact CD1-CD1 4.06Å; F180-I182 HydrophobicContact CB-CD1 4.14Å; F180-I182 HydrophobicContact CB-CG1 4.38Å; F180-I182 PolarHBondContact O-N 3.07Å; I182-I184 PolarHBondContact O-N 3.03Å; I182-V187 HydrophobicContact CG2-CG2 3.85Å; I182-F258 HydrophobicContact CB-CE1 3.88Å; I182-F258 HydrophobicContact CB-CZ 4.31Å; I182-F258 HydrophobicContact CG2-CE1 3.98Å; I182-F258 HydrophobicContact CG2-CZ 4.24Å
183P97.7Very high97Very high50 Ų5042.1 Ų42.133%0.32523%0.233SC..  trans-60124.9-177.7-25.434000112.6L144 S185 V186 V187L144-P183 HydrophobicContact CD1-CG 4.31Å; P183-S185 PolarHBondContact O-N 3.45Å; P183-V186 HydrophobicContact CB-CB 4.48Å; P183-V186 HydrophobicContact CB-CG2 4.1Å; P183-V186 HydrophobicContact CG-CG2 4.46Å; P183-V186 PolarHBondContact O-N 3.28Å; P183-V187 PolarHBondContact O-N 3.16Å
184I98.1Very high97Very high76 Ų7642.1 Ų42.139%0.3923%0.233SC..Hα-helixtrans-57.4-33.5177-66.9167.8000111.1I182 V186 V187 S188I182-I184 PolarHBondContact O-N 3.03Å; I184-V186 VanDerWaalsContact C-N 3.33Å; I184-V186 PolarHBondContact O-N 3.47Å; I184-V187 PolarHBondContact O-N 2.95Å; I184-S188 VanDerWaalsContact O-CB 3.25Å; I184-S188 WeakPolarHBondContact O-CB 3.44Å; I184-S188 PolarHBondContact O-N 2.99Å
185S98Very high97Very high81 Ų8141.7 Ų41.757%0.56623%0.23SC*.Hα-helixtrans-61.3-38.2177.554.20000113.2P183 S189P183-S185 PolarHBondContact O-N 3.45Å; S185-S189 WeakPolarHBondContact O-CB 3.44Å; S185-S189 PolarHBondContact O-N 3.39Å; S185-S189 PolarHBondContact O-OG 3.44Å
186V98.5Very high97.1Very high23 Ų2347.5 Ų47.514%0.13926%0.255CS..Hα-helixtrans-66.9-47.6176.11720000109.9L144 Y168 L172 P183 I184 S189 I190L144-V186 HydrophobicContact CD2-CG1 4.15Å; L144-V186 HydrophobicContact CD2-CG2 4.43Å; Y168-V186 HydrophobicContact CE1-CG1 4.38Å; L172-V186 HydrophobicContact CD1-CG1 4.06Å; P183-V186 HydrophobicContact CB-CB 4.48Å; P183-V186 HydrophobicContact CB-CG2 4.1Å; P183-V186 HydrophobicContact CG-CG2 4.46Å; P183-V186 PolarHBondContact O-N 3.28Å; I184-V186 VanDerWaalsContact C-N 3.33Å; I184-V186 PolarHBondContact O-N 3.47Å; V186-S189 PolarHBondContact O-N 3Å; V186-I190 WeakPolarHBondContact O-CG1 3.3Å; V186-I190 PolarHBondContact O-N 3.23Å
187V98.7Very high97.2Very high0 Ų044 Ų440%025%0.245CC..Hα-helixtrans-60.8-49.5178.8-179.50000110.8L169 L172 I182 P183 I184 S189 I190 T191 V254 F258L169-V187 HydrophobicContact CD2-CG1 4.18Å; L172-V187 HydrophobicContact CD1-CG2 3.93Å; I182-V187 HydrophobicContact CG2-CG2 3.85Å; P183-V187 PolarHBondContact O-N 3.16Å; I184-V187 PolarHBondContact O-N 2.95Å; V187-S189 VanDerWaalsContact C-N 3.31Å; V187-S189 PolarHBondContact O-N 3.26Å; V187-I190 PolarHBondContact O-N 3.45Å; V187-T191 HydrophobicContact CG1-CG2 4.44Å; V187-T191 PolarHBondContact O-N 3.33Å; V187-T191 PolarHBondContact O-OG1 2.76Å; V187-V254 HydrophobicContact CG1-CG1 3.37Å; V187-V254 HydrophobicContact CG1-CG2 4.39Å; V187-F258 HydrophobicContact CB-CD1 4.49Å; V187-F258 HydrophobicContact CB-CG 4.39Å; V187-F258 HydrophobicContact CG1-CB 4.17Å; V187-F258 HydrophobicContact CG1-CD2 3.94Å; V187-F258 HydrophobicContact CG1-CE2 4.42Å; V187-F258 HydrophobicContact CG1-CG 3.97Å; V187-F258 HydrophobicContact CG2-CD1 3.87Å; V187-F258 HydrophobicContact CG2-CD2 4.34Å; V187-F258 HydrophobicContact CG2-CE1 3.8Å; V187-F258 HydrophobicContact CG2-CE2 4.27Å; V187-F258 HydrophobicContact CG2-CG 4.12Å; V187-F258 HydrophobicContact CG2-CZ 3.98Å
188S98.5Very high97.4Very high29 Ų2941.1 Ų41.120%0.20323%0.231CC..Hα-helixtrans-57.3-42179-171.30000112.1I184 I190 T191 D192 S261I184-S188 VanDerWaalsContact O-CB 3.25Å; I184-S188 WeakPolarHBondContact O-CB 3.44Å; I184-S188 PolarHBondContact O-N 2.99Å; S188-I190 VanDerWaalsContact C-N 3.33Å; S188-I190 PolarHBondContact O-N 3.09Å; S188-T191 VanDerWaalsContact CA-OG1 3.28Å; S188-T191 WeakPolarHBondContact CA-OG1 3.28Å; S188-T191 PolarHBondContact O-N 2.58Å; S188-T191 PolarHBondContact O-OG1 3.48Å; S188-D192 VanDerWaalsContact O-CB 3.31Å; S188-D192 WeakPolarHBondContact O-CB 3.31Å; S188-D192 PolarHBondContact O-N 3.03Å; S188-S261 PolarHBondContact OG-O 3.13Å
189S98.4Very high97.7Very high54 Ų5442.6 Ų42.638%0.37824%0.236SC..Hα-helixtrans-65.8-37.3-179-58.50000112.1S185 V186 V187 A193S185-S189 WeakPolarHBondContact O-CB 3.44Å; S185-S189 PolarHBondContact O-N 3.39Å; S185-S189 PolarHBondContact O-OG 3.44Å; V186-S189 PolarHBondContact O-N 3Å; V187-S189 VanDerWaalsContact C-N 3.31Å; V187-S189 PolarHBondContact O-N 3.26Å; S189-A193 PolarHBondContact O-N 2.76Å; S189-A193 VanDerWaalsContact O-N 3.16Å
190I98.6Very high98Very high0 Ų041.5 Ų41.50%022%0.224CC..Hα-helixtrans-75.2-41177.5-59.5-65.4000111.3I151 R165 Y168 L169 V186 V187 S188 D192 A193 I194I151-I190 HydrophobicContact CG2-CD1 3.96Å; R165-I190 HydrophobicContact CB-CG2 3.97Å; Y168-I190 HydrophobicContact CD1-CD1 4.17Å; Y168-I190 HydrophobicContact CD1-CG1 3.91Å; Y168-I190 HydrophobicContact CD1-CG2 4.35Å; Y168-I190 HydrophobicContact CE1-CD1 4.22Å; Y168-I190 HydrophobicContact CE1-CG1 3.9Å; L169-I190 HydrophobicContact CD1-CG2 4.06Å; L169-I190 HydrophobicContact CD2-CB 3.92Å; L169-I190 HydrophobicContact CD2-CG2 3.77Å; L169-I190 HydrophobicContact CG-CB 4.38Å; L169-I190 HydrophobicContact CG-CG2 3.67Å; V186-I190 WeakPolarHBondContact O-CG1 3.3Å; V186-I190 PolarHBondContact O-N 3.23Å; V187-I190 PolarHBondContact O-N 3.45Å; S188-I190 VanDerWaalsContact C-N 3.33Å; S188-I190 PolarHBondContact O-N 3.09Å; I190-D192 VanDerWaalsContact C-N 3.32Å; I190-D192 PolarHBondContact O-N 3.27Å; I190-A193 PolarHBondContact O-N 2.78Å; I190-I194 HydrophobicContact CG2-CD1 4.34Å; I190-I194 WeakPolarHBondContact O-CG1 3.19Å; I190-I194 PolarHBondContact O-N 3.48Å
191T98.7Very high98.1Very high0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-62.9-40.2174.949.30000111.7L169 V187 S188 A193 I194 L195 L251 V254 S261 I262L169-T191 HydrophobicContact CD1-CG2 3.81Å; L169-T191 HydrophobicContact CD2-CG2 4.44Å; V187-T191 HydrophobicContact CG1-CG2 4.44Å; V187-T191 PolarHBondContact O-N 3.33Å; V187-T191 PolarHBondContact O-OG1 2.76Å; S188-T191 VanDerWaalsContact CA-OG1 3.28Å; S188-T191 WeakPolarHBondContact CA-OG1 3.28Å; S188-T191 PolarHBondContact O-N 2.58Å; S188-T191 PolarHBondContact O-OG1 3.48Å; T191-A193 VanDerWaalsContact C-N 3.31Å; T191-A193 PolarHBondContact O-N 2.76Å; T191-I194 PolarHBondContact O-N 3.39Å; T191-L195 VanDerWaalsContact O-CG 3.3Å; T191-L195 WeakPolarHBondContact O-CG 3.45Å; T191-L195 PolarHBondContact O-N 3.45Å; T191-L251 HydrophobicContact CG2-CD2 3.97Å; T191-V254 HydrophobicContact CG2-CB 4.46Å; T191-V254 HydrophobicContact CG2-CG1 3.66Å; T191-S261 PolarHBondContact OG1-O 2.73Å; T191-I262 HydrophobicContact CG2-CD1 3.92Å; T191-I262 HydrophobicContact CG2-CG1 3.95Å
192D98.5Very high98.4Very high63 Ų6336.4 Ų36.434%0.33720%0.199SC..Hα-helixtrans-62.5-39.2175.3-76.3-12.8000111.7S188 I190 L195 K196S188-D192 VanDerWaalsContact O-CB 3.31Å; S188-D192 WeakPolarHBondContact O-CB 3.31Å; S188-D192 PolarHBondContact O-N 3.03Å; I190-D192 VanDerWaalsContact C-N 3.32Å; I190-D192 PolarHBondContact O-N 3.27Å; D192-L195 PolarHBondContact O-N 2.89Å; D192-K196 VanDerWaalsContact O-CB 3.32Å; D192-K196 WeakPolarHBondContact O-CB 3.49Å; D192-K196 VanDerWaalsContact O-CG 3.23Å; D192-K196 WeakPolarHBondContact O-CG 3.3Å; D192-K196 PolarHBondContact O-N 3.2Å
193A98.5Very high98.4Very high3 Ų338.3 Ų38.33%0.02522%0.219CC..Hα-helixtrans-63.3-44.6175.500000111.9G150 V153 S189 I190 T191 S197G150-A193 WeakPolarHBondContact O-CB 3.15Å; V153-A193 HydrophobicContact CG2-CB 4.02Å; S189-A193 PolarHBondContact O-N 2.76Å; S189-A193 VanDerWaalsContact O-N 3.16Å; I190-A193 PolarHBondContact O-N 2.78Å; T191-A193 VanDerWaalsContact C-N 3.31Å; T191-A193 PolarHBondContact O-N 2.76Å; A193-S197 WeakPolarHBondContact O-CB 3.31Å; A193-S197 PolarHBondContact O-N 3.3Å
194I98.8Very high98.5Very high0 Ų037.9 Ų37.90%022%0.22CC..Hα-helixtrans-61.5-46175.8-66.7170.5000111D159 R165 L169 I190 T191 S197 G198 F230 I247 L251D159-I194 HydrophobicContact CB-CG2 4.48Å; R165-I194 HydrophobicContact CB-CD1 3.72Å; R165-I194 HydrophobicContact CB-CG1 3.55Å; R165-I194 HydrophobicContact CG-CG1 4.32Å; L169-I194 HydrophobicContact CD1-CD1 3.5Å; L169-I194 VanDerWaalsContact CD1-CD1 3.5Å; L169-I194 HydrophobicContact CG-CD1 4.45Å; I190-I194 HydrophobicContact CG2-CD1 4.34Å; I190-I194 WeakPolarHBondContact O-CG1 3.19Å; I190-I194 PolarHBondContact O-N 3.48Å; T191-I194 PolarHBondContact O-N 3.39Å; I194-S197 PolarHBondContact O-N 3.46Å; I194-G198 PolarHBondContact O-N 2.86Å; I194-F230 HydrophobicContact CG2-CE1 3.86Å; I194-F230 HydrophobicContact CG2-CZ 4.06Å; I194-I247 HydrophobicContact CG2-CG2 3.87Å; I194-L251 HydrophobicContact CG2-CD1 4.22Å; I194-L251 HydrophobicContact CG2-CD2 4.43Å
195L98.8Very high98.5Very high6 Ų635.1 Ų35.13%0.03121%0.205CC..Hα-helixtrans-65.4-44.8-179-68.6174.7000111.6T191 D192 G198 Q199 L228 L251 L270 I271T191-L195 VanDerWaalsContact O-CG 3.3Å; T191-L195 WeakPolarHBondContact O-CG 3.45Å; T191-L195 PolarHBondContact O-N 3.45Å; D192-L195 PolarHBondContact O-N 2.89Å; L195-G198 PolarHBondContact O-N 2.92Å; L195-Q199 WeakPolarHBondContact O-CG 3.46Å; L195-Q199 PolarHBondContact O-N 3.07Å; L195-L228 HydrophobicContact CD2-CD1 3.73Å; L195-L228 HydrophobicContact CD2-CD2 4.23Å; L195-L251 HydrophobicContact CD2-CD1 4.27Å; L195-L270 HydrophobicContact CD2-CB 4.41Å; L195-L270 HydrophobicContact CD2-CD1 4.36Å; L195-I271 HydrophobicContact CD2-CD1 4.27Å; L195-I271 HydrophobicContact CD2-CG1 3.89Å
196K98.5Very high98.4Very high122 Ų12238.9 Ų38.953%0.5321%0.211SC..Hα-helixtrans-62.5-44.2176-74.4170.7-177.3170.30111.8V153 D192 Q199 K200V153-K196 HydrophobicContact CG1-CB 4.43Å; V153-K196 HydrophobicContact CG2-CB 4.02Å; V153-K196 HydrophobicContact CG2-CD 4.36Å; D192-K196 VanDerWaalsContact O-CB 3.32Å; D192-K196 WeakPolarHBondContact O-CB 3.49Å; D192-K196 VanDerWaalsContact O-CG 3.23Å; D192-K196 WeakPolarHBondContact O-CG 3.3Å; D192-K196 PolarHBondContact O-N 3.2Å; K196-Q199 PolarHBondContact O-N 2.93Å; K196-K200 WeakPolarHBondContact O-CB 3.17Å; K196-K200 PolarHBondContact O-N 3.32Å
197S98.4Very high98.4Very high16 Ų1642 Ų4211%0.11223%0.234CC..Hα-helixtrans-57.9-50.2174.5-179.10000110.8D159 A193 I194 Q199 K200 T201D159-S197 WeakPolarHBondContact OD2-CB 3.32Å; D159-S197 PolarHBondContact OD2-OG 2.99Å; A193-S197 WeakPolarHBondContact O-CB 3.31Å; A193-S197 PolarHBondContact O-N 3.3Å; I194-S197 PolarHBondContact O-N 3.46Å; S197-Q199 PolarHBondContact O-N 2.73Å; S197-K200 WeakPolarHBondContact O-CB 3.44Å; S197-K200 PolarHBondContact O-N 3.45Å; S197-K200 VanDerWaalsContact O-N 3.16Å; S197-T201 PolarHBondContact O-N 3.25Å; S197-T201 PolarHBondContact O-OG1 3.12Å; S197-T201 VanDerWaalsContact O-OG1 3.1Å
198G98.6Very high98.3Very high0 Ų046 Ų460%026%0.255CS..Hα-helixtrans-60.1-40.5178.700000113.9I194 L195 A202 M229I194-G198 PolarHBondContact O-N 2.86Å; L195-G198 PolarHBondContact O-N 2.92Å; G198-A202 WeakPolarHBondContact O-CB 3.36Å; G198-A202 PolarHBondContact O-N 3.3Å; G198-M229 WeakPolarHBondContact CA-O 3.47Å; G198-M229 PolarHBondContact O-N 3.26Å
199Q98.6Very high98.3Very high90 Ų9045.4 Ų45.442%0.42125%0.253SS..Hα-helixtrans-68-40.8175-71.8179.8-62.800112.4L195 K196 S197 A202 G203 L228 L270L195-Q199 WeakPolarHBondContact O-CG 3.46Å; L195-Q199 PolarHBondContact O-N 3.07Å; K196-Q199 PolarHBondContact O-N 2.93Å; S197-Q199 PolarHBondContact O-N 2.73Å; Q199-A202 PolarHBondContact O-N 3.42Å; Q199-G203 PolarHBondContact O-N 2.99Å; Q199-L228 HydrophobicContact CG-CD2 3.75Å; Q199-L270 HydrophobicContact CG-CD1 4.44Å; Q199-L270 HydrophobicContact CG-CD2 4.26Å
200K98.2Very high98.3Very high121 Ų12147 Ų4753%0.52625%0.254SS..Hα-helixtrans-60.8-48.3177.1-178-175.2178.2-172.40110.6D154 K196 S197 G203 A204D154-K200 IonicContact OD1-NZ 3.12Å; D154-K200 PolarHBondContact OD1-NZ 3.08Å; K196-K200 WeakPolarHBondContact O-CB 3.17Å; K196-K200 PolarHBondContact O-N 3.32Å; S197-K200 WeakPolarHBondContact O-CB 3.44Å; S197-K200 PolarHBondContact O-N 3.45Å; S197-K200 VanDerWaalsContact O-N 3.16Å; K200-G203 PolarHBondContact O-N 3.25Å; K200-A204 PolarHBondContact O-N 2.85Å
201T98.2Very high98.2Very high22 Ų2247.3 Ų47.314%0.13526%0.255CS..Hα-helixtrans-61.4-44175.9-56.50000111S197 G203 A204 Y205 M229 E231S197-T201 PolarHBondContact O-N 3.25Å; S197-T201 PolarHBondContact O-OG1 3.12Å; S197-T201 VanDerWaalsContact O-OG1 3.1Å; T201-G203 VanDerWaalsContact C-N 3.33Å; T201-G203 PolarHBondContact O-N 3.3Å; T201-A204 PolarHBondContact O-N 3.06Å; T201-Y205 HydrophobicContact CG2-CD2 3.81Å; T201-Y205 HydrophobicContact CG2-CE2 3.7Å; T201-Y205 WeakPolarHBondContact O-CB 3.39Å; T201-Y205 VanDerWaalsContact O-CD2 3.22Å; T201-Y205 WeakPolarHBondContact O-CD2 3.41Å; T201-Y205 PolarHBondContact O-N 3.3Å; T201-M229 WeakPolarHBondContact CB-O 3.44Å; T201-M229 HydrophobicContact CG2-CB 3.82Å; T201-M229 WeakPolarHBondContact CG2-O 3.44Å; T201-E231 HydrophobicContact CG2-CG 4.48Å
202A98.5Very high98.2Very high6 Ų652.6 Ų52.65%0.0528%0.283CS..Hα-helixtrans-59.9-43.1175.400000111.8G198 Q199 A204 Y205 K206 M225 P227 M229G198-A202 WeakPolarHBondContact O-CB 3.36Å; G198-A202 PolarHBondContact O-N 3.3Å; Q199-A202 PolarHBondContact O-N 3.42Å; A202-A204 PolarHBondContact O-N 2.85Å; A202-Y205 PolarHBondContact O-N 3.3Å; A202-K206 WeakPolarHBondContact O-CB 3.29Å; A202-K206 PolarHBondContact O-N 2.67Å; A202-M225 HydrophobicContact CB-CE 4.07Å; A202-M225 WeakPolarHBondContact O-CE 2.93Å; A202-P227 WeakPolarHBondContact CB-O 3.38Å; A202-M229 HydrophobicContact CB-CB 4.04Å; A202-M229 HydrophobicContact CB-CG 3.77Å
203G98.4Very high98.1Very high42 Ų4256.5 Ų56.543%0.43329%0.293SS..Hα-helixtrans-57.7-47.3174.900000112.9Q199 K200 T201 K206 S207Q199-G203 PolarHBondContact O-N 2.99Å; K200-G203 PolarHBondContact O-N 3.25Å; T201-G203 VanDerWaalsContact C-N 3.33Å; T201-G203 PolarHBondContact O-N 3.3Å; G203-K206 PolarHBondContact O-N 3Å; G203-S207 PolarHBondContact O-N 2.91Å; G203-S207 PolarHBondContact O-OG 3.18Å
204A98Very high98.1Very high42 Ų4258.7 Ų58.735%0.34730%0.304SS..Hα-helixtrans-65.3-39.9177.200000112.8K200 T201 A202 K206 S207 N208K200-A204 PolarHBondContact O-N 2.85Å; T201-A204 PolarHBondContact O-N 3.06Å; A202-A204 PolarHBondContact O-N 2.85Å; A204-K206 VanDerWaalsContact C-N 3.33Å; A204-K206 PolarHBondContact O-N 2.87Å; A204-S207 PolarHBondContact O-N 2.9Å; A204-S207 PolarHBondContact O-OG 3.43Å; A204-S207 VanDerWaalsContact O-OG 3.07Å; A204-N208 WeakPolarHBondContact O-CB 3.46Å; A204-N208 PolarHBondContact O-N 2.63Å; A204-N208 VanDerWaalsContact O-N 3.09Å; A204-N208 PolarHBondContact O-ND2 2.95Å
205Y98.2Very high98Very high17 Ų1758.7 Ų58.77%0.06730%0.304CS..Hα-helixtrans-64.5-39.6177.2-90.8-121.7000112T201 A202 G209 F210 L214 M229 E231 C236T201-Y205 HydrophobicContact CG2-CD2 3.81Å; T201-Y205 HydrophobicContact CG2-CE2 3.7Å; T201-Y205 WeakPolarHBondContact O-CB 3.39Å; T201-Y205 VanDerWaalsContact O-CD2 3.22Å; T201-Y205 WeakPolarHBondContact O-CD2 3.41Å; T201-Y205 PolarHBondContact O-N 3.3Å; A202-Y205 PolarHBondContact O-N 3.3Å; Y205-G209 CarbonylContact O-C 3.57Å; Y205-G209 PolarHBondContact O-N 2.76Å; Y205-G209 VanDerWaalsContact O-N 3.12Å; Y205-F210 HydrophobicContact CD1-CB 3.76Å; Y205-F210 HydrophobicContact CD2-CD2 4.4Å; Y205-F210 HydrophobicContact CE1-CB 4.11Å; Y205-F210 HydrophobicContact CG-CB 4Å; Y205-F210 PolarHBondContact O-N 3.24Å; Y205-L214 HydrophobicContact CD1-CD1 4.3Å; Y205-L214 HydrophobicContact CE1-CD1 3.65Å; Y205-M229 HydrophobicContact CD1-CE 3.71Å; Y205-M229 HydrophobicContact CE1-CE 3.89Å; Y205-M229 HydrophobicContact CG-CE 4.44Å; Y205-E231 VanDerWaalsContact CE2-OE2 3.27Å; Y205-E231 WeakPolarHBondContact CE2-OE2 3.32Å; Y205-E231 VanDerWaalsContact CZ-OE2 3.29Å; Y205-E231 PolarHBondContact OH-OE2 2.98Å; Y205-C236 VanDerWaalsContact CE1-SG 3.59Å; Y205-C236 PolarHBondContact OH-SG 3.17Å
206K97.4Very high97.8Very high161 Ų16166.8 Ų66.870%0.734%0.336SS*.Hα-helixtrans-66.5-49.6174.9-172.9177.3-179.7-179.60112A202 G203 A204 N208 G209 M225A202-K206 WeakPolarHBondContact O-CB 3.29Å; A202-K206 PolarHBondContact O-N 2.67Å; G203-K206 PolarHBondContact O-N 3Å; A204-K206 VanDerWaalsContact C-N 3.33Å; A204-K206 PolarHBondContact O-N 2.87Å; K206-N208 VanDerWaalsContact C-N 3.28Å; K206-N208 PolarHBondContact O-N 3.04Å; K206-G209 PolarHBondContact O-N 2.82Å; K206-M225 HydrophobicContact CB-CE 3.78Å; K206-M225 HydrophobicContact CB-SD 4.38Å; K206-M225 HydrophobicContact CD-CE 4.44Å; K206-M225 HydrophobicContact CG-CE 4.45Å
207S98Very high97.5Very high89 Ų8967.9 Ų67.962%0.62234%0.343SS*.Hα-helixtrans-63.7-35.1-176.465.30000112.6G203 A204G203-S207 PolarHBondContact O-N 2.91Å; G203-S207 PolarHBondContact O-OG 3.18Å; A204-S207 PolarHBondContact O-N 2.9Å; A204-S207 PolarHBondContact O-OG 3.43Å; A204-S207 VanDerWaalsContact O-OG 3.07Å
208N97.6Very high97.2Very high84 Ų8467.4 Ų67.445%0.44934%0.34SS..THydrogen-bonded Turntrans-93.5-4-177.3-61.9-24.3000113A204 K206 F210 R213A204-N208 WeakPolarHBondContact O-CB 3.46Å; A204-N208 PolarHBondContact O-N 2.63Å; A204-N208 VanDerWaalsContact O-N 3.09Å; A204-N208 PolarHBondContact O-ND2 2.95Å; K206-N208 VanDerWaalsContact C-N 3.28Å; K206-N208 PolarHBondContact O-N 3.04Å; N208-F210 HydrophobicContact CB-CD2 3.65Å; N208-F210 HydrophobicContact CB-CE2 3.6Å; N208-F210 HydrophobicContact CB-CG 4.17Å; N208-F210 HydrophobicContact CB-CZ 4.05Å; N208-F210 WeakPolarHBondContact ND2-CE2 3.31Å; N208-F210 PolarHBondContact O-N 3.37Å; N208-R213 VanDerWaalsContact O-CZ 3.25Å; N208-R213 PolarHBondContact O-NH1 3.05Å; N208-R213 PolarHBondContact O-NH2 3.36Å
209G97.3Very high96.8Very high15 Ų1572 Ų7216%0.15537%0.372CS..THydrogen-bonded Turntrans6423.2-174.500000114Y205 K206 Y211 R213Y205-G209 CarbonylContact O-C 3.57Å; Y205-G209 PolarHBondContact O-N 2.76Å; Y205-G209 VanDerWaalsContact O-N 3.12Å; K206-G209 PolarHBondContact O-N 2.82Å; G209-Y211 VanDerWaalsContact C-N 3.35Å; G209-R213 WeakPolarHBondContact O-CG 3.35Å; G209-R213 PolarHBondContact O-N 3.2Å; G209-R213 PolarHBondContact O-NH1 2.83Å; G209-R213 VanDerWaalsContact O-NH1 3.13Å
210F97.8Very high96.6Very high88 Ų8871.3 Ų71.339%0.38637%0.367SS..Hα-helixtrans-64.5-40.9179.8-74.6-49.2000111.4Y205 N208 R213 L214Y205-F210 HydrophobicContact CD1-CB 3.76Å; Y205-F210 HydrophobicContact CD2-CD2 4.4Å; Y205-F210 HydrophobicContact CE1-CB 4.11Å; Y205-F210 HydrophobicContact CG-CB 4Å; Y205-F210 PolarHBondContact O-N 3.24Å; N208-F210 HydrophobicContact CB-CD2 3.65Å; N208-F210 HydrophobicContact CB-CE2 3.6Å; N208-F210 HydrophobicContact CB-CG 4.17Å; N208-F210 HydrophobicContact CB-CZ 4.05Å; N208-F210 WeakPolarHBondContact ND2-CE2 3.31Å; N208-F210 PolarHBondContact O-N 3.37Å; F210-R213 PolarHBondContact O-N 3.35Å; F210-L214 WeakPolarHBondContact O-CG 3Å; F210-L214 PolarHBondContact O-N 2.71Å
211Y98.2Very high96.3Very high6 Ų673.3 Ų73.32%0.02437%0.372CS..Hα-helixtrans-60.7-48.7178.8-179.9-95.4000111.6G209 R213 L214 M215 L223 R224 M225 M229 W277 L292G209-Y211 VanDerWaalsContact C-N 3.35Å; Y211-R213 VanDerWaalsContact C-N 3.27Å; Y211-R213 PolarHBondContact O-N 2.93Å; Y211-L214 WeakPolarHBondContact O-CB 3.33Å; Y211-L214 PolarHBondContact O-N 3.46Å; Y211-L214 VanDerWaalsContact O-N 3.08Å; Y211-M215 HydrophobicContact CD1-CG 4.06Å; Y211-M215 HydrophobicContact CD2-CG 4.28Å; Y211-M215 HydrophobicContact CE1-CG 3.6Å; Y211-M215 HydrophobicContact CE2-CG 3.85Å; Y211-M215 HydrophobicContact CE2-SD 4.16Å; Y211-M215 HydrophobicContact CG-CG 4.38Å; Y211-M215 VanDerWaalsContact CZ-CG 3.48Å; Y211-M215 WeakPolarHBondContact O-CG 3.27Å; Y211-M215 PolarHBondContact O-N 2.76Å; Y211-L223 WeakPolarHBondContact CE1-O 3.2Å; Y211-L223 PolarHBondContact OH-O 2.83Å; Y211-R224 PolarHBondContact OH-O 3.14Å; Y211-M225 HydrophobicContact CD1-CB 3.61Å; Y211-M225 HydrophobicContact CD1-CG 4.04Å; Y211-M225 HydrophobicContact CD2-CB 3.98Å; Y211-M225 HydrophobicContact CD2-CG 3.55Å; Y211-M225 HydrophobicContact CD2-SD 4.3Å; Y211-M225 HydrophobicContact CE1-CB 3.72Å; Y211-M225 HydrophobicContact CE1-CG 4.39Å; Y211-M225 HydrophobicContact CE2-CB 4.08Å; Y211-M225 HydrophobicContact CE2-CG 3.94Å; Y211-M225 HydrophobicContact CG-CB 3.73Å; Y211-M225 HydrophobicContact CG-CG 3.59Å; Y211-M225 HydrophobicContact CG-SD 3.99Å; Y211-M225 VanDerWaalsContact CZ-CA 3.47Å; Y211-M229 HydrophobicContact CD2-CE 4.02Å; Y211-M229 HydrophobicContact CD2-SD 4.26Å; Y211-W277 HydrophobicContact CE2-CZ2 4.12Å; Y211-W277 AromaticContact CE2-NE1 3.99Å; Y211-W277 AromaticContact CZ-NE1 3.91Å; Y211-W277 PolarHBondContact OH-NE1 2.8Å; Y211-L292 HydrophobicContact CE2-CD1 4.49Å
212D97.3Very high96.2Very high112 Ų11278.7 Ų78.760%0.59940%0.4SS*.Hα-helixtrans-60.6-39179.3-59.9-30.4000111.4M215 Y216D212-M215 PolarHBondContact O-N 2.95Å; D212-Y216 WeakPolarHBondContact O-CB 3.4Å; D212-Y216 PolarHBondContact O-N 3.01Å
213R97.3Very high96.1Very high144 Ų14479.4 Ų79.454%0.54340%0.402SS..Hα-helixtrans-62.8-43.4173.8-75.3-168.7-68.9-79.110.2112.7N208 G209 F210 Y211 M215 Y216N208-R213 VanDerWaalsContact O-CZ 3.25Å; N208-R213 PolarHBondContact O-NH1 3.05Å; N208-R213 PolarHBondContact O-NH2 3.36Å; G209-R213 WeakPolarHBondContact O-CG 3.35Å; G209-R213 PolarHBondContact O-N 3.2Å; G209-R213 PolarHBondContact O-NH1 2.83Å; G209-R213 VanDerWaalsContact O-NH1 3.13Å; F210-R213 PolarHBondContact O-N 3.35Å; Y211-R213 VanDerWaalsContact C-N 3.27Å; Y211-R213 PolarHBondContact O-N 2.93Å; R213-M215 VanDerWaalsContact C-N 3.29Å; R213-M215 PolarHBondContact O-N 2.96Å; R213-Y216 PolarHBondContact O-N 3.36Å
214L97.7Very high96.1Very high49 Ų4988.1 Ų88.126%0.25742%0.422SS..Hα-helixtrans-64.5-34.9177.6-72.6169.1000112Y205 F210 Y211 L292 G293 L296Y205-L214 HydrophobicContact CD1-CD1 4.3Å; Y205-L214 HydrophobicContact CE1-CD1 3.65Å; F210-L214 WeakPolarHBondContact O-CG 3Å; F210-L214 PolarHBondContact O-N 2.71Å; Y211-L214 WeakPolarHBondContact O-CB 3.33Å; Y211-L214 PolarHBondContact O-N 3.46Å; Y211-L214 VanDerWaalsContact O-N 3.08Å; L214-L292 HydrophobicContact CB-CB 4.27Å; L214-L292 HydrophobicContact CD1-CB 4.23Å; L214-L292 HydrophobicContact CD1-CD1 4.33Å; L214-G293 WeakPolarHBondContact O-CA 3.33Å; L214-G293 PolarHBondContact O-N 3.46Å; L214-L296 VanDerWaalsContact O-CD1 3.3Å; L214-L296 WeakPolarHBondContact O-CD1 3.33Å
215M97.6Very high96.1Very high1 Ų188.5 Ų88.51%0.00542%0.417CS..Hα-helixtrans-87.9-17.2-177.5-61.4-56.9-67.300113.7Y211 D212 R213 Q217 S218 K220 R221 L223 L281 L292 L296Y211-M215 HydrophobicContact CD1-CG 4.06Å; Y211-M215 HydrophobicContact CD2-CG 4.28Å; Y211-M215 HydrophobicContact CE1-CG 3.6Å; Y211-M215 HydrophobicContact CE2-CG 3.85Å; Y211-M215 HydrophobicContact CE2-SD 4.16Å; Y211-M215 HydrophobicContact CG-CG 4.38Å; Y211-M215 VanDerWaalsContact CZ-CG 3.48Å; Y211-M215 WeakPolarHBondContact O-CG 3.27Å; Y211-M215 PolarHBondContact O-N 2.76Å; D212-M215 PolarHBondContact O-N 2.95Å; R213-M215 VanDerWaalsContact C-N 3.29Å; R213-M215 PolarHBondContact O-N 2.96Å; M215-Q217 VanDerWaalsContact C-N 3.34Å; M215-Q217 PolarHBondContact O-N 2.82Å; M215-S218 WeakPolarHBondContact O-CB 3.45Å; M215-S218 PolarHBondContact O-N 3.15Å; M215-S218 PolarHBondContact O-OG 2.95Å; M215-K220 HydrophobicContact CE-CB 3.73Å; M215-K220 VanDerWaalsContact CE-O 3.24Å; M215-K220 WeakPolarHBondContact CE-O 3.11Å; M215-R221 WeakPolarHBondContact O-CA 3.33Å; M215-R221 WeakPolarHBondContact O-CB 3.4Å; M215-L223 HydrophobicContact CE-CB 4.22Å; M215-L223 HydrophobicContact CE-CD2 4.34Å; M215-L281 HydrophobicContact CE-CD2 4.16Å; M215-L292 HydrophobicContact SD-CD2 4.26Å; M215-L296 HydrophobicContact CE-CD1 4.11Å; M215-L296 HydrophobicContact SD-CD1 3.47Å; M215-L296 WeakPolarHBondContact SD-CD1 3.45Å; M215-L296 HydrophobicContact SD-CD2 4.46Å
216Y95Very high96.1Very high175 Ų17588 Ų8869%0.68642%0.416SS*.THydrogen-bonded Turntrans-51.2-44.3-169-178.4-108.2000114.8D212 R213D212-Y216 WeakPolarHBondContact O-CB 3.4Å; D212-Y216 PolarHBondContact O-N 3.01Å; R213-Y216 PolarHBondContact O-N 3.36Å
217Q91Very high96.2Very high145 Ų14582.3 Ų82.368%0.67840%0.396SS*.THydrogen-bonded Turntrans-88.7-1.3-178.1-62.2-173.6-4.300113.6M215 N297M215-Q217 VanDerWaalsContact C-N 3.34Å; M215-Q217 PolarHBondContact O-N 2.82Å; Q217-N297 PolarHBondContact O-ND2 3.2Å
218S93.3Very high96.2Very high7 Ų778 Ų785%0.04937%0.366CS..SBendtrans-87153.9-177.678.80000112M215 K220 R221M215-S218 WeakPolarHBondContact O-CB 3.45Å; M215-S218 PolarHBondContact O-N 3.15Å; M215-S218 PolarHBondContact O-OG 2.95Å; S218-K220 PolarHBondContact O-N 3.26Å; S218-K220 VanDerWaalsContact O-N 3.08Å; S218-K220 VanDerWaalsContact OG-C 3.3Å; S218-K220 PolarHBondContact OG-N 3.05Å; S218-K220 VanDerWaalsContact OG-N 3.14Å; S218-R221 PolarHBondContact O-N 2.85Å; S218-R221 PolarHBondContact OG-N 3.32Å
219S90.3Very high96.3Very high97 Ų9774 Ų7468%0.67835%0.345SS*.THydrogen-bonded Turntrans-62.6-8.7166.2600000113.5N297S219-N297 PolarHBondContact N-OD1 3.45Å
220K92.6Very high96.3Very high75 Ų7573.6 Ų73.633%0.32634%0.338SS..THydrogen-bonded Turntrans-10922.7-179-53.2-65.5-175.5161.30112M215 S218 D222 L223 Q280M215-K220 HydrophobicContact CE-CB 3.73Å; M215-K220 VanDerWaalsContact CE-O 3.24Å; M215-K220 WeakPolarHBondContact CE-O 3.11Å; S218-K220 PolarHBondContact O-N 3.26Å; S218-K220 VanDerWaalsContact O-N 3.08Å; S218-K220 VanDerWaalsContact OG-C 3.3Å; S218-K220 PolarHBondContact OG-N 3.05Å; S218-K220 VanDerWaalsContact OG-N 3.14Å; K220-D222 PolarHBondContact O-N 3.25Å; K220-L223 HydrophobicContact CB-CB 4.24Å; K220-L223 WeakPolarHBondContact O-CB 2.98Å; K220-L223 PolarHBondContact O-N 3.38Å; K220-Q280 VanDerWaalsContact CE-O 3.28Å; K220-Q280 WeakPolarHBondContact CE-O 3.44Å; K220-Q280 PolarHBondContact NZ-O 3.45Å
221R93.7Very high96.3Very high163 Ų16373.1 Ų73.162%0.61534%0.337SS*.THydrogen-bonded Turntrans-54-28-175.968-177.6178.9-134.3-2.1115.1M215 S218M215-R221 WeakPolarHBondContact O-CA 3.33Å; M215-R221 WeakPolarHBondContact O-CB 3.4Å; S218-R221 PolarHBondContact O-N 2.85Å; S218-R221 PolarHBondContact OG-N 3.32Å
222D95.1Very high96.2Very high135 Ų13574.9 Ų74.972%0.72234%0.344SS*.THydrogen-bonded Turntrans-91-1.1-179.5-56.3-51000113K220 R224K220-D222 PolarHBondContact O-N 3.25Å; D222-R224 PolarHBondContact O-N 2.91Å
223L97.4Very high96.1Very high21 Ų2176.1 Ų76.111%0.1135%0.346CS..PPolyproline II helixtrans-68.5116.5176.8179.761000109.4Y211 M215 K220 W277 Q280 L281Y211-L223 WeakPolarHBondContact CE1-O 3.2Å; Y211-L223 PolarHBondContact OH-O 2.83Å; M215-L223 HydrophobicContact CE-CB 4.22Å; M215-L223 HydrophobicContact CE-CD2 4.34Å; K220-L223 HydrophobicContact CB-CB 4.24Å; K220-L223 WeakPolarHBondContact O-CB 2.98Å; K220-L223 PolarHBondContact O-N 3.38Å; L223-W277 HydrophobicContact CD2-CG 4.46Å; L223-Q280 HydrophobicContact CD1-CB 3.98Å; L223-Q280 HydrophobicContact CD1-CG 4.44Å; L223-Q280 HydrophobicContact CD2-CB 4.13Å; L223-L281 HydrophobicContact CD2-CD2 3.65Å; L223-L281 HydrophobicContact CD2-CG 4.18Å
224R97.3Very high96Very high224 Ų22476 Ų7685%0.84536%0.356SS*.PPolyproline II helixtrans-64.1142.9-178.3-64.9-177.5-179.6176.20.5111.7Y211 D222Y211-R224 PolarHBondContact OH-O 3.14Å; D222-R224 PolarHBondContact O-N 2.91Å
225M98.2Very high96Very high50 Ų5076.7 Ų76.725%0.24636%0.359CS..PPolyproline II helixtrans-58.9136.2176.9-167.4-176.869.500111.2A202 K206 Y211 M229A202-M225 HydrophobicContact CB-CE 4.07Å; A202-M225 WeakPolarHBondContact O-CE 2.93Å; K206-M225 HydrophobicContact CB-CE 3.78Å; K206-M225 HydrophobicContact CB-SD 4.38Å; K206-M225 HydrophobicContact CD-CE 4.44Å; K206-M225 HydrophobicContact CG-CE 4.45Å; Y211-M225 HydrophobicContact CD1-CB 3.61Å; Y211-M225 HydrophobicContact CD1-CG 4.04Å; Y211-M225 HydrophobicContact CD2-CB 3.98Å; Y211-M225 HydrophobicContact CD2-CG 3.55Å; Y211-M225 HydrophobicContact CD2-SD 4.3Å; Y211-M225 HydrophobicContact CE1-CB 3.72Å; Y211-M225 HydrophobicContact CE1-CG 4.39Å; Y211-M225 HydrophobicContact CE2-CB 4.08Å; Y211-M225 HydrophobicContact CE2-CG 3.94Å; Y211-M225 HydrophobicContact CG-CB 3.73Å; Y211-M225 HydrophobicContact CG-CG 3.59Å; Y211-M225 HydrophobicContact CG-SD 3.99Å; Y211-M225 VanDerWaalsContact CZ-CA 3.47Å; M225-M229 HydrophobicContact CG-CG 4.13Å; M225-M229 HydrophobicContact CG-SD 4.01Å; M225-M229 HydrophobicContact SD-CG 4.14Å
226P98.7Very high96Very high6 Ų676.9 Ų76.94%0.03936%0.361CS..PPolyproline II helixtrans-71.5163.7175.132.3-37.1000111.4L228 M229 T274 W277P226-L228 VanDerWaalsContact C-N 3.25Å; P226-L228 WeakPolarHBondContact CG-O 3.31Å; P226-L228 PolarHBondContact O-N 3.37Å; P226-M229 HydrophobicContact CG-SD 3.63Å; P226-T274 HydrophobicContact CB-CG2 3.88Å; P226-T274 HydrophobicContact CG-CG2 4.29Å; P226-W277 HydrophobicContact CB-CB 3.91Å; P226-W277 HydrophobicContact CB-CD2 4.02Å; P226-W277 HydrophobicContact CB-CE3 4.27Å; P226-W277 HydrophobicContact CB-CG 3.86Å; P226-W277 HydrophobicContact CG-CB 4.46Å; P226-W277 HydrophobicContact CG-CD2 3.58Å; P226-W277 HydrophobicContact CG-CE3 3.79Å; P226-W277 HydrophobicContact CG-CG 3.87Å; P226-W277 HydrophobicContact CG-CH2 4.47Å; P226-W277 HydrophobicContact CG-CZ2 4.28Å; P226-W277 HydrophobicContact CG-CZ3 4.25Å
227P98.8Very high96.2Very high42 Ų4270.5 Ų70.527%0.27334%0.336SS..SBendtrans-70.7-18.5178.629.5-37.2000114A202 Q269 L270 P273 T274A202-P227 WeakPolarHBondContact CB-O 3.38Å; P227-Q269 WeakPolarHBondContact CG-O 3.39Å; P227-L270 HydrophobicContact CB-CD2 3.95Å; P227-L270 WeakPolarHBondContact CG-O 3.26Å; P227-P273 HydrophobicContact CG-CB 4.03Å; P227-T274 WeakPolarHBondContact CD-OG1 3.42Å
228L98.9Very high96.6Very high0 Ų063.6 Ų63.60%030%0.304CS..  trans-118.6132.4175.8-57.5173.5000109.2L195 Q199 P226 F230 F244 L270 I271 T274L195-L228 HydrophobicContact CD2-CD1 3.73Å; L195-L228 HydrophobicContact CD2-CD2 4.23Å; Q199-L228 HydrophobicContact CG-CD2 3.75Å; P226-L228 VanDerWaalsContact C-N 3.25Å; P226-L228 WeakPolarHBondContact CG-O 3.31Å; P226-L228 PolarHBondContact O-N 3.37Å; L228-F230 HydrophobicContact CB-CE2 3.88Å; L228-F230 HydrophobicContact CB-CZ 3.97Å; L228-F230 HydrophobicContact CD1-CE2 4.48Å; L228-F230 HydrophobicContact CD1-CZ 4.24Å; L228-F244 WeakPolarHBondContact O-CE1 3.47Å; L228-L270 HydrophobicContact CD1-CB 4.01Å; L228-L270 HydrophobicContact CD2-CB 4.17Å; L228-L270 HydrophobicContact CG-CB 4.06Å; L228-I271 HydrophobicContact CD1-CG1 4.49Å; L228-T274 HydrophobicContact CB-CG2 4.19Å
229M98.7Very high96.8Very high0 Ų063.3 Ų63.30%030%0.301CS..  trans-124.9138.1171.4-70.1-66.8-65.300109.6G198 T201 A202 Y205 Y211 M225 P226 F244 L292G198-M229 WeakPolarHBondContact CA-O 3.47Å; G198-M229 PolarHBondContact O-N 3.26Å; T201-M229 WeakPolarHBondContact CB-O 3.44Å; T201-M229 HydrophobicContact CG2-CB 3.82Å; T201-M229 WeakPolarHBondContact CG2-O 3.44Å; A202-M229 HydrophobicContact CB-CB 4.04Å; A202-M229 HydrophobicContact CB-CG 3.77Å; Y205-M229 HydrophobicContact CD1-CE 3.71Å; Y205-M229 HydrophobicContact CE1-CE 3.89Å; Y205-M229 HydrophobicContact CG-CE 4.44Å; Y211-M229 HydrophobicContact CD2-CE 4.02Å; Y211-M229 HydrophobicContact CD2-SD 4.26Å; M225-M229 HydrophobicContact CG-CG 4.13Å; M225-M229 HydrophobicContact CG-SD 4.01Å; M225-M229 HydrophobicContact SD-CG 4.14Å; P226-M229 HydrophobicContact CG-SD 3.63Å; M229-F244 HydrophobicContact CE-CZ 4.24Å; M229-F244 HydrophobicContact SD-CE1 4.43Å; M229-F244 HydrophobicContact SD-CZ 3.98Å; M229-L292 HydrophobicContact CE-CD1 3.83Å
230F98.5Very high97.2Very high6 Ų658.8 Ų58.83%0.02627%0.27CS..  trans-127.7145.2177.5-55.1-74.8000109.9D159 I194 L228 C236 F244 I247D159-F230 HydrophobicContact CB-CD1 3.96Å; D159-F230 HydrophobicContact CB-CE1 4.28Å; I194-F230 HydrophobicContact CG2-CE1 3.86Å; I194-F230 HydrophobicContact CG2-CZ 4.06Å; L228-F230 HydrophobicContact CB-CE2 3.88Å; L228-F230 HydrophobicContact CB-CZ 3.97Å; L228-F230 HydrophobicContact CD1-CE2 4.48Å; L228-F230 HydrophobicContact CD1-CZ 4.24Å; F230-C236 PolarHBondContact O-SG 3.42Å; F230-C236 VanDerWaalsContact O-SG 3.4Å; F230-F244 HydrophobicContact CB-CE2 4.47Å; F230-F244 HydrophobicContact CB-CZ 4.37Å; F230-F244 AromaticContact CD2-CD1 3.66Å; F230-F244 HydrophobicContact CD2-CD1 3.66Å; F230-F244 AromaticContact CD2-CE1 3.69Å; F230-F244 HydrophobicContact CD2-CE1 3.69Å; F230-F244 HydrophobicContact CD2-CG 4.26Å; F230-F244 HydrophobicContact CD2-CZ 4.29Å; F230-F244 HydrophobicContact CE2-CD1 4.25Å; F230-F244 HydrophobicContact CE2-CE1 4.39Å; F230-F244 VanDerWaalsContact N-CZ 3.28Å; F230-I247 HydrophobicContact CB-CD1 3.66Å; F230-I247 HydrophobicContact CD1-CD1 3.81Å; F230-I247 HydrophobicContact CD2-CD1 3.74Å; F230-I247 HydrophobicContact CD2-CG2 4.31Å; F230-I247 HydrophobicContact CE1-CD1 4.39Å; F230-I247 HydrophobicContact CE1-CG2 4.17Å; F230-I247 HydrophobicContact CE2-CB 4.49Å; F230-I247 HydrophobicContact CE2-CD1 4.34Å; F230-I247 HydrophobicContact CE2-CG2 3.82Å; F230-I247 HydrophobicContact CG-CD1 3.44Å; F230-I247 VanDerWaalsContact CG-CD1 3.44Å; F230-I247 HydrophobicContact CZ-CG2 3.74Å
231E96.8Very high97.5Very high78 Ų7855.2 Ų55.236%0.36426%0.255SS..  trans-140.9152.3176.367.5-173.2-178.600110.5T201 Y205 I235T201-E231 HydrophobicContact CG2-CG 4.48Å; Y205-E231 VanDerWaalsContact CE2-OE2 3.27Å; Y205-E231 WeakPolarHBondContact CE2-OE2 3.32Å; Y205-E231 VanDerWaalsContact CZ-OE2 3.29Å; Y205-E231 PolarHBondContact OH-OE2 2.98Å; E231-I235 WeakPolarHBondContact CA-O 3.49Å
232W97.2Very high97.6Very high43 Ų4348.7 Ų48.716%0.16323%0.231CC..BIsolated β-bridgetrans-138.3122.4171-178.474.6000108.1E160 Y163 D234 I235 Y237 H242E160-W232 HydrophobicContact CG-CB 3.97Å; E160-W232 HydrophobicContact CG-CG 3.82Å; Y163-W232 AromaticContact CD2-CE2 3.97Å; Y163-W232 AromaticContact CD2-CZ2 3.8Å; Y163-W232 HydrophobicContact CD2-CZ2 3.8Å; Y163-W232 AromaticContact CD2-NE1 3.82Å; Y163-W232 HydrophobicContact CE2-CH2 4.28Å; Y163-W232 AromaticContact CE2-CZ2 3.55Å; Y163-W232 HydrophobicContact CE2-CZ2 3.55Å; W232-D234 VanDerWaalsContact C-N 3.35Å; W232-D234 PolarHBondContact O-N 3.44Å; W232-I235 PolarHBondContact N-O 2.99Å; W232-I235 PolarHBondContact O-N 3.11Å; W232-Y237 HydrophobicContact CB-CD2 4.3Å; W232-Y237 HydrophobicContact CB-CE2 4.5Å; W232-Y237 HydrophobicContact CE3-CD2 4.25Å; W232-Y237 AromaticContact CE3-CE2 3.63Å; W232-Y237 HydrophobicContact CE3-CE2 3.63Å; W232-Y237 HydrophobicContact CZ3-CE2 4.32Å; W232-Y237 WeakPolarHBondContact O-CE2 3.36Å; W232-H242 HydrophobicContact CB-CB 4.49Å; W232-H242 HydrophobicContact CD2-CB 4.44Å; W232-H242 AromaticContact CD2-ND1 3.74Å; W232-H242 HydrophobicContact CE3-CB 4.09Å; W232-H242 AromaticContact CE3-CD2 3.98Å; W232-H242 AromaticContact CE3-CE1 3.96Å; W232-H242 AromaticContact CE3-CG 3.65Å; W232-H242 AromaticContact CE3-ND1 3.67Å; W232-H242 AromaticContact CH2-CE1 3.7Å; W232-H242 AromaticContact CH2-NE2 3.96Å; W232-H242 AromaticContact CZ2-CE1 3.93Å; W232-H242 AromaticContact CZ3-CD2 3.86Å; W232-H242 AromaticContact CZ3-CE1 3.72Å; W232-H242 AromaticContact CZ3-CG 3.98Å; W232-H242 AromaticContact CZ3-ND1 3.92Å; W232-H242 AromaticContact CZ3-NE2 3.73Å
233H94.4Very high97.8Very high137 Ų13742.3 Ų42.363%0.63420%0.197SC*.THydrogen-bonded Turntrans46.355.7-168.9-67.4-64.9000112.6I235H233-I235 PolarHBondContact O-N 3.06Å
234D95.1Very high97.8Very high143 Ų14341.3 Ų41.377%0.76519%0.192SC*.THydrogen-bonded Turntrans61.815.8176.2-47.2-54.1000115W232W232-D234 VanDerWaalsContact C-N 3.35Å; W232-D234 PolarHBondContact O-N 3.44Å
235I97.7Very high97.9Very high63 Ų6330.6 Ų30.632%0.32315%0.151SC..BIsolated β-bridgetrans-122125.5179.8-61.6164.8000110.3E231 W232 H233 Y237E231-I235 WeakPolarHBondContact CA-O 3.49Å; W232-I235 PolarHBondContact N-O 2.99Å; W232-I235 PolarHBondContact O-N 3.11Å; H233-I235 PolarHBondContact O-N 3.06Å; I235-Y237 HydrophobicContact CB-CD2 3.96Å; I235-Y237 HydrophobicContact CB-CE1 4.48Å; I235-Y237 HydrophobicContact CB-CE2 3.46Å; I235-Y237 VanDerWaalsContact CB-CE2 3.46Å; I235-Y237 HydrophobicContact CD1-CE2 4.19Å; I235-Y237 WeakPolarHBondContact CD1-OH 3.34Å; I235-Y237 HydrophobicContact CG1-CE2 4.41Å; I235-Y237 HydrophobicContact CG2-CD1 3.88Å; I235-Y237 HydrophobicContact CG2-CD2 3.73Å; I235-Y237 HydrophobicContact CG2-CE1 3.7Å; I235-Y237 HydrophobicContact CG2-CE2 3.5Å; I235-Y237 VanDerWaalsContact CG2-CE2 3.5Å; I235-Y237 HydrophobicContact CG2-CG 3.93Å; I235-Y237 WeakPolarHBondContact O-CD2 3.45Å; I235-Y237 PolarHBondContact O-N 3.41Å; I235-Y237 VanDerWaalsContact O-N 3.08Å
236C98.2Very high98Very high5 Ų528.2 Ų28.23%0.03414%0.14CC..  trans-79.478.4170.2-65.70000111.1Y205 F230 F244 S291 L292Y205-C236 VanDerWaalsContact CE1-SG 3.59Å; Y205-C236 PolarHBondContact OH-SG 3.17Å; F230-C236 PolarHBondContact O-SG 3.42Å; F230-C236 VanDerWaalsContact O-SG 3.4Å; C236-F244 HydrophobicContact CB-CE2 4.19Å; C236-S291 CarbonylContact O-C 3.5Å; C236-S291 WeakPolarHBondContact O-CA 3.44Å; C236-S291 WeakPolarHBondContact O-CB 3.11Å; C236-L292 HydrophobicContact CB-CB 4Å; C236-L292 HydrophobicContact CB-CD1 3.7Å; C236-L292 HydrophobicContact CB-CG 3.75Å; C236-L292 PolarHBondContact O-N 3.42Å
237Y98.7Very high98Very high40 Ų4028 Ų2816%0.15714%0.138CC..BIsolated β-bridgetrans-67.5145.5175.6-68.5-76.4000112W232 I235 H242 G243 F244 H306W232-Y237 HydrophobicContact CB-CD2 4.3Å; W232-Y237 HydrophobicContact CB-CE2 4.5Å; W232-Y237 HydrophobicContact CE3-CD2 4.25Å; W232-Y237 AromaticContact CE3-CE2 3.63Å; W232-Y237 HydrophobicContact CE3-CE2 3.63Å; W232-Y237 HydrophobicContact CZ3-CE2 4.32Å; W232-Y237 WeakPolarHBondContact O-CE2 3.36Å; I235-Y237 HydrophobicContact CB-CD2 3.96Å; I235-Y237 HydrophobicContact CB-CE1 4.48Å; I235-Y237 HydrophobicContact CB-CE2 3.46Å; I235-Y237 VanDerWaalsContact CB-CE2 3.46Å; I235-Y237 HydrophobicContact CD1-CE2 4.19Å; I235-Y237 WeakPolarHBondContact CD1-OH 3.34Å; I235-Y237 HydrophobicContact CG1-CE2 4.41Å; I235-Y237 HydrophobicContact CG2-CD1 3.88Å; I235-Y237 HydrophobicContact CG2-CD2 3.73Å; I235-Y237 HydrophobicContact CG2-CE1 3.7Å; I235-Y237 HydrophobicContact CG2-CE2 3.5Å; I235-Y237 VanDerWaalsContact CG2-CE2 3.5Å; I235-Y237 HydrophobicContact CG2-CG 3.93Å; I235-Y237 WeakPolarHBondContact O-CD2 3.45Å; I235-Y237 PolarHBondContact O-N 3.41Å; I235-Y237 VanDerWaalsContact O-N 3.08Å; Y237-H242 HydrophobicContact CD2-CB 3.6Å; Y237-H242 HydrophobicContact CE2-CB 4.27Å; Y237-H242 HydrophobicContact CG-CB 3.81Å; Y237-G243 CarbonylContact O-C 3.51Å; Y237-G243 WeakPolarHBondContact O-CA 3.24Å; Y237-F244 WeakPolarHBondContact O-CD2 3.32Å; Y237-F244 PolarHBondContact O-N 3.18Å; Y237-F244 VanDerWaalsContact O-N 3.12Å; Y237-H306 AromaticContact CD1-CE1 3.4Å; Y237-H306 WeakPolarHBondContact CD1-CE1 3.31Å; Y237-H306 AromaticContact CD1-ND1 3.71Å; Y237-H306 AromaticContact CE1-CE1 3.58Å
238L98.7Very high98Very high1 Ų126 Ų261%0.00513%0.125CC..  trans-101.6-25.8-179-58.7-176000114F244 A245 W277 M278 L281 P289 S290 L292L238-F244 HydrophobicContact CD2-CD2 3.89Å; L238-F244 HydrophobicContact CD2-CE2 4.38Å; L238-A245 WeakPolarHBondContact O-CB 3.46Å; L238-A245 PolarHBondContact O-N 3.17Å; L238-W277 HydrophobicContact CD2-CH2 4Å; L238-W277 HydrophobicContact CD2-CZ3 4.33Å; L238-M278 HydrophobicContact CB-CE 4.14Å; L238-M278 HydrophobicContact CB-SD 4.43Å; L238-M278 HydrophobicContact CD2-SD 3.83Å; L238-M278 WeakPolarHBondContact O-CE 3.43Å; L238-L281 HydrophobicContact CD1-CD1 3.78Å; L238-L281 HydrophobicContact CD2-CD1 3.93Å; L238-P289 HydrophobicContact CD1-CB 3.9Å; L238-P289 HydrophobicContact CD1-CG 4.25Å; L238-S290 PolarHBondContact N-O 3.28Å; L238-L292 HydrophobicContact CD2-CD2 3.96Å; L238-L292 HydrophobicContact CD2-CG 4.28Å
239G98.4Very high98Very high0 Ų026.1 Ų26.10%013%0.126CC..SBendtrans-78.3-173.5-173.900000115G243 C305G239-G243 CarbonylContact O-C 3.27Å; G239-G243 VanDerWaalsContact O-C 3.25Å; G239-G243 WeakPolarHBondContact O-CA 3.36Å; G239-G243 PolarHBondContact O-N 3.24Å; G239-G243 VanDerWaalsContact O-N 3.11Å; G239-C305 VanDerWaalsContact CA-O 3.32Å; G239-C305 WeakPolarHBondContact CA-O 3.3Å
240A98.6Very high98Very high2 Ų226.1 Ų26.12%0.01713%0.126CC..THydrogen-bonded Turntrans-78-26-166.400000115G246 W304 L426A240-G246 WeakPolarHBondContact O-CA 3.5Å; A240-W304 HydrophobicContact CB-CD2 3.89Å; A240-W304 HydrophobicContact CB-CG 4.1Å; A240-W304 HydrophobicContact CB-CZ2 4.01Å; A240-W304 VanDerWaalsContact CB-O 3.27Å; A240-W304 WeakPolarHBondContact CB-O 3.33Å; A240-W304 PolarHBondContact N-O 3.04Å; A240-L426 HydrophobicContact CB-CD2 3.96Å
241A98Very high98Very high1 Ų125.9 Ų25.91%0.00813%0.125CC..THydrogen-bonded Turntrans-73-60.5-177.100000112.1E160 A161 L162 W304 C305E160-A241 VanDerWaalsContact OE2-O 3.11Å; A161-A241 WeakPolarHBondContact CB-O 3.38Å; A161-A241 PolarHBondContact N-O 3.46Å; A161-A241 VanDerWaalsContact N-O 3.09Å; L162-A241 HydrophobicContact CD1-CB 4.07Å; L162-A241 HydrophobicContact CD2-CB 4.45Å; L162-A241 HydrophobicContact CG-CB 4.07Å; A241-W304 HydrophobicContact CB-CE3 4.19Å; A241-W304 HydrophobicContact CB-CH2 4.16Å; A241-W304 HydrophobicContact CB-CZ3 3.58Å; A241-C305 HydrophobicContact CB-CB 3.67Å
242H97.5Very high98.1Very high25 Ų2522.1 Ų22.112%0.11611%0.107CC..THydrogen-bonded Turntrans-111.21.9-170.6-62.3-53.2000113.7E160 Y163 W232 Y237E160-H242 IonicContact OE2-CE1 2.77Å; E160-H242 IonicContact OE2-CG 3.2Å; E160-H242 IonicContact OE2-ND1 3.03Å; E160-H242 PolarHBondContact OE2-ND1 3.01Å; Y163-H242 AromaticContact CE2-CE1 3.93Å; W232-H242 HydrophobicContact CB-CB 4.49Å; W232-H242 HydrophobicContact CD2-CB 4.44Å; W232-H242 AromaticContact CD2-ND1 3.74Å; W232-H242 HydrophobicContact CE3-CB 4.09Å; W232-H242 AromaticContact CE3-CD2 3.98Å; W232-H242 AromaticContact CE3-CE1 3.96Å; W232-H242 AromaticContact CE3-CG 3.65Å; W232-H242 AromaticContact CE3-ND1 3.67Å; W232-H242 AromaticContact CH2-CE1 3.7Å; W232-H242 AromaticContact CH2-NE2 3.96Å; W232-H242 AromaticContact CZ2-CE1 3.93Å; W232-H242 AromaticContact CZ3-CD2 3.86Å; W232-H242 AromaticContact CZ3-CE1 3.72Å; W232-H242 AromaticContact CZ3-CG 3.98Å; W232-H242 AromaticContact CZ3-ND1 3.92Å; W232-H242 AromaticContact CZ3-NE2 3.73Å; Y237-H242 HydrophobicContact CD2-CB 3.6Å; Y237-H242 HydrophobicContact CE2-CB 4.27Å; Y237-H242 HydrophobicContact CG-CB 3.81Å
243G97.9Very high98.1Very high1 Ų120.3 Ų20.31%0.0110%0.101CC..SBendtrans-129.2-178.8-158.800000116Y237 G239 A245 G246 I247Y237-G243 CarbonylContact O-C 3.51Å; Y237-G243 WeakPolarHBondContact O-CA 3.24Å; G239-G243 CarbonylContact O-C 3.27Å; G239-G243 VanDerWaalsContact O-C 3.25Å; G239-G243 WeakPolarHBondContact O-CA 3.36Å; G239-G243 PolarHBondContact O-N 3.24Å; G239-G243 VanDerWaalsContact O-N 3.11Å; G243-A245 VanDerWaalsContact C-N 3.26Å; G243-A245 PolarHBondContact O-N 3.36Å; G243-G246 PolarHBondContact O-N 3.46Å; G243-I247 PolarHBondContact O-N 3.16Å
244F98.8Very high98.3Very high0 Ų013.8 Ų13.80%07%0.07CC..Hα-helixtrans-52.2-41.3-178-73.3-100.3000112.8L228 M229 F230 C236 Y237 L238 G246 I247 L248 T274 W277 M278L228-F244 WeakPolarHBondContact O-CE1 3.47Å; M229-F244 HydrophobicContact CE-CZ 4.24Å; M229-F244 HydrophobicContact SD-CE1 4.43Å; M229-F244 HydrophobicContact SD-CZ 3.98Å; F230-F244 HydrophobicContact CB-CE2 4.47Å; F230-F244 HydrophobicContact CB-CZ 4.37Å; F230-F244 AromaticContact CD2-CD1 3.66Å; F230-F244 HydrophobicContact CD2-CD1 3.66Å; F230-F244 AromaticContact CD2-CE1 3.69Å; F230-F244 HydrophobicContact CD2-CE1 3.69Å; F230-F244 HydrophobicContact CD2-CG 4.26Å; F230-F244 HydrophobicContact CD2-CZ 4.29Å; F230-F244 HydrophobicContact CE2-CD1 4.25Å; F230-F244 HydrophobicContact CE2-CE1 4.39Å; F230-F244 VanDerWaalsContact N-CZ 3.28Å; C236-F244 HydrophobicContact CB-CE2 4.19Å; Y237-F244 WeakPolarHBondContact O-CD2 3.32Å; Y237-F244 PolarHBondContact O-N 3.18Å; Y237-F244 VanDerWaalsContact O-N 3.12Å; L238-F244 HydrophobicContact CD2-CD2 3.89Å; L238-F244 HydrophobicContact CD2-CE2 4.38Å; F244-G246 VanDerWaalsContact C-N 3.32Å; F244-G246 PolarHBondContact O-N 3.35Å; F244-I247 PolarHBondContact O-N 3.22Å; F244-L248 HydrophobicContact CB-CD1 4.13Å; F244-L248 HydrophobicContact CD1-CD1 4.49Å; F244-L248 VanDerWaalsContact O-CB 3.3Å; F244-L248 WeakPolarHBondContact O-CB 3.4Å; F244-L248 VanDerWaalsContact O-CG 3.22Å; F244-L248 WeakPolarHBondContact O-CG 3.47Å; F244-L248 PolarHBondContact O-N 2.89Å; F244-T274 HydrophobicContact CD1-CG2 3.88Å; F244-T274 HydrophobicContact CE1-CG2 4.1Å; F244-W277 HydrophobicContact CD1-CE3 4.48Å; F244-W277 AromaticContact CD1-CZ3 3.71Å; F244-W277 HydrophobicContact CD1-CZ3 3.71Å; F244-W277 HydrophobicContact CD2-CH2 4.4Å; F244-W277 HydrophobicContact CD2-CZ3 4.17Å; F244-W277 HydrophobicContact CE1-CH2 4.17Å; F244-W277 AromaticContact CE1-CZ3 3.7Å; F244-W277 HydrophobicContact CE1-CZ3 3.7Å; F244-W277 HydrophobicContact CE2-CH2 4.11Å; F244-W277 HydrophobicContact CE2-CZ3 4.22Å; F244-W277 AromaticContact CG-CZ3 3.96Å; F244-W277 HydrophobicContact CG-CZ3 3.96Å; F244-W277 AromaticContact CZ-CH2 3.97Å; F244-W277 HydrophobicContact CZ-CH2 3.97Å; F244-W277 AromaticContact CZ-CZ3 3.97Å; F244-W277 HydrophobicContact CZ-CZ3 3.97Å; F244-M278 HydrophobicContact CB-CE 3.99Å; F244-M278 HydrophobicContact CB-CG 4.02Å; F244-M278 HydrophobicContact CB-SD 3.51Å; F244-M278 VanDerWaalsContact CB-SD 3.51Å; F244-M278 HydrophobicContact CG-SD 4.08Å
245A98.9Very high98.5Very high0 Ų010.5 Ų10.50%05%0.048CC..Hα-helixtrans-59.8-42.9-176.900000112.5L238 G243 T249 M278 G310 V311 L314L238-A245 WeakPolarHBondContact O-CB 3.46Å; L238-A245 PolarHBondContact O-N 3.17Å; G243-A245 VanDerWaalsContact C-N 3.26Å; G243-A245 PolarHBondContact O-N 3.36Å; A245-T249 WeakPolarHBondContact O-CB 3.13Å; A245-T249 PolarHBondContact O-N 3.28Å; A245-T249 PolarHBondContact O-OG1 3.37Å; A245-M278 HydrophobicContact CB-CE 4.22Å; A245-G310 WeakPolarHBondContact CB-O 3.2Å; A245-V311 HydrophobicContact CB-CB 4.49Å; A245-V311 HydrophobicContact CB-CG2 3.98Å; A245-L314 HydrophobicContact CB-CD2 4.47Å
246G98.8Very high98.5Very high0 Ų014.5 Ų14.50%06%0.059CC..Hα-helixtrans-68-47.8179.600000111.6A240 G243 F244 L248 T249 T250A240-G246 WeakPolarHBondContact O-CA 3.5Å; G243-G246 PolarHBondContact O-N 3.46Å; F244-G246 VanDerWaalsContact C-N 3.32Å; F244-G246 PolarHBondContact O-N 3.35Å; G246-L248 PolarHBondContact O-N 3.07Å; G246-T249 PolarHBondContact O-N 3.27Å; G246-T250 PolarHBondContact O-N 3.1Å; G246-T250 PolarHBondContact O-OG1 2.67Å
247I98.9Very high98.4Very high1 Ų116.5 Ų16.51%0.0057%0.069CC..Hα-helixtrans-58.5-52.9179.5-60.8168.6000110.5D159 E160 T166 I194 F230 G243 F244 T250 L251D159-I247 HydrophobicContact CB-CD1 4.18Å; E160-I247 HydrophobicContact CB-CD1 4.48Å; T166-I247 WeakPolarHBondContact OG1-CG1 3.25Å; I194-I247 HydrophobicContact CG2-CG2 3.87Å; F230-I247 HydrophobicContact CB-CD1 3.66Å; F230-I247 HydrophobicContact CD1-CD1 3.81Å; F230-I247 HydrophobicContact CD2-CD1 3.74Å; F230-I247 HydrophobicContact CD2-CG2 4.31Å; F230-I247 HydrophobicContact CE1-CD1 4.39Å; F230-I247 HydrophobicContact CE1-CG2 4.17Å; F230-I247 HydrophobicContact CE2-CB 4.49Å; F230-I247 HydrophobicContact CE2-CD1 4.34Å; F230-I247 HydrophobicContact CE2-CG2 3.82Å; F230-I247 HydrophobicContact CG-CD1 3.44Å; F230-I247 VanDerWaalsContact CG-CD1 3.44Å; F230-I247 HydrophobicContact CZ-CG2 3.74Å; G243-I247 PolarHBondContact O-N 3.16Å; F244-I247 PolarHBondContact O-N 3.22Å; I247-T250 PolarHBondContact O-N 2.65Å; I247-L251 HydrophobicContact CG2-CD1 4.04Å; I247-L251 HydrophobicContact CG2-CG 4.48Å; I247-L251 WeakPolarHBondContact O-CG 3.34Å; I247-L251 PolarHBondContact O-N 3.01Å
248L98.9Very high98.4Very high0 Ų014.6 Ų14.60%06%0.062CC..Hα-helixtrans-68.6-38.2-176-63.6167.9000111.8F244 G246 T250 L251 L252 I271 T274 V275 M278 L314F244-L248 HydrophobicContact CB-CD1 4.13Å; F244-L248 HydrophobicContact CD1-CD1 4.49Å; F244-L248 VanDerWaalsContact O-CB 3.3Å; F244-L248 WeakPolarHBondContact O-CB 3.4Å; F244-L248 VanDerWaalsContact O-CG 3.22Å; F244-L248 WeakPolarHBondContact O-CG 3.47Å; F244-L248 PolarHBondContact O-N 2.89Å; G246-L248 PolarHBondContact O-N 3.07Å; L248-T250 VanDerWaalsContact C-N 3.32Å; L248-T250 PolarHBondContact O-N 2.77Å; L248-L251 PolarHBondContact O-N 3.36Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 3.37Å; L248-I271 HydrophobicContact CD2-CG2 4.12Å; L248-T274 HydrophobicContact CD1-CG2 3.93Å; L248-T274 HydrophobicContact CD2-CG2 4.1Å; L248-V275 HydrophobicContact CB-CG2 4.17Å; L248-V275 HydrophobicContact CD1-CG2 4.06Å; L248-V275 HydrophobicContact CD2-CG2 4.28Å; L248-V275 HydrophobicContact CG-CG2 4.4Å; L248-M278 HydrophobicContact CD1-CG 3.85Å; L248-L314 HydrophobicContact CB-CD1 3.47Å; L248-L314 VanDerWaalsContact CB-CD1 3.47Å; L248-L314 HydrophobicContact CB-CD2 4.1Å; L248-L314 HydrophobicContact CB-CG 4.44Å; L248-L314 HydrophobicContact CD1-CD2 3.96Å
249T98.9Very high98.3Very high2 Ų218.9 Ų18.91%0.0129%0.089CC..Hα-helixtrans-60.4-45.7176.4-58.70000110.1A245 G246 L252 K253 P313 L314 L426A245-T249 WeakPolarHBondContact O-CB 3.13Å; A245-T249 PolarHBondContact O-N 3.28Å; A245-T249 PolarHBondContact O-OG1 3.37Å; G246-T249 PolarHBondContact O-N 3.27Å; T249-L252 PolarHBondContact O-N 2.55Å; T249-K253 WeakPolarHBondContact O-CB 2.99Å; T249-K253 PolarHBondContact O-N 2.86Å; T249-P313 HydrophobicContact CG2-CB 4.25Å; T249-L314 VanDerWaalsContact OG1-CA 3.29Å; T249-L314 WeakPolarHBondContact OG1-CA 3.46Å; T249-L314 WeakPolarHBondContact OG1-CB 3.36Å; T249-L314 PolarHBondContact OG1-N 2.97Å; T249-L426 HydrophobicContact CG2-CD1 4.4Å
250T98.9Very high98.2Very high1 Ų122 Ų221%0.00612%0.122CC..Hα-helixtrans-62.1-44.1175.9-59.30000111.9T166 L169 N170 G246 I247 L248 L252 K253 V254 L426T166-T250 HydrophobicContact CG2-CG2 4.08Å; T166-T250 VanDerWaalsContact CG2-OG1 3.3Å; T166-T250 WeakPolarHBondContact CG2-OG1 3.49Å; L169-T250 HydrophobicContact CB-CG2 3.53Å; L169-T250 HydrophobicContact CD1-CG2 4.2Å; N170-T250 VanDerWaalsContact OD1-CG2 3.27Å; N170-T250 WeakPolarHBondContact OD1-CG2 3.5Å; N170-T250 PolarHBondContact OD1-OG1 3.04Å; G246-T250 PolarHBondContact O-N 3.1Å; G246-T250 PolarHBondContact O-OG1 2.67Å; I247-T250 PolarHBondContact O-N 2.65Å; L248-T250 VanDerWaalsContact C-N 3.32Å; L248-T250 PolarHBondContact O-N 2.77Å; T250-L252 PolarHBondContact O-N 2.61Å; T250-K253 PolarHBondContact O-N 3.47Å; T250-V254 HydrophobicContact CG2-CG2 4.31Å; T250-V254 WeakPolarHBondContact O-CB 3.35Å; T250-V254 WeakPolarHBondContact O-CG2 3.42Å; T250-V254 PolarHBondContact O-N 3.48Å; T250-L426 WeakPolarHBondContact OG1-CD1 3.32Å
251L98.9Very high98.1Very high0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-62.4-41.7178.5-70.3175.3000112.3T191 I194 L195 I247 L248 K253 V254 Y255 I262 I271T191-L251 HydrophobicContact CG2-CD2 3.97Å; I194-L251 HydrophobicContact CG2-CD1 4.22Å; I194-L251 HydrophobicContact CG2-CD2 4.43Å; L195-L251 HydrophobicContact CD2-CD1 4.27Å; I247-L251 HydrophobicContact CG2-CD1 4.04Å; I247-L251 HydrophobicContact CG2-CG 4.48Å; I247-L251 WeakPolarHBondContact O-CG 3.34Å; I247-L251 PolarHBondContact O-N 3.01Å; L248-L251 PolarHBondContact O-N 3.36Å; L251-K253 VanDerWaalsContact C-N 3.34Å; L251-V254 PolarHBondContact O-N 2.98Å; L251-Y255 WeakPolarHBondContact O-CB 3.27Å; L251-Y255 PolarHBondContact O-N 3.02Å; L251-I262 HydrophobicContact CB-CD1 4.34Å; L251-I262 HydrophobicContact CD2-CD1 4.09Å; L251-I262 VanDerWaalsContact O-CD1 3.3Å; L251-I262 WeakPolarHBondContact O-CD1 3.42Å; L251-I271 HydrophobicContact CB-CD1 4.08Å; L251-I271 HydrophobicContact CB-CG2 4.44Å; L251-I271 HydrophobicContact CD1-CD1 4.34Å; L251-I271 HydrophobicContact CD1-CG1 4.21Å
252L98.8Very high98.2Very high0 Ų022.2 Ų22.20%012%0.122CC..Hα-helixtrans-63.8-40174.5-68.2-176000111.7L248 T249 T250 Y255 R256 L267 I271 L272 V275 L314 A318 I321L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 3.37Å; T249-L252 PolarHBondContact O-N 2.55Å; T250-L252 PolarHBondContact O-N 2.61Å; L252-Y255 PolarHBondContact O-N 3.48Å; L252-R256 PolarHBondContact O-N 3.04Å; L252-L267 HydrophobicContact CD2-CD1 3.84Å; L252-I271 HydrophobicContact CD2-CG2 3.69Å; L252-I271 HydrophobicContact CG-CG2 4.35Å; L252-L272 HydrophobicContact CD2-CD2 4.08Å; L252-V275 HydrophobicContact CD1-CG2 4.4Å; L252-L314 HydrophobicContact CD1-CD1 3.9Å; L252-A318 HydrophobicContact CD1-CB 4.15Å; L252-I321 HydrophobicContact CB-CD1 3.58Å; L252-I321 HydrophobicContact CD1-CD1 4.29Å; L252-I321 HydrophobicContact CD2-CD1 3.55Å; L252-I321 HydrophobicContact CG-CD1 3.95Å
253K98Very high98.2Very high5 Ų523.8 Ų23.82%0.02214%0.136CC..Hα-helixtrans-66.1-41.9175.8-168.5161.5-178-1710112.6V173 E177 T249 T250 L251 R256 L257 S427 L429V173-K253 HydrophobicContact CG1-CD 3.62Å; V173-K253 HydrophobicContact CG1-CG 3.86Å; V173-K253 HydrophobicContact CG2-CG 4.47Å; E177-K253 VanDerWaalsContact CD-CE 3.44Å; E177-K253 WeakPolarHBondContact OE1-CE 3.46Å; E177-K253 IonicContact OE1-NZ 3.31Å; E177-K253 PolarHBondContact OE1-NZ 3.22Å; E177-K253 WeakPolarHBondContact OE2-CE 3.46Å; E177-K253 IonicContact OE2-NZ 2.88Å; E177-K253 PolarHBondContact OE2-NZ 3.02Å; T249-K253 WeakPolarHBondContact O-CB 2.99Å; T249-K253 PolarHBondContact O-N 2.86Å; T250-K253 PolarHBondContact O-N 3.47Å; L251-K253 VanDerWaalsContact C-N 3.34Å; K253-R256 PolarHBondContact O-N 3.41Å; K253-L257 HydrophobicContact CD-CD1 4.46Å; K253-L257 HydrophobicContact CG-CD1 3.75Å; K253-L257 HydrophobicContact CG-CG 4.34Å; K253-L257 WeakPolarHBondContact O-CB 3.4Å; K253-L257 WeakPolarHBondContact O-CG 3.43Å; K253-L257 PolarHBondContact O-N 3.22Å; K253-S427 PolarHBondContact NZ-OG 2.91Å; K253-L429 HydrophobicContact CB-CD2 4.02Å; K253-L429 HydrophobicContact CG-CD2 4.05Å
254V98.5Very high98.2Very high0 Ų027.2 Ų27.20%016%0.16CC..Hα-helixtrans-62.7-45.5174.7166.40000111.4L169 V173 V187 T191 T250 L251 R256 L257 F258 S261 I262L169-V254 HydrophobicContact CB-CG2 4.4Å; L169-V254 HydrophobicContact CD1-CG2 4.34Å; L169-V254 HydrophobicContact CD2-CG2 4.43Å; V173-V254 HydrophobicContact CG2-CG2 3.72Å; V187-V254 HydrophobicContact CG1-CG1 3.37Å; V187-V254 HydrophobicContact CG1-CG2 4.39Å; T191-V254 HydrophobicContact CG2-CB 4.46Å; T191-V254 HydrophobicContact CG2-CG1 3.66Å; T250-V254 HydrophobicContact CG2-CG2 4.31Å; T250-V254 WeakPolarHBondContact O-CB 3.35Å; T250-V254 WeakPolarHBondContact O-CG2 3.42Å; T250-V254 PolarHBondContact O-N 3.48Å; L251-V254 PolarHBondContact O-N 2.98Å; V254-R256 PolarHBondContact O-N 3.2Å; V254-L257 PolarHBondContact O-N 2.75Å; V254-F258 HydrophobicContact CB-CD2 4.44Å; V254-F258 HydrophobicContact CG1-CB 4.47Å; V254-F258 HydrophobicContact CG1-CD2 4.14Å; V254-F258 HydrophobicContact CG2-CD2 4.41Å; V254-F258 WeakPolarHBondContact O-CB 3.49Å; V254-F258 PolarHBondContact O-N 3.44Å; V254-S261 WeakPolarHBondContact CG1-OG 3.3Å; V254-I262 HydrophobicContact CB-CD1 4.27Å; V254-I262 HydrophobicContact CG1-CD1 3.95Å; V254-I262 HydrophobicContact CG1-CG1 4.38Å
255Y98.4Very high98.2Very high74 Ų7433.4 Ų33.429%0.2919%0.189SC..Hα-helixtrans-53.8-42.1176.4172.3-100.2000112.1L251 L252 I262 L267 I321L251-Y255 WeakPolarHBondContact O-CB 3.27Å; L251-Y255 PolarHBondContact O-N 3.02Å; L252-Y255 PolarHBondContact O-N 3.48Å; Y255-I262 HydrophobicContact CD2-CB 4.09Å; Y255-I262 HydrophobicContact CD2-CG2 4.1Å; Y255-L267 HydrophobicContact CD1-CD2 3.92Å; Y255-L267 HydrophobicContact CD2-CB 4.44Å; Y255-L267 HydrophobicContact CD2-CD2 4.07Å; Y255-L267 HydrophobicContact CE1-CD2 3.52Å; Y255-L267 HydrophobicContact CE2-CB 4.38Å; Y255-L267 HydrophobicContact CE2-CD2 3.69Å; Y255-L267 HydrophobicContact CG-CD1 4.38Å; Y255-L267 HydrophobicContact CG-CD2 4.18Å; Y255-I321 HydrophobicContact CD1-CD1 4.25Å
256R97.3Very high98.1Very high146 Ų14634.3 Ų34.355%0.55120%0.195SC*.Hα-helixtrans-75.5-43.5179.4-169.4177.7-179103.1-4.9113.5L252 K253 V254 L429L252-R256 PolarHBondContact O-N 3.04Å; K253-R256 PolarHBondContact O-N 3.41Å; V254-R256 PolarHBondContact O-N 3.2Å; R256-L429 HydrophobicContact CB-CD2 3.76Å; R256-L429 HydrophobicContact CG-CD2 4.28Å
257L97Very high98.1Very high47 Ų4734.6 Ų34.625%0.24620%0.196CC..Hα-helixtrans-84.7-20.7-172.3-66.2-179.9000114V173 R176 E177 K253 V254V173-L257 HydrophobicContact CG1-CD1 3.85Å; R176-L257 HydrophobicContact CG-CB 4.42Å; E177-L257 HydrophobicContact CG-CD1 3.92Å; K253-L257 HydrophobicContact CD-CD1 4.46Å; K253-L257 HydrophobicContact CG-CD1 3.75Å; K253-L257 HydrophobicContact CG-CG 4.34Å; K253-L257 WeakPolarHBondContact O-CB 3.4Å; K253-L257 WeakPolarHBondContact O-CG 3.43Å; K253-L257 PolarHBondContact O-N 3.22Å; V254-L257 PolarHBondContact O-N 2.75Å
258F98Very high98.1Very high1 Ų138.6 Ų38.60%0.00422%0.218CC..SBendtrans-12773.5179.9-59.3-83.1000110.8V173 R176 I182 V187 V254 G260 S261V173-F258 HydrophobicContact CG2-CE2 4.04Å; R176-F258 HydrophobicContact CB-CE1 3.99Å; R176-F258 HydrophobicContact CB-CE2 4.19Å; R176-F258 HydrophobicContact CB-CZ 3.45Å; R176-F258 VanDerWaalsContact CB-CZ 3.45Å; R176-F258 HydrophobicContact CG-CE1 3.83Å; R176-F258 HydrophobicContact CG-CE2 4.26Å; R176-F258 HydrophobicContact CG-CZ 3.65Å; I182-F258 HydrophobicContact CB-CE1 3.88Å; I182-F258 HydrophobicContact CB-CZ 4.31Å; I182-F258 HydrophobicContact CG2-CE1 3.98Å; I182-F258 HydrophobicContact CG2-CZ 4.24Å; V187-F258 HydrophobicContact CB-CD1 4.49Å; V187-F258 HydrophobicContact CB-CG 4.39Å; V187-F258 HydrophobicContact CG1-CB 4.17Å; V187-F258 HydrophobicContact CG1-CD2 3.94Å; V187-F258 HydrophobicContact CG1-CE2 4.42Å; V187-F258 HydrophobicContact CG1-CG 3.97Å; V187-F258 HydrophobicContact CG2-CD1 3.87Å; V187-F258 HydrophobicContact CG2-CD2 4.34Å; V187-F258 HydrophobicContact CG2-CE1 3.8Å; V187-F258 HydrophobicContact CG2-CE2 4.27Å; V187-F258 HydrophobicContact CG2-CG 4.12Å; V187-F258 HydrophobicContact CG2-CZ 3.98Å; V254-F258 HydrophobicContact CB-CD2 4.44Å; V254-F258 HydrophobicContact CG1-CB 4.47Å; V254-F258 HydrophobicContact CG1-CD2 4.14Å; V254-F258 HydrophobicContact CG2-CD2 4.41Å; V254-F258 WeakPolarHBondContact O-CB 3.49Å; V254-F258 PolarHBondContact O-N 3.44Å; F258-G260 PolarHBondContact O-N 3.29Å; F258-S261 WeakPolarHBondContact CB-OG 3.38Å; F258-S261 VanDerWaalsContact O-CB 3.31Å; F258-S261 WeakPolarHBondContact O-CB 3.5Å; F258-S261 PolarHBondContact O-N 3.02Å; F258-S261 PolarHBondContact O-OG 3.18Å
259P96.2Very high98.1Very high90 Ų9043.9 Ų43.958%0.58424%0.242SC*.THydrogen-bonded Turntrans-51.2129176.2-26.334.7000111.5
260G96.3Very high98.1Very high66 Ų6644.6 Ų44.668%0.6825%0.246SC*.THydrogen-bonded Turntrans91.6-12.1-177.600000115.6F258F258-G260 PolarHBondContact O-N 3.29Å
261S98.1Very high98.1Very high2 Ų244.6 Ų44.61%0.01425%0.246CC..SBendtrans-72.8-30175.162.80000113.7S188 T191 V254 F258S188-S261 PolarHBondContact OG-O 3.13Å; T191-S261 PolarHBondContact OG1-O 2.73Å; V254-S261 WeakPolarHBondContact CG1-OG 3.3Å; F258-S261 WeakPolarHBondContact CB-OG 3.38Å; F258-S261 VanDerWaalsContact O-CB 3.31Å; F258-S261 WeakPolarHBondContact O-CB 3.5Å; F258-S261 PolarHBondContact O-N 3.02Å; F258-S261 PolarHBondContact O-OG 3.18Å
262I98.6Very high98.1Very high5 Ų545.5 Ų45.53%0.02625%0.251CS..SBendtrans-126.1123.1175.4-67.1171.8000107.4T191 L251 V254 Y255 L267 I271T191-I262 HydrophobicContact CG2-CD1 3.92Å; T191-I262 HydrophobicContact CG2-CG1 3.95Å; L251-I262 HydrophobicContact CB-CD1 4.34Å; L251-I262 HydrophobicContact CD2-CD1 4.09Å; L251-I262 VanDerWaalsContact O-CD1 3.3Å; L251-I262 WeakPolarHBondContact O-CD1 3.42Å; V254-I262 HydrophobicContact CB-CD1 4.27Å; V254-I262 HydrophobicContact CG1-CD1 3.95Å; V254-I262 HydrophobicContact CG1-CG1 4.38Å; Y255-I262 HydrophobicContact CD2-CB 4.09Å; Y255-I262 HydrophobicContact CD2-CG2 4.1Å; I262-L267 HydrophobicContact CG2-CB 4.42Å; I262-I271 HydrophobicContact CD1-CD1 4.07Å; I262-I271 HydrophobicContact CG2-CD1 3.72Å
263S97.9Very high98.1Very high58 Ų5847.8 Ų47.841%0.40627%0.266SS..  trans-67.6150.2177.980.30000111.7H265 S266 L267S263-H265 PolarHBondContact O-N 3Å; S263-H265 PolarHBondContact OG-N 2.91Å; S263-S266 PolarHBondContact O-N 3.08Å; S263-S266 VanDerWaalsContact O-N 3.1Å; S263-S266 PolarHBondContact OG-N 3.5Å; S263-S266 PolarHBondContact OG-OG 2.89Å; S263-L267 PolarHBondContact O-N 3.18Å
264S97.6Very high98.2Very high73 Ų7347.5 Ų47.551%0.5127%0.265SS..Hα-helixtrans-57.3-29.4171.9-53.20000112.4N268S264-N268 WeakPolarHBondContact O-CB 3.21Å; S264-N268 VanDerWaalsContact O-CG 3.3Å; S264-N268 PolarHBondContact O-N 3.25Å; S264-N268 PolarHBondContact O-ND2 3.28Å
265H98.4Very high98.2Very high131 Ų13147.5 Ų47.561%0.60627%0.265SS*.Hα-helixtrans-66.2-51.2173.8-179.986.2000111.2S263 L267 N268 Q269S263-H265 PolarHBondContact O-N 3Å; S263-H265 PolarHBondContact OG-N 2.91Å; H265-L267 VanDerWaalsContact C-N 3.31Å; H265-L267 PolarHBondContact O-N 3.03Å; H265-N268 PolarHBondContact O-N 3.23Å; H265-Q269 VanDerWaalsContact O-CB 3.26Å; H265-Q269 WeakPolarHBondContact O-CB 3.4Å; H265-Q269 WeakPolarHBondContact O-CG 3.22Å; H265-Q269 PolarHBondContact O-N 3.33Å
266S98.7Very high98.2Very high19 Ų1946.1 Ų46.113%0.13326%0.262CS..Hα-helixtrans-60.6-40.2177.8-570000112S263 L270 I271S263-S266 PolarHBondContact O-N 3.08Å; S263-S266 VanDerWaalsContact O-N 3.1Å; S263-S266 PolarHBondContact OG-N 3.5Å; S263-S266 PolarHBondContact OG-OG 2.89Å; S266-L270 WeakPolarHBondContact O-CA 3.4Å; S266-L270 VanDerWaalsContact O-CB 3.26Å; S266-L270 WeakPolarHBondContact O-CB 3.5Å; S266-L270 PolarHBondContact O-N 3.42Å; S266-I271 PolarHBondContact O-N 2.8Å
267L98.7Very high98.3Very high5 Ų539.4 Ų39.43%0.02624%0.237CC..Iπ-helixtrans-59.2-53.9174.317968.4000111.4L252 Y255 I262 S263 H265 I271 L272 I321L252-L267 HydrophobicContact CD2-CD1 3.84Å; Y255-L267 HydrophobicContact CD1-CD2 3.92Å; Y255-L267 HydrophobicContact CD2-CB 4.44Å; Y255-L267 HydrophobicContact CD2-CD2 4.07Å; Y255-L267 HydrophobicContact CE1-CD2 3.52Å; Y255-L267 HydrophobicContact CE2-CB 4.38Å; Y255-L267 HydrophobicContact CE2-CD2 3.69Å; Y255-L267 HydrophobicContact CG-CD1 4.38Å; Y255-L267 HydrophobicContact CG-CD2 4.18Å; I262-L267 HydrophobicContact CG2-CB 4.42Å; S263-L267 PolarHBondContact O-N 3.18Å; H265-L267 VanDerWaalsContact C-N 3.31Å; H265-L267 PolarHBondContact O-N 3.03Å; L267-I271 HydrophobicContact CD1-CB 4.26Å; L267-I271 HydrophobicContact CD1-CD1 4.44Å; L267-I271 HydrophobicContact CD1-CG2 4.34Å; L267-I271 PolarHBondContact O-N 3.4Å; L267-L272 HydrophobicContact CD1-CD1 4.28Å; L267-L272 HydrophobicContact CD1-CD2 4.35Å; L267-L272 HydrophobicContact CD1-CG 3.9Å; L267-L272 HydrophobicContact CD2-CD1 4.41Å; L267-L272 HydrophobicContact CG-CD1 3.97Å; L267-L272 HydrophobicContact CG-CG 4.05Å; L267-L272 WeakPolarHBondContact O-CB 3.47Å; L267-L272 PolarHBondContact O-N 3.26Å; L267-I321 HydrophobicContact CD2-CG2 4.35Å
268N98.7Very high98.4Very high85 Ų8537.1 Ų37.146%0.45523%0.225SC..Iπ-helixtrans-80-24.9-170.7-69-41.5000114.2S264 H265 P273S264-N268 WeakPolarHBondContact O-CB 3.21Å; S264-N268 VanDerWaalsContact O-CG 3.3Å; S264-N268 PolarHBondContact O-N 3.25Å; S264-N268 PolarHBondContact O-ND2 3.28Å; H265-N268 PolarHBondContact O-N 3.23Å; N268-P273 VanDerWaalsContact O-CD 3.3Å; N268-P273 WeakPolarHBondContact O-CD 3.44Å; N268-P273 VanDerWaalsContact O-CG 3.23Å; N268-P273 WeakPolarHBondContact O-CG 3.46Å
269Q98.6Very high98.4Very high111 Ų11137.7 Ų37.752%0.51923%0.229SC..Iπ-helixtrans-104.5-20.8-175.9-58.6-57.1-52.900113.7P227 H265P227-Q269 WeakPolarHBondContact CG-O 3.39Å; H265-Q269 VanDerWaalsContact O-CB 3.26Å; H265-Q269 WeakPolarHBondContact O-CB 3.4Å; H265-Q269 WeakPolarHBondContact O-CG 3.22Å; H265-Q269 PolarHBondContact O-N 3.33Å
270L98.9Very high98.5Very high18 Ų1837.6 Ų37.69%0.09422%0.221CC..Iπ-helixtrans-118.9-58-177.2-50.3176.8000111.5L195 Q199 P227 L228 S266 T274L195-L270 HydrophobicContact CD2-CB 4.41Å; L195-L270 HydrophobicContact CD2-CD1 4.36Å; Q199-L270 HydrophobicContact CG-CD1 4.44Å; Q199-L270 HydrophobicContact CG-CD2 4.26Å; P227-L270 HydrophobicContact CB-CD2 3.95Å; P227-L270 WeakPolarHBondContact CG-O 3.26Å; L228-L270 HydrophobicContact CD1-CB 4.01Å; L228-L270 HydrophobicContact CD2-CB 4.17Å; L228-L270 HydrophobicContact CG-CB 4.06Å; S266-L270 WeakPolarHBondContact O-CA 3.4Å; S266-L270 VanDerWaalsContact O-CB 3.26Å; S266-L270 WeakPolarHBondContact O-CB 3.5Å; S266-L270 PolarHBondContact O-N 3.42Å; L270-T274 WeakPolarHBondContact O-CB 3.35Å; L270-T274 PolarHBondContact O-N 3.24Å; L270-T274 PolarHBondContact O-OG1 3.44Å
271I98.9Very high98.6Very high0 Ų034.5 Ų34.50%019%0.189CC..Iπ-helixtrans-72.2-61.2-170.3-58.9168.2000110.7L195 L228 L248 L251 L252 I262 S266 L267 T274 V275L195-I271 HydrophobicContact CD2-CD1 4.27Å; L195-I271 HydrophobicContact CD2-CG1 3.89Å; L228-I271 HydrophobicContact CD1-CG1 4.49Å; L248-I271 HydrophobicContact CD2-CG2 4.12Å; L251-I271 HydrophobicContact CB-CD1 4.08Å; L251-I271 HydrophobicContact CB-CG2 4.44Å; L251-I271 HydrophobicContact CD1-CD1 4.34Å; L251-I271 HydrophobicContact CD1-CG1 4.21Å; L252-I271 HydrophobicContact CD2-CG2 3.69Å; L252-I271 HydrophobicContact CG-CG2 4.35Å; I262-I271 HydrophobicContact CD1-CD1 4.07Å; I262-I271 HydrophobicContact CG2-CD1 3.72Å; S266-I271 PolarHBondContact O-N 2.8Å; L267-I271 HydrophobicContact CD1-CB 4.26Å; L267-I271 HydrophobicContact CD1-CD1 4.44Å; L267-I271 HydrophobicContact CD1-CG2 4.34Å; L267-I271 PolarHBondContact O-N 3.4Å; I271-T274 WeakPolarHBondContact O-CA 3.04Å; I271-T274 WeakPolarHBondContact O-CB 3.43Å; I271-T274 PolarHBondContact O-N 3.03Å; I271-V275 HydrophobicContact CG2-CG2 4.34Å; I271-V275 WeakPolarHBondContact O-CG2 3.32Å; I271-V275 PolarHBondContact O-N 2.86Å
272L98.9Very high98.6Very high20 Ų2035.6 Ų35.611%0.10519%0.193CC..Hα-helixtrans-61.1-39.5-176.8-69178.1000113.5L252 L267 T274 V275 D276 T322L252-L272 HydrophobicContact CD2-CD2 4.08Å; L267-L272 HydrophobicContact CD1-CD1 4.28Å; L267-L272 HydrophobicContact CD1-CD2 4.35Å; L267-L272 HydrophobicContact CD1-CG 3.9Å; L267-L272 HydrophobicContact CD2-CD1 4.41Å; L267-L272 HydrophobicContact CG-CD1 3.97Å; L267-L272 HydrophobicContact CG-CG 4.05Å; L267-L272 WeakPolarHBondContact O-CB 3.47Å; L267-L272 PolarHBondContact O-N 3.26Å; L272-T274 VanDerWaalsContact C-N 3.26Å; L272-T274 PolarHBondContact O-N 3.07Å; L272-V275 WeakPolarHBondContact O-CB 3.12Å; L272-V275 PolarHBondContact O-N 3.19Å; L272-V275 VanDerWaalsContact O-N 3.14Å; L272-D276 PolarHBondContact O-N 2.69Å; L272-T322 HydrophobicContact CD1-CG2 3.81Å; L272-T322 HydrophobicContact CD2-CG2 3.78Å; L272-T322 HydrophobicContact CG-CG2 4.46Å
273P98.9Very high98.5Very high47 Ų4736.6 Ų36.631%0.30520%0.199SC..Hα-helixtrans-61.8-33.3172.4-27.237.7000113.5P227 N268 W277P227-P273 HydrophobicContact CG-CB 4.03Å; N268-P273 VanDerWaalsContact O-CD 3.3Å; N268-P273 WeakPolarHBondContact O-CD 3.44Å; N268-P273 VanDerWaalsContact O-CG 3.23Å; N268-P273 WeakPolarHBondContact O-CG 3.46Å; P273-W277 PolarHBondContact O-N 3.09Å
274T98.9Very high98.4Very high0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-72.6-35174.1-51.60000111.4P226 P227 L228 F244 L248 L270 I271 L272 W277 M278P226-T274 HydrophobicContact CB-CG2 3.88Å; P226-T274 HydrophobicContact CG-CG2 4.29Å; P227-T274 WeakPolarHBondContact CD-OG1 3.42Å; L228-T274 HydrophobicContact CB-CG2 4.19Å; F244-T274 HydrophobicContact CD1-CG2 3.88Å; F244-T274 HydrophobicContact CE1-CG2 4.1Å; L248-T274 HydrophobicContact CD1-CG2 3.93Å; L248-T274 HydrophobicContact CD2-CG2 4.1Å; L270-T274 WeakPolarHBondContact O-CB 3.35Å; L270-T274 PolarHBondContact O-N 3.24Å; L270-T274 PolarHBondContact O-OG1 3.44Å; I271-T274 WeakPolarHBondContact O-CA 3.04Å; I271-T274 WeakPolarHBondContact O-CB 3.43Å; I271-T274 PolarHBondContact O-N 3.03Å; L272-T274 VanDerWaalsContact C-N 3.26Å; L272-T274 PolarHBondContact O-N 3.07Å; T274-W277 HydrophobicContact CG2-CE3 4.37Å; T274-W277 PolarHBondContact O-N 3.02Å; T274-M278 PolarHBondContact O-N 2.9Å
275V98.9Very high98.3Very high0 Ų040.4 Ų40.40%021%0.212CC..Hα-helixtrans-65.1-42.5172.3176.80000111.5L248 L252 I271 L272 M278 S279 L314 M315 A318 Y327L248-V275 HydrophobicContact CB-CG2 4.17Å; L248-V275 HydrophobicContact CD1-CG2 4.06Å; L248-V275 HydrophobicContact CD2-CG2 4.28Å; L248-V275 HydrophobicContact CG-CG2 4.4Å; L252-V275 HydrophobicContact CD1-CG2 4.4Å; I271-V275 HydrophobicContact CG2-CG2 4.34Å; I271-V275 WeakPolarHBondContact O-CG2 3.32Å; I271-V275 PolarHBondContact O-N 2.86Å; L272-V275 WeakPolarHBondContact O-CB 3.12Å; L272-V275 PolarHBondContact O-N 3.19Å; L272-V275 VanDerWaalsContact O-N 3.14Å; V275-M278 WeakPolarHBondContact O-CB 3.49Å; V275-M278 PolarHBondContact O-N 3.37Å; V275-S279 PolarHBondContact O-N 3.18Å; V275-L314 HydrophobicContact CG1-CD1 4.38Å; V275-L314 HydrophobicContact CG1-CG 4.35Å; V275-L314 HydrophobicContact CG2-CD1 4.02Å; V275-M315 HydrophobicContact CG1-CE 4.33Å; V275-A318 HydrophobicContact CG1-CB 3.61Å; V275-Y327 HydrophobicContact CG1-CD1 4.27Å; V275-Y327 HydrophobicContact CG1-CE1 3.85Å
276D98.9Very high98.3Very high44 Ų4434.3 Ų34.324%0.23518%0.184CC..Hα-helixtrans-61.6-45.1175.7-174.487.4000110.7L272 M278 S279 Q280 K326L272-D276 PolarHBondContact O-N 2.69Å; D276-M278 VanDerWaalsContact C-N 3.35Å; D276-M278 PolarHBondContact O-N 3.1Å; D276-S279 WeakPolarHBondContact O-CB 3.1Å; D276-S279 PolarHBondContact O-N 2.94Å; D276-S279 VanDerWaalsContact O-N 3.1Å; D276-S279 PolarHBondContact O-OG 3.08Å; D276-Q280 WeakPolarHBondContact O-CG 3.45Å; D276-Q280 PolarHBondContact O-N 3.19Å; D276-Q280 PolarHBondContact OD2-NE2 2.73Å; D276-K326 VanDerWaalsContact OD1-CE 3.3Å; D276-K326 WeakPolarHBondContact OD1-CE 2.94Å; D276-K326 IonicContact OD1-NZ 2.7Å; D276-K326 PolarHBondContact OD1-NZ 2.95Å
277W98.8Very high98.2Very high5 Ų533.4 Ų33.42%0.01918%0.178CC..Hα-helixtrans-56.1-45.8171.1170.585.8000112.6Y211 L223 P226 L238 F244 P273 T274 S279 Q280 L281 L292Y211-W277 HydrophobicContact CE2-CZ2 4.12Å; Y211-W277 AromaticContact CE2-NE1 3.99Å; Y211-W277 AromaticContact CZ-NE1 3.91Å; Y211-W277 PolarHBondContact OH-NE1 2.8Å; L223-W277 HydrophobicContact CD2-CG 4.46Å; P226-W277 HydrophobicContact CB-CB 3.91Å; P226-W277 HydrophobicContact CB-CD2 4.02Å; P226-W277 HydrophobicContact CB-CE3 4.27Å; P226-W277 HydrophobicContact CB-CG 3.86Å; P226-W277 HydrophobicContact CG-CB 4.46Å; P226-W277 HydrophobicContact CG-CD2 3.58Å; P226-W277 HydrophobicContact CG-CE3 3.79Å; P226-W277 HydrophobicContact CG-CG 3.87Å; P226-W277 HydrophobicContact CG-CH2 4.47Å; P226-W277 HydrophobicContact CG-CZ2 4.28Å; P226-W277 HydrophobicContact CG-CZ3 4.25Å; L238-W277 HydrophobicContact CD2-CH2 4Å; L238-W277 HydrophobicContact CD2-CZ3 4.33Å; F244-W277 HydrophobicContact CD1-CE3 4.48Å; F244-W277 AromaticContact CD1-CZ3 3.71Å; F244-W277 HydrophobicContact CD1-CZ3 3.71Å; F244-W277 HydrophobicContact CD2-CH2 4.4Å; F244-W277 HydrophobicContact CD2-CZ3 4.17Å; F244-W277 HydrophobicContact CE1-CH2 4.17Å; F244-W277 AromaticContact CE1-CZ3 3.7Å; F244-W277 HydrophobicContact CE1-CZ3 3.7Å; F244-W277 HydrophobicContact CE2-CH2 4.11Å; F244-W277 HydrophobicContact CE2-CZ3 4.22Å; F244-W277 AromaticContact CG-CZ3 3.96Å; F244-W277 HydrophobicContact CG-CZ3 3.96Å; F244-W277 AromaticContact CZ-CH2 3.97Å; F244-W277 HydrophobicContact CZ-CH2 3.97Å; F244-W277 AromaticContact CZ-CZ3 3.97Å; F244-W277 HydrophobicContact CZ-CZ3 3.97Å; P273-W277 PolarHBondContact O-N 3.09Å; T274-W277 HydrophobicContact CG2-CE3 4.37Å; T274-W277 PolarHBondContact O-N 3.02Å; W277-S279 VanDerWaalsContact C-N 3.28Å; W277-S279 PolarHBondContact O-N 3.28Å; W277-Q280 PolarHBondContact O-N 3.21Å; W277-Q280 VanDerWaalsContact O-N 3.12Å; W277-L281 HydrophobicContact CD2-CD1 4.21Å; W277-L281 HydrophobicContact CE3-CD1 4.2Å; W277-L281 HydrophobicContact CH2-CD1 3.65Å; W277-L281 HydrophobicContact CZ2-CD1 3.65Å; W277-L281 HydrophobicContact CZ3-CD1 3.93Å; W277-L281 PolarHBondContact O-N 3.43Å; W277-L292 HydrophobicContact CH2-CD1 4.01Å; W277-L292 HydrophobicContact CH2-CD2 3.89Å; W277-L292 HydrophobicContact CH2-CG 4.33Å; W277-L292 HydrophobicContact CZ2-CD1 3.91Å; W277-L292 HydrophobicContact CZ2-CD2 3.75Å; W277-L292 HydrophobicContact CZ2-CG 4.41Å
278M98.8Very high98.2Very high0 Ų033.3 Ų33.30%018%0.177CC..Hα-helixtrans-58.3-37.8175.3-84-67.8-7000112.8L238 F244 A245 L248 T274 V275 D276 Q280 L281 W288 V311 L314 M315L238-M278 HydrophobicContact CB-CE 4.14Å; L238-M278 HydrophobicContact CB-SD 4.43Å; L238-M278 HydrophobicContact CD2-SD 3.83Å; L238-M278 WeakPolarHBondContact O-CE 3.43Å; F244-M278 HydrophobicContact CB-CE 3.99Å; F244-M278 HydrophobicContact CB-CG 4.02Å; F244-M278 HydrophobicContact CB-SD 3.51Å; F244-M278 VanDerWaalsContact CB-SD 3.51Å; F244-M278 HydrophobicContact CG-SD 4.08Å; A245-M278 HydrophobicContact CB-CE 4.22Å; L248-M278 HydrophobicContact CD1-CG 3.85Å; T274-M278 PolarHBondContact O-N 2.9Å; V275-M278 WeakPolarHBondContact O-CB 3.49Å; V275-M278 PolarHBondContact O-N 3.37Å; D276-M278 VanDerWaalsContact C-N 3.35Å; D276-M278 PolarHBondContact O-N 3.1Å; M278-Q280 VanDerWaalsContact C-N 3.3Å; M278-Q280 PolarHBondContact O-N 2.9Å; M278-L281 PolarHBondContact O-N 3.04Å; M278-L281 HydrophobicContact SD-CD1 4.25Å; M278-W288 PolarHBondContact O-NE1 3.45Å; M278-V311 HydrophobicContact CE-CG1 4.37Å; M278-V311 HydrophobicContact CE-CG2 4.29Å; M278-L314 HydrophobicContact CB-CD2 4.2Å; M278-L314 HydrophobicContact CE-CD2 4.34Å; M278-L314 HydrophobicContact CG-CD2 4.29Å; M278-M315 HydrophobicContact CB-CE 4.13Å
279S98.7Very high98.2Very high13 Ų1329.3 Ų29.39%0.09116%0.156CC..Hα-helixtrans-65.6-34.3178.179.50000112.1V275 D276 W277 L281 Q282V275-S279 PolarHBondContact O-N 3.18Å; D276-S279 WeakPolarHBondContact O-CB 3.1Å; D276-S279 PolarHBondContact O-N 2.94Å; D276-S279 VanDerWaalsContact O-N 3.1Å; D276-S279 PolarHBondContact O-OG 3.08Å; W277-S279 VanDerWaalsContact C-N 3.28Å; W277-S279 PolarHBondContact O-N 3.28Å; S279-L281 VanDerWaalsContact C-N 3.28Å; S279-L281 PolarHBondContact O-N 3.43Å; S279-Q282 WeakPolarHBondContact O-CB 3.14Å; S279-Q282 PolarHBondContact O-N 3.43Å
280Q98.2Very high98.1Very high87 Ų8725.2 Ų25.241%0.40714%0.139SC..Hα-helixtrans-75.4-14.5-179.1-65-178.16200114K220 L223 D276 W277 M278 Q282K220-Q280 VanDerWaalsContact CE-O 3.28Å; K220-Q280 WeakPolarHBondContact CE-O 3.44Å; K220-Q280 PolarHBondContact NZ-O 3.45Å; L223-Q280 HydrophobicContact CD1-CB 3.98Å; L223-Q280 HydrophobicContact CD1-CG 4.44Å; L223-Q280 HydrophobicContact CD2-CB 4.13Å; D276-Q280 WeakPolarHBondContact O-CG 3.45Å; D276-Q280 PolarHBondContact O-N 3.19Å; D276-Q280 PolarHBondContact OD2-NE2 2.73Å; W277-Q280 PolarHBondContact O-N 3.21Å; W277-Q280 VanDerWaalsContact O-N 3.12Å; M278-Q280 VanDerWaalsContact C-N 3.3Å; M278-Q280 PolarHBondContact O-N 2.9Å; Q280-Q282 VanDerWaalsContact C-N 3.3Å
281L98.2Very high98.1Very high2 Ų224.8 Ų24.81%0.0114%0.138CC..THydrogen-bonded Turntrans-80.6-5.9174.6-65.5176000113.8M215 L223 L238 W277 M278 S279 L283 P289 L292 L296M215-L281 HydrophobicContact CE-CD2 4.16Å; L223-L281 HydrophobicContact CD2-CD2 3.65Å; L223-L281 HydrophobicContact CD2-CG 4.18Å; L238-L281 HydrophobicContact CD1-CD1 3.78Å; L238-L281 HydrophobicContact CD2-CD1 3.93Å; W277-L281 HydrophobicContact CD2-CD1 4.21Å; W277-L281 HydrophobicContact CE3-CD1 4.2Å; W277-L281 HydrophobicContact CH2-CD1 3.65Å; W277-L281 HydrophobicContact CZ2-CD1 3.65Å; W277-L281 HydrophobicContact CZ3-CD1 3.93Å; W277-L281 PolarHBondContact O-N 3.43Å; M278-L281 PolarHBondContact O-N 3.04Å; M278-L281 HydrophobicContact SD-CD1 4.25Å; S279-L281 VanDerWaalsContact C-N 3.28Å; S279-L281 PolarHBondContact O-N 3.43Å; L281-L283 PolarHBondContact O-N 3.39Å; L281-P289 WeakPolarHBondContact O-CD 3.44Å; L281-L292 HydrophobicContact CD1-CD2 4.05Å; L281-L296 HydrophobicContact CD2-CD2 4.01Å
282Q98.2Very high98Very high24 Ų2425.1 Ų25.111%0.11214%0.14CC..  trans-59.8135.6178.8-165.3174.526.800110.9S279 Q280 G286 W288 C330S279-Q282 WeakPolarHBondContact O-CB 3.14Å; S279-Q282 PolarHBondContact O-N 3.43Å; Q280-Q282 VanDerWaalsContact C-N 3.3Å; Q282-G286 PolarHBondContact NE2-O 2.67Å; Q282-W288 HydrophobicContact CB-CD2 4.32Å; Q282-W288 HydrophobicContact CB-CH2 4.46Å; Q282-W288 HydrophobicContact CB-CZ2 3.76Å; Q282-W288 VanDerWaalsContact CD-CH2 3.42Å; Q282-W288 HydrophobicContact CG-CD2 4.09Å; Q282-W288 HydrophobicContact CG-CE3 4.21Å; Q282-W288 HydrophobicContact CG-CH2 3.84Å; Q282-W288 HydrophobicContact CG-CZ2 3.65Å; Q282-W288 HydrophobicContact CG-CZ3 4.1Å; Q282-W288 VanDerWaalsContact NE2-CZ3 3.32Å; Q282-C330 PolarHBondContact NE2-O 3.41Å; Q282-C330 PolarHBondContact OE1-SG 3Å
283L96.8Very high97.9Very high27 Ų2725 Ų2514%0.14114%0.143CC..  trans-82.6161.3177.9-57.6173.7000110.2L281 S285 G286 N287 P289 L296 D299L281-L283 PolarHBondContact O-N 3.39Å; L283-S285 PolarHBondContact O-N 3.12Å; L283-G286 PolarHBondContact O-N 2.7Å; L283-N287 WeakPolarHBondContact CB-O 3.42Å; L283-N287 PolarHBondContact N-O 3.19Å; L283-P289 HydrophobicContact CD1-CG 4.32Å; L283-P289 HydrophobicContact CD2-CG 4.15Å; L283-P289 HydrophobicContact CG-CG 4.3Å; L283-L296 WeakPolarHBondContact CD2-O 3.46Å; L283-D299 HydrophobicContact CD1-CB 3.69Å
284N95.6Very high97.6Very high176 Ų17628.5 Ų28.594%0.94116%0.159SC*.THydrogen-bonded Turntrans-59.9-22.4-179.1-67.1-15.2000114.1G286N284-G286 PolarHBondContact O-N 3.48Å
285S95.6Very high97.4Very high35 Ų3528.8 Ų28.825%0.24516%0.161CC..THydrogen-bonded Turntrans-75.8-8174.562.20000114L283 N287 D299L283-S285 PolarHBondContact O-N 3.12Å; S285-N287 VanDerWaalsContact C-N 3.3Å; S285-N287 WeakPolarHBondContact OG-CB 3.18Å; S285-N287 PolarHBondContact OG-N 3.37Å; S285-D299 WeakPolarHBondContact CB-OD2 3.32Å; S285-D299 VanDerWaalsContact OG-CG 3.29Å; S285-D299 PolarHBondContact OG-OD1 3.31Å; S285-D299 PolarHBondContact OG-OD2 3.25Å
286G98Very high97.2Very high3 Ų329.1 Ų29.13%0.03116%0.163CC..SBendtrans86.8-8.1-167.600000113.8Q282 L283 N284 W288 D333 G334Q282-G286 PolarHBondContact NE2-O 2.67Å; L283-G286 PolarHBondContact O-N 2.7Å; N284-G286 PolarHBondContact O-N 3.48Å; G286-W288 WeakPolarHBondContact O-CZ3 3.48Å; G286-D333 WeakPolarHBondContact CA-O 3.16Å; G286-G334 VanDerWaalsContact O-CA 3.29Å; G286-G334 WeakPolarHBondContact O-CA 3.3Å
287N98Very high96.8Very high0 Ų031.3 Ų31.30%018%0.175CC..  trans-79.7172.1177-164.925.7000113.1L283 S285 D299 L301 A308 A337L283-N287 WeakPolarHBondContact CB-O 3.42Å; L283-N287 PolarHBondContact N-O 3.19Å; S285-N287 VanDerWaalsContact C-N 3.3Å; S285-N287 WeakPolarHBondContact OG-CB 3.18Å; S285-N287 PolarHBondContact OG-N 3.37Å; N287-D299 VanDerWaalsContact CB-OD1 3.24Å; N287-D299 WeakPolarHBondContact CB-OD1 3.37Å; N287-D299 PolarHBondContact ND2-OD1 3.13Å; N287-L301 PolarHBondContact ND2-O 3.01Å; N287-L301 PolarHBondContact OD1-O 3.25Å; N287-A308 WeakPolarHBondContact OD1-CB 3.43Å; N287-A308 PolarHBondContact OD1-N 3.18Å; N287-A337 HydrophobicContact CB-CB 4.2Å
288W98.3Very high96.5Very high2 Ų237.6 Ų37.61%0.00820%0.198CC..  trans-119.2150.9170.7-79.2-101.7000111.6M278 Q282 G286 A308 V311 M315 C330M278-W288 PolarHBondContact O-NE1 3.45Å; Q282-W288 HydrophobicContact CB-CD2 4.32Å; Q282-W288 HydrophobicContact CB-CH2 4.46Å; Q282-W288 HydrophobicContact CB-CZ2 3.76Å; Q282-W288 VanDerWaalsContact CD-CH2 3.42Å; Q282-W288 HydrophobicContact CG-CD2 4.09Å; Q282-W288 HydrophobicContact CG-CE3 4.21Å; Q282-W288 HydrophobicContact CG-CH2 3.84Å; Q282-W288 HydrophobicContact CG-CZ2 3.65Å; Q282-W288 HydrophobicContact CG-CZ3 4.1Å; Q282-W288 VanDerWaalsContact NE2-CZ3 3.32Å; G286-W288 WeakPolarHBondContact O-CZ3 3.48Å; W288-A308 HydrophobicContact CE3-CB 3.91Å; W288-A308 HydrophobicContact CZ3-CB 4.02Å; W288-V311 HydrophobicContact CB-CG2 4.12Å; W288-V311 HydrophobicContact CD2-CB 3.93Å; W288-V311 HydrophobicContact CD2-CG1 3.71Å; W288-V311 HydrophobicContact CD2-CG2 4.09Å; W288-V311 VanDerWaalsContact CE2-CG1 3.49Å; W288-V311 HydrophobicContact CE3-CB 3.98Å; W288-V311 HydrophobicContact CE3-CG1 4.11Å; W288-V311 HydrophobicContact CE3-CG2 4.41Å; W288-V311 HydrophobicContact CG-CB 4.34Å; W288-V311 HydrophobicContact CG-CG1 4.19Å; W288-V311 HydrophobicContact CG-CG2 3.96Å; W288-V311 HydrophobicContact CH2-CG1 4.03Å; W288-V311 HydrophobicContact CZ2-CG1 3.68Å; W288-V311 HydrophobicContact CZ3-CB 4.28Å; W288-V311 HydrophobicContact CZ3-CG1 4.25Å; W288-M315 HydrophobicContact CH2-CG 4.28Å; W288-M315 HydrophobicContact CZ2-CG 4.16Å; W288-C330 HydrophobicContact CH2-CB 4.25Å; W288-C330 WeakPolarHBondContact CH2-O 3.4Å; W288-C330 HydrophobicContact CZ2-CB 4.2Å
289P97.5Very high96.3Very high1 Ų139.2 Ų39.21%0.00621%0.207CC..  trans-56.7155.8167.1-24.636.6000112.3L238 L281 L283 S291 S295 L296L238-P289 HydrophobicContact CD1-CB 3.9Å; L238-P289 HydrophobicContact CD1-CG 4.25Å; L281-P289 WeakPolarHBondContact O-CD 3.44Å; L283-P289 HydrophobicContact CD1-CG 4.32Å; L283-P289 HydrophobicContact CD2-CG 4.15Å; L283-P289 HydrophobicContact CG-CG 4.3Å; P289-S291 VanDerWaalsContact C-N 3.32Å; P289-S295 WeakPolarHBondContact CB-O 3.35Å; P289-L296 HydrophobicContact CG-CD2 4.21Å
290S97.6Very high96.2Very high25 Ų2540.9 Ų40.918%0.17522%0.217CC..SBendtrans-70.5-31.3173.160.90000112.9L238 S295L238-S290 PolarHBondContact N-O 3.28Å; S290-S295 WeakPolarHBondContact OG-CB 3.07Å; S290-S295 PolarHBondContact OG-OG 3.36Å
291S98.1Very high96.1Very high9 Ų938.5 Ų38.56%0.06321%0.206CC..BIsolated β-bridgetrans-159.5170.5-173.963.40000110.8C236 P289 S295C236-S291 CarbonylContact O-C 3.5Å; C236-S291 WeakPolarHBondContact O-CA 3.44Å; C236-S291 WeakPolarHBondContact O-CB 3.11Å; P289-S291 VanDerWaalsContact C-N 3.32Å; S291-S295 WeakPolarHBondContact O-CB 3.41Å; S291-S295 VanDerWaalsContact OG-CB 3.31Å; S291-S295 WeakPolarHBondContact OG-CB 3.44Å; S291-S295 PolarHBondContact OG-OG 3.41Å; S291-S295 VanDerWaalsContact OG-OG 3.04Å
292L97.9Very high96.1Very high8 Ų838.4 Ų38.44%0.04221%0.206CC..SBendtrans-69.3173.4163.6-55.2-175.8000111.7Y211 L214 M215 M229 C236 L238 W277 L281 L296Y211-L292 HydrophobicContact CE2-CD1 4.49Å; L214-L292 HydrophobicContact CB-CB 4.27Å; L214-L292 HydrophobicContact CD1-CB 4.23Å; L214-L292 HydrophobicContact CD1-CD1 4.33Å; M215-L292 HydrophobicContact SD-CD2 4.26Å; M229-L292 HydrophobicContact CE-CD1 3.83Å; C236-L292 HydrophobicContact CB-CB 4Å; C236-L292 HydrophobicContact CB-CD1 3.7Å; C236-L292 HydrophobicContact CB-CG 3.75Å; C236-L292 PolarHBondContact O-N 3.42Å; L238-L292 HydrophobicContact CD2-CD2 3.96Å; L238-L292 HydrophobicContact CD2-CG 4.28Å; W277-L292 HydrophobicContact CH2-CD1 4.01Å; W277-L292 HydrophobicContact CH2-CD2 3.89Å; W277-L292 HydrophobicContact CH2-CG 4.33Å; W277-L292 HydrophobicContact CZ2-CD1 3.91Å; W277-L292 HydrophobicContact CZ2-CD2 3.75Å; W277-L292 HydrophobicContact CZ2-CG 4.41Å; L281-L292 HydrophobicContact CD1-CD2 4.05Å; L292-L296 HydrophobicContact CD2-CD2 3.75Å; L292-L296 HydrophobicContact CD2-CG 4.48Å
293G96.2Very high96Very high17 Ų1737.5 Ų37.518%0.17520%0.202CC..G310 helixtrans80.6-139.4-178.600000112.5L214 S295 L296L214-G293 WeakPolarHBondContact O-CA 3.33Å; L214-G293 PolarHBondContact O-N 3.46Å; G293-S295 PolarHBondContact O-N 3.21Å; G293-L296 WeakPolarHBondContact O-CB 3.49Å; G293-L296 WeakPolarHBondContact O-CG 3.41Å; G293-L296 PolarHBondContact O-N 2.85Å
294D92.6Very high96.1Very high121 Ų12136.5 Ų36.565%0.64720%0.196SC*.G310 helixtrans-53.9-23.8-176.8-62.3-10.8000114.2
295S94.5Very high96.2Very high5 Ų528.6 Ų28.64%0.03515%0.154CC..G310 helixtrans-77.5-17.1179.2-610000113.9P289 S290 S291 G293 N297 R298P289-S295 WeakPolarHBondContact CB-O 3.35Å; S290-S295 WeakPolarHBondContact OG-CB 3.07Å; S290-S295 PolarHBondContact OG-OG 3.36Å; S291-S295 WeakPolarHBondContact O-CB 3.41Å; S291-S295 VanDerWaalsContact OG-CB 3.31Å; S291-S295 WeakPolarHBondContact OG-CB 3.44Å; S291-S295 PolarHBondContact OG-OG 3.41Å; S291-S295 VanDerWaalsContact OG-OG 3.04Å; G293-S295 PolarHBondContact O-N 3.21Å; S295-N297 PolarHBondContact O-N 3.31Å; S295-N297 VanDerWaalsContact O-N 3.09Å; S295-R298 PolarHBondContact O-N 3.09Å; S295-R298 PolarHBondContact OG-NH2 3.48Å
296L95.6Very high96.3Very high7 Ų728.5 Ų28.54%0.03715%0.15CC..G310 helixtrans-58.9-27-173.1-78.3169.9000114.4L214 M215 L281 L283 P289 L292 G293L214-L296 VanDerWaalsContact O-CD1 3.3Å; L214-L296 WeakPolarHBondContact O-CD1 3.33Å; M215-L296 HydrophobicContact CE-CD1 4.11Å; M215-L296 HydrophobicContact SD-CD1 3.47Å; M215-L296 WeakPolarHBondContact SD-CD1 3.45Å; M215-L296 HydrophobicContact SD-CD2 4.46Å; L281-L296 HydrophobicContact CD2-CD2 4.01Å; L283-L296 WeakPolarHBondContact CD2-O 3.46Å; P289-L296 HydrophobicContact CG-CD2 4.21Å; L292-L296 HydrophobicContact CD2-CD2 3.75Å; L292-L296 HydrophobicContact CD2-CG 4.48Å; G293-L296 WeakPolarHBondContact O-CB 3.49Å; G293-L296 WeakPolarHBondContact O-CG 3.41Å; G293-L296 PolarHBondContact O-N 2.85Å
297N90.7Very high96.3Very high91 Ų9128.3 Ų28.349%0.48715%0.149SC..G310 helixtrans-105.94.7175.8-58.6-41.1000112.7Q217 S219 S295Q217-N297 PolarHBondContact O-ND2 3.2Å; S219-N297 PolarHBondContact N-OD1 3.45Å; S295-N297 PolarHBondContact O-N 3.31Å; S295-N297 VanDerWaalsContact O-N 3.09Å
298R91.9Very high96.3Very high136 Ų13628.3 Ų28.351%0.51315%0.149SC..  trans-98.3104.6-177.2-66.1-164.9-62.4-152.2-4.7111.1S295 V300S295-R298 PolarHBondContact O-N 3.09Å; S295-R298 PolarHBondContact OG-NH2 3.48Å; R298-V300 HydrophobicContact CB-CG2 4.26Å; R298-V300 PolarHBondContact O-N 3.08Å
299D94.6Very high96.3Very high35 Ų3528.4 Ų28.419%0.18715%0.149CC..  trans-90.974.7178.3-169.52000112.5L283 S285 N287 R341L283-D299 HydrophobicContact CD1-CB 3.69Å; S285-D299 WeakPolarHBondContact CB-OD2 3.32Å; S285-D299 VanDerWaalsContact OG-CG 3.29Å; S285-D299 PolarHBondContact OG-OD1 3.31Å; S285-D299 PolarHBondContact OG-OD2 3.25Å; N287-D299 VanDerWaalsContact CB-OD1 3.24Å; N287-D299 WeakPolarHBondContact CB-OD1 3.37Å; N287-D299 PolarHBondContact ND2-OD1 3.13Å; D299-R341 VanDerWaalsContact CG-NH1 3.27Å; D299-R341 PolarHBondContact O-NH2 3.33Å; D299-R341 IonicContact OD1-CZ 2.8Å; D299-R341 IonicContact OD1-NH1 2.71Å; D299-R341 PolarHBondContact OD1-NH1 3.45Å; D299-R341 IonicContact OD1-NH2 3.88Å; D299-R341 PolarHBondContact OD1-NH2 3.47Å; D299-R341 IonicContact OD2-NH1 3.34Å; D299-R341 PolarHBondContact OD2-NH1 3.39Å
300V95.2Very high96.4Very high47 Ų4728.4 Ų28.429%0.28515%0.149SC..  trans-119.5-55.9-167.9179.60000113.8D6 R8 R298 R341D6-V300 HydrophobicContact CB-CG1 4.35Å; R8-V300 HydrophobicContact CG-CG1 3.87Å; R298-V300 HydrophobicContact CB-CG2 4.26Å; R298-V300 PolarHBondContact O-N 3.08Å; V300-R341 PolarHBondContact O-NH2 3.44Å; V300-R341 VanDerWaalsContact O-NH2 3.13Å
301L96.7Very high96.4Very high37 Ų3727.2 Ų27.219%0.19414%0.141CC..  trans-92.9130.1-170.4-56.8176.1000110R8 N287 H306 G307R8-L301 HydrophobicContact CG-CD2 4.36Å; N287-L301 PolarHBondContact ND2-O 3.01Å; N287-L301 PolarHBondContact OD1-O 3.25Å; L301-H306 CarbonylContact C-O 3.55Å; L301-H306 VanDerWaalsContact C-O 3.27Å; L301-H306 HydrophobicContact CB-CB 3.98Å; L301-H306 VanDerWaalsContact CB-O 3.23Å; L301-H306 WeakPolarHBondContact CB-O 3.33Å; L301-H306 HydrophobicContact CD1-CB 3.67Å; L301-H306 HydrophobicContact CG-CB 4.48Å; L301-H306 VanDerWaalsContact O-O 3.1Å; L301-G307 WeakPolarHBondContact O-CA 3.47Å
302V97.7Very high96.5Very high1 Ų126.8 Ų26.81%0.00614%0.138CC..  trans-120.959.5175-171.10000108.2A308 T309 V338 R341V302-A308 HydrophobicContact CG1-CB 4.43Å; V302-T309 PolarHBondContact O-OG1 2.8Å; V302-V338 HydrophobicContact CG1-CG2 3.9Å; V302-R341 HydrophobicContact CB-CB 4.45Å; V302-R341 HydrophobicContact CG2-CB 3.92Å
303H97.5Very high96.5Very high5 Ų526.9 Ų26.92%0.02314%0.139CC..SBendtrans-120.8158.8-170.8-56.7169.3000110.7C305 H306 G307 T309 L344 H352H303-C305 VanDerWaalsContact C-N 3.27Å; H303-C305 PolarHBondContact O-N 3.08Å; H303-H306 PolarHBondContact N-O 3.37Å; H303-H306 CarbonylContact O-C 3.55Å; H303-H306 VanDerWaalsContact O-C 3.22Å; H303-H306 PolarHBondContact O-N 3.06Å; H303-G307 PolarHBondContact O-N 3.25Å; H303-T309 VanDerWaalsContact C-CB 3.48Å; H303-L344 WeakPolarHBondContact CD2-CD1 3.33Å; H303-H352 HydrophobicContact CB-CB 3.99Å
304W98.4Very high96.6Very high6 Ų626 Ų262%0.02313%0.131CC..SBendtrans-60-41173.8170.890.7000111Y56 Y112 L162 A240 A241 H306 T309 G310 C351 M402 F423 L426Y56-W304 HydrophobicContact CE2-CZ3 4.33Å; Y112-W304 HydrophobicContact CE1-CH2 4.5Å; L162-W304 HydrophobicContact CD2-CH2 4.15Å; L162-W304 HydrophobicContact CD2-CZ3 4.44Å; A240-W304 HydrophobicContact CB-CD2 3.89Å; A240-W304 HydrophobicContact CB-CG 4.1Å; A240-W304 HydrophobicContact CB-CZ2 4.01Å; A240-W304 VanDerWaalsContact CB-O 3.27Å; A240-W304 WeakPolarHBondContact CB-O 3.33Å; A240-W304 PolarHBondContact N-O 3.04Å; A241-W304 HydrophobicContact CB-CE3 4.19Å; A241-W304 HydrophobicContact CB-CH2 4.16Å; A241-W304 HydrophobicContact CB-CZ3 3.58Å; W304-H306 PolarHBondContact O-N 3.49Å; W304-T309 HydrophobicContact CB-CG2 4.09Å; W304-G310 WeakPolarHBondContact O-CA 3.24Å; W304-C351 WeakPolarHBondContact CB-O 3.41Å; W304-C351 HydrophobicContact CE3-CB 4.13Å; W304-C351 PolarHBondContact N-O 2.59Å; W304-M402 HydrophobicContact CD2-CE 4.3Å; W304-M402 HydrophobicContact CE3-CE 3.88Å; W304-M402 HydrophobicContact CH2-CE 3.7Å; W304-M402 HydrophobicContact CZ2-CE 4.11Å; W304-M402 HydrophobicContact CZ3-CE 3.57Å; W304-F423 AromaticContact CD1-CE2 3.84Å; W304-F423 AromaticContact CD1-CZ 3.68Å; W304-F423 HydrophobicContact CD2-CE1 4.37Å; W304-F423 AromaticContact CD2-CZ 3.93Å; W304-F423 HydrophobicContact CD2-CZ 3.93Å; W304-F423 AromaticContact CE2-CE1 3.69Å; W304-F423 AromaticContact CE2-CZ 3.73Å; W304-F423 HydrophobicContact CG-CE2 4.17Å; W304-F423 AromaticContact CG-CZ 3.9Å; W304-F423 HydrophobicContact CG-CZ 3.9Å; W304-F423 AromaticContact CZ2-CE1 3.98Å; W304-F423 HydrophobicContact CZ2-CE1 3.98Å; W304-F423 HydrophobicContact CZ2-CZ 4.33Å; W304-F423 AromaticContact NE1-CD1 3.98Å; W304-F423 AromaticContact NE1-CE1 3.5Å; W304-F423 AromaticContact NE1-CZ 3.56Å; W304-L426 HydrophobicContact CZ2-CB 4.41Å; W304-L426 HydrophobicContact CZ2-CD2 3.67Å
305C97.9Very high96.9Very high9 Ų920.3 Ų20.36%0.06110%0.1CC..SBendtrans-70-30.3176.753.90000114.5G239 A241 H303 C351G239-C305 VanDerWaalsContact CA-O 3.32Å; G239-C305 WeakPolarHBondContact CA-O 3.3Å; A241-C305 HydrophobicContact CB-CB 3.67Å; H303-C305 VanDerWaalsContact C-N 3.27Å; H303-C305 PolarHBondContact O-N 3.08Å; C305-C351 VanDerWaalsContact CB-SG 3.53Å; C305-C351 PolarHBondContact N-O 3.29Å
306H97.2Very high97.2Very high33 Ų3320 Ų2015%0.15310%0.098CC..SBendtrans-152103.2-173.4-56.5-62.9000110.7Y237 L301 H303 W304Y237-H306 AromaticContact CD1-CE1 3.4Å; Y237-H306 WeakPolarHBondContact CD1-CE1 3.31Å; Y237-H306 AromaticContact CD1-ND1 3.71Å; Y237-H306 AromaticContact CE1-CE1 3.58Å; L301-H306 CarbonylContact C-O 3.55Å; L301-H306 VanDerWaalsContact C-O 3.27Å; L301-H306 HydrophobicContact CB-CB 3.98Å; L301-H306 VanDerWaalsContact CB-O 3.23Å; L301-H306 WeakPolarHBondContact CB-O 3.33Å; L301-H306 HydrophobicContact CD1-CB 3.67Å; L301-H306 HydrophobicContact CG-CB 4.48Å; L301-H306 VanDerWaalsContact O-O 3.1Å; H303-H306 PolarHBondContact N-O 3.37Å; H303-H306 CarbonylContact O-C 3.55Å; H303-H306 VanDerWaalsContact O-C 3.22Å; H303-H306 PolarHBondContact O-N 3.06Å; W304-H306 PolarHBondContact O-N 3.49Å
307G98.1Very high97.3Very high0 Ų019.7 Ų19.70%010%0.096CC..SBendtrans120.7-167.8176.600000114.2L301 H303 T309 G310 V311L301-G307 WeakPolarHBondContact O-CA 3.47Å; H303-G307 PolarHBondContact O-N 3.25Å; G307-T309 VanDerWaalsContact C-N 3.31Å; G307-T309 PolarHBondContact O-N 2.75Å; G307-G310 PolarHBondContact O-N 3.06Å; G307-G310 VanDerWaalsContact O-N 3.16Å; G307-V311 WeakPolarHBondContact O-CG2 3.45Å; G307-V311 PolarHBondContact O-N 3.07Å
308A98.5Very high97.7Very high0 Ų015.4 Ų15.40%07%0.073CC..Hα-helixtrans-52.6-42.6-169.700000114.4N287 W288 V302 G310 V311 I312 A337 V338N287-A308 WeakPolarHBondContact OD1-CB 3.43Å; N287-A308 PolarHBondContact OD1-N 3.18Å; W288-A308 HydrophobicContact CE3-CB 3.91Å; W288-A308 HydrophobicContact CZ3-CB 4.02Å; V302-A308 HydrophobicContact CG1-CB 4.43Å; A308-G310 PolarHBondContact O-N 2.92Å; A308-G310 VanDerWaalsContact O-N 3.12Å; A308-V311 PolarHBondContact O-N 3.09Å; A308-I312 HydrophobicContact CB-CD1 4.38Å; A308-I312 WeakPolarHBondContact O-CD1 3.42Å; A308-I312 VanDerWaalsContact O-CG1 3.29Å; A308-I312 WeakPolarHBondContact O-CG1 3.39Å; A308-I312 PolarHBondContact O-N 3.18Å; A308-A337 HydrophobicContact CB-CB 4.46Å; A308-V338 HydrophobicContact CB-CG2 4.01Å
309T98.6Very high98Very high3 Ų310.5 Ų10.52%0.0186%0.056CC..Hα-helixtrans-52.9-38-177.8-52.80000112.5V302 H303 W304 G307 G356 A360V302-T309 PolarHBondContact O-OG1 2.8Å; H303-T309 VanDerWaalsContact C-CB 3.48Å; W304-T309 HydrophobicContact CB-CG2 4.09Å; G307-T309 VanDerWaalsContact C-N 3.31Å; G307-T309 PolarHBondContact O-N 2.75Å; T309-G356 VanDerWaalsContact CG2-C 3.42Å; T309-G356 VanDerWaalsContact CG2-O 3.29Å; T309-G356 WeakPolarHBondContact CG2-O 3.42Å; T309-A360 HydrophobicContact CG2-CB 4Å
310G98.5Very high98.2Very high1 Ų112.1 Ų12.11%0.016%0.061CC..Hα-helixtrans-86.5-18177.500000114.9A245 W304 G307 A308A245-G310 WeakPolarHBondContact CB-O 3.2Å; W304-G310 WeakPolarHBondContact O-CA 3.24Å; G307-G310 PolarHBondContact O-N 3.06Å; G307-G310 VanDerWaalsContact O-N 3.16Å; A308-G310 PolarHBondContact O-N 2.92Å; A308-G310 VanDerWaalsContact O-N 3.12Å
311V98.8Very high98.3Very high0 Ų011.8 Ų11.80%06%0.058CC..Hα-helixtrans-93.8-26.7-177-176.60000112.1A245 M278 W288 G307 A308 L314 M315A245-V311 HydrophobicContact CB-CB 4.49Å; A245-V311 HydrophobicContact CB-CG2 3.98Å; M278-V311 HydrophobicContact CE-CG1 4.37Å; M278-V311 HydrophobicContact CE-CG2 4.29Å; W288-V311 HydrophobicContact CB-CG2 4.12Å; W288-V311 HydrophobicContact CD2-CB 3.93Å; W288-V311 HydrophobicContact CD2-CG1 3.71Å; W288-V311 HydrophobicContact CD2-CG2 4.09Å; W288-V311 VanDerWaalsContact CE2-CG1 3.49Å; W288-V311 HydrophobicContact CE3-CB 3.98Å; W288-V311 HydrophobicContact CE3-CG1 4.11Å; W288-V311 HydrophobicContact CE3-CG2 4.41Å; W288-V311 HydrophobicContact CG-CB 4.34Å; W288-V311 HydrophobicContact CG-CG1 4.19Å; W288-V311 HydrophobicContact CG-CG2 3.96Å; W288-V311 HydrophobicContact CH2-CG1 4.03Å; W288-V311 HydrophobicContact CZ2-CG1 3.68Å; W288-V311 HydrophobicContact CZ3-CB 4.28Å; W288-V311 HydrophobicContact CZ3-CG1 4.25Å; G307-V311 WeakPolarHBondContact O-CG2 3.45Å; G307-V311 PolarHBondContact O-N 3.07Å; A308-V311 PolarHBondContact O-N 3.09Å; V311-L314 VanDerWaalsContact O-CB 3.3Å; V311-L314 WeakPolarHBondContact O-CB 3.38Å; V311-L314 PolarHBondContact O-N 3.11Å; V311-L314 VanDerWaalsContact O-N 3.07Å; V311-M315 HydrophobicContact CG1-CE 4Å; V311-M315 HydrophobicContact CG1-CG 4.16Å; V311-M315 PolarHBondContact O-N 3.19Å; V311-M315 VanDerWaalsContact O-N 3.12Å
312I98.9Very high98.4Very high0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-52.6-49.5177-74.6159000112A308 L314 M315 L316 V338 A360 I364A308-I312 HydrophobicContact CB-CD1 4.38Å; A308-I312 WeakPolarHBondContact O-CD1 3.42Å; A308-I312 VanDerWaalsContact O-CG1 3.29Å; A308-I312 WeakPolarHBondContact O-CG1 3.39Å; A308-I312 PolarHBondContact O-N 3.18Å; I312-L314 PolarHBondContact O-N 2.89Å; I312-M315 PolarHBondContact O-N 3.07Å; I312-M315 VanDerWaalsContact O-N 3.12Å; I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.2Å; I312-L316 WeakPolarHBondContact O-CG 3.36Å; I312-L316 PolarHBondContact O-N 3.48Å; I312-V338 HydrophobicContact CD1-CG2 3.68Å; I312-A360 HydrophobicContact CB-CB 4.42Å; I312-A360 HydrophobicContact CD1-CB 3.91Å; I312-A360 HydrophobicContact CG2-CB 4.43Å; I312-I364 HydrophobicContact CD1-CD1 4.28Å; I312-I364 HydrophobicContact CG2-CD1 3.94Å; I312-I364 HydrophobicContact CG2-CG1 3.68Å
313P98.8Very high98.4Very high10 Ų1014.6 Ų14.67%0.0659%0.087CC..Hα-helixtrans-58.8-34177.7-26.936.6000113.8T249 S317 E363T249-P313 HydrophobicContact CG2-CB 4.25Å; P313-S317 VanDerWaalsContact O-CB 3.22Å; P313-S317 WeakPolarHBondContact O-CB 3.5Å; P313-S317 PolarHBondContact O-N 3.14Å; P313-S317 PolarHBondContact O-OG 3.05Å; P313-E363 WeakPolarHBondContact CA-OE1 3.28Å; P313-E363 WeakPolarHBondContact CB-OE1 3.34Å
314L98.9Very high98.5Very high0 Ų018.2 Ų18.20%010%0.104CC..Hα-helixtrans-63.1-51175.217660.3000110.7A245 L248 T249 L252 V275 M278 V311 I312 S317 A318A245-L314 HydrophobicContact CB-CD2 4.47Å; L248-L314 HydrophobicContact CB-CD1 3.47Å; L248-L314 VanDerWaalsContact CB-CD1 3.47Å; L248-L314 HydrophobicContact CB-CD2 4.1Å; L248-L314 HydrophobicContact CB-CG 4.44Å; L248-L314 HydrophobicContact CD1-CD2 3.96Å; T249-L314 VanDerWaalsContact OG1-CA 3.29Å; T249-L314 WeakPolarHBondContact OG1-CA 3.46Å; T249-L314 WeakPolarHBondContact OG1-CB 3.36Å; T249-L314 PolarHBondContact OG1-N 2.97Å; L252-L314 HydrophobicContact CD1-CD1 3.9Å; V275-L314 HydrophobicContact CG1-CD1 4.38Å; V275-L314 HydrophobicContact CG1-CG 4.35Å; V275-L314 HydrophobicContact CG2-CD1 4.02Å; M278-L314 HydrophobicContact CB-CD2 4.2Å; M278-L314 HydrophobicContact CE-CD2 4.34Å; M278-L314 HydrophobicContact CG-CD2 4.29Å; V311-L314 VanDerWaalsContact O-CB 3.3Å; V311-L314 WeakPolarHBondContact O-CB 3.38Å; V311-L314 PolarHBondContact O-N 3.11Å; V311-L314 VanDerWaalsContact O-N 3.07Å; I312-L314 PolarHBondContact O-N 2.89Å; L314-S317 PolarHBondContact O-N 2.6Å; L314-A318 WeakPolarHBondContact O-CB 3.35Å; L314-A318 PolarHBondContact O-N 3Å
315M98.9Very high98.5Very high0 Ų023.5 Ų23.50%013%0.133CC..Hα-helixtrans-64.2-41.7-177.7-65.8-59.2122.500111.5V275 M278 W288 V311 I312 A318 H319 Y327 C330 A331V275-M315 HydrophobicContact CG1-CE 4.33Å; M278-M315 HydrophobicContact CB-CE 4.13Å; W288-M315 HydrophobicContact CH2-CG 4.28Å; W288-M315 HydrophobicContact CZ2-CG 4.16Å; V311-M315 HydrophobicContact CG1-CE 4Å; V311-M315 HydrophobicContact CG1-CG 4.16Å; V311-M315 PolarHBondContact O-N 3.19Å; V311-M315 VanDerWaalsContact O-N 3.12Å; I312-M315 PolarHBondContact O-N 3.07Å; I312-M315 VanDerWaalsContact O-N 3.12Å; M315-A318 PolarHBondContact O-N 3.05Å; M315-H319 WeakPolarHBondContact O-CB 3.4Å; M315-H319 PolarHBondContact O-N 3.04Å; M315-Y327 WeakPolarHBondContact CB-O 3.44Å; M315-Y327 VanDerWaalsContact O-CB 3.27Å; M315-Y327 WeakPolarHBondContact O-CB 3.39Å; M315-Y327 HydrophobicContact SD-CD1 4.11Å; M315-C330 HydrophobicContact CB-CB 4.47Å; M315-C330 HydrophobicContact CG-CB 3.95Å; M315-C330 HydrophobicContact SD-CB 3.94Å; M315-A331 HydrophobicContact CB-CB 3.86Å
316L98.9Very high98.5Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-65-40.7175.1-64.3174.7000112I312 H319 K320 L328 A331 E363 I364 T367I312-L316 HydrophobicContact CG2-CD1 3.71Å; I312-L316 HydrophobicContact CG2-CG 4.2Å; I312-L316 WeakPolarHBondContact O-CG 3.36Å; I312-L316 PolarHBondContact O-N 3.48Å; L316-H319 WeakPolarHBondContact O-CB 3.2Å; L316-H319 PolarHBondContact O-N 2.62Å; L316-K320 WeakPolarHBondContact O-CG 3.45Å; L316-K320 PolarHBondContact O-N 2.93Å; L316-L328 HydrophobicContact CD2-CD1 4.06Å; L316-A331 HydrophobicContact CD2-CB 3.48Å; L316-A331 VanDerWaalsContact CD2-CB 3.48Å; L316-A331 HydrophobicContact CG-CB 3.78Å; L316-E363 HydrophobicContact CD1-CB 4.01Å; L316-E363 HydrophobicContact CD1-CG 3.83Å; L316-I364 HydrophobicContact CD1-CG1 3.97Å; L316-T367 HydrophobicContact CD2-CG2 3.98Å
317S98.8Very high98.6Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-65.2-41.1176.5-61.60000112P313 L314 K320 I321 G428 L429P313-S317 VanDerWaalsContact O-CB 3.22Å; P313-S317 WeakPolarHBondContact O-CB 3.5Å; P313-S317 PolarHBondContact O-N 3.14Å; P313-S317 PolarHBondContact O-OG 3.05Å; L314-S317 PolarHBondContact O-N 2.6Å; S317-K320 PolarHBondContact O-N 3.42Å; S317-I321 PolarHBondContact O-N 2.95Å; S317-G428 WeakPolarHBondContact OG-CA 3.47Å; S317-L429 PolarHBondContact OG-N 2.93Å; S317-L429 VanDerWaalsContact OG-N 3.13Å
318A98.8Very high98.6Very high0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-62.7-42.8174.800000111.8L252 V275 L314 M315 I321 T322 Y327L252-A318 HydrophobicContact CD1-CB 4.15Å; V275-A318 HydrophobicContact CG1-CB 3.61Å; L314-A318 WeakPolarHBondContact O-CB 3.35Å; L314-A318 PolarHBondContact O-N 3Å; M315-A318 PolarHBondContact O-N 3.05Å; A318-I321 PolarHBondContact O-N 3.09Å; A318-T322 WeakPolarHBondContact O-CB 3.23Å; A318-T322 WeakPolarHBondContact O-CG2 3.32Å; A318-T322 PolarHBondContact O-N 3.31Å; A318-T322 PolarHBondContact O-OG1 2.98Å; A318-Y327 HydrophobicContact CB-CD1 3.95Å; A318-Y327 HydrophobicContact CB-CD2 3.82Å; A318-Y327 HydrophobicContact CB-CE1 4.29Å; A318-Y327 HydrophobicContact CB-CE2 4.17Å; A318-Y327 HydrophobicContact CB-CG 3.7Å
319H98.8Very high98.7Very high33 Ų3332.4 Ų32.415%0.15317%0.171CC..Hα-helixtrans-58.3-47.7172.517564.2000111.8M315 L316 I321 T322 G323 E324 L328M315-H319 WeakPolarHBondContact O-CB 3.4Å; M315-H319 PolarHBondContact O-N 3.04Å; L316-H319 WeakPolarHBondContact O-CB 3.2Å; L316-H319 PolarHBondContact O-N 2.62Å; H319-I321 VanDerWaalsContact C-N 3.27Å; H319-I321 PolarHBondContact O-N 2.96Å; H319-T322 PolarHBondContact O-N 3.28Å; H319-G323 VanDerWaalsContact O-CA 3.3Å; H319-G323 WeakPolarHBondContact O-CA 3.39Å; H319-G323 PolarHBondContact O-N 3.22Å; H319-E324 PolarHBondContact ND1-O 2.9Å; H319-L328 HydrophobicContact CB-CB 4.34Å
320K98.5Very high98.7Very high69 Ų6933 Ų3330%0.318%0.175SC..Hα-helixtrans-63.3-28.3179-74.8170.2176.1171.20113.9L316 S317 T367 L429L316-K320 WeakPolarHBondContact O-CG 3.45Å; L316-K320 PolarHBondContact O-N 2.93Å; S317-K320 PolarHBondContact O-N 3.42Å; K320-T367 VanDerWaalsContact CE-OG1 3.25Å; K320-T367 WeakPolarHBondContact CE-OG1 3.33Å; K320-T367 PolarHBondContact NZ-OG1 3.33Å; K320-L429 HydrophobicContact CB-CB 4.46Å; K320-L429 HydrophobicContact CB-CD1 4.23Å; K320-L429 HydrophobicContact CD-CB 3.82Å; K320-L429 PolarHBondContact NZ-O 3.23Å
321I98.1Very high98.7Very high41 Ų4133 Ų3321%0.2118%0.175CC..Hα-helixtrans-83-44.5176.9-77.7170.5000112L252 Y255 L267 S317 A318 H319 L429L252-I321 HydrophobicContact CB-CD1 3.58Å; L252-I321 HydrophobicContact CD1-CD1 4.29Å; L252-I321 HydrophobicContact CD2-CD1 3.55Å; L252-I321 HydrophobicContact CG-CD1 3.95Å; Y255-I321 HydrophobicContact CD1-CD1 4.25Å; L267-I321 HydrophobicContact CD2-CG2 4.35Å; S317-I321 PolarHBondContact O-N 2.95Å; A318-I321 PolarHBondContact O-N 3.09Å; H319-I321 VanDerWaalsContact C-N 3.27Å; H319-I321 PolarHBondContact O-N 2.96Å; I321-L429 HydrophobicContact CD1-CD1 3.65Å; I321-L429 HydrophobicContact CG1-CD1 3.54Å
322T98.2Very high98.7Very high42 Ų4235 Ų3526%0.25819%0.186SC..Hα-helixtrans-96.1-23.7-168.960.90000113.6L272 A318 H319 E324 Y327L272-T322 HydrophobicContact CD1-CG2 3.81Å; L272-T322 HydrophobicContact CD2-CG2 3.78Å; L272-T322 HydrophobicContact CG-CG2 4.46Å; A318-T322 WeakPolarHBondContact O-CB 3.23Å; A318-T322 WeakPolarHBondContact O-CG2 3.32Å; A318-T322 PolarHBondContact O-N 3.31Å; A318-T322 PolarHBondContact O-OG1 2.98Å; H319-T322 PolarHBondContact O-N 3.28Å; T322-E324 PolarHBondContact O-N 3.41Å; T322-E324 PolarHBondContact OG1-N 3.47Å; T322-E324 VanDerWaalsContact OG1-N 3.15Å; T322-Y327 HydrophobicContact CG2-CE2 4.05Å; T322-Y327 WeakPolarHBondContact OG1-CD2 3.43Å; T322-Y327 WeakPolarHBondContact OG1-CE2 3.3Å
323G98.2Very high98.7Very high54 Ų5437.3 Ų37.356%0.55720%0.198SC*.  trans72.12.2-167.500000114H319 N325H319-G323 VanDerWaalsContact O-CA 3.3Å; H319-G323 WeakPolarHBondContact O-CA 3.39Å; H319-G323 PolarHBondContact O-N 3.22Å; G323-N325 PolarHBondContact O-N 3.38Å
324E98.5Very high98.7Very high81 Ų8136.8 Ų36.838%0.37920%0.195SC..  trans-76.4127.4-176-68.5-174.1-109.800111.8H319 T322 K326 Y327H319-E324 PolarHBondContact ND1-O 2.9Å; T322-E324 PolarHBondContact O-N 3.41Å; T322-E324 PolarHBondContact OG1-N 3.47Å; T322-E324 VanDerWaalsContact OG1-N 3.15Å; E324-K326 VanDerWaalsContact C-N 3.27Å; E324-K326 HydrophobicContact CB-CG 4.26Å; E324-K326 PolarHBondContact O-N 3.41Å; E324-K326 IonicContact OE1-NZ 2.83Å; E324-K326 WeakPolarHBondContact OE2-CD 3.37Å; E324-K326 WeakPolarHBondContact OE2-CE 3.46Å; E324-K326 IonicContact OE2-NZ 3.61Å; E324-K326 PolarHBondContact OE2-NZ 3.06Å; E324-Y327 HydrophobicContact CB-CD2 3.83Å; E324-Y327 HydrophobicContact CB-CE2 3.87Å; E324-Y327 HydrophobicContact CG-CE2 4.4Å
325N98.4Very high98.7Very high117 Ų11736.8 Ų36.863%0.62620%0.195SC*.Hα-helixtrans-71-18.1-179.4-77.1-27.7000114G323 Y327 L328 K329G323-N325 PolarHBondContact O-N 3.38Å; N325-Y327 VanDerWaalsContact C-N 3.3Å; N325-Y327 PolarHBondContact O-N 3.11Å; N325-L328 PolarHBondContact O-N 3.32Å; N325-K329 WeakPolarHBondContact O-CB 3.12Å; N325-K329 PolarHBondContact O-N 2.84Å
326K98.6Very high98.7Very high81 Ų8138.6 Ų38.635%0.35220%0.203SC..Hα-helixtrans-61.3-39.9178.172.1-173.3-176.8-169.60111.8D276 E324 K329 C330D276-K326 VanDerWaalsContact OD1-CE 3.3Å; D276-K326 WeakPolarHBondContact OD1-CE 2.94Å; D276-K326 IonicContact OD1-NZ 2.7Å; D276-K326 PolarHBondContact OD1-NZ 2.95Å; E324-K326 VanDerWaalsContact C-N 3.27Å; E324-K326 HydrophobicContact CB-CG 4.26Å; E324-K326 PolarHBondContact O-N 3.41Å; E324-K326 IonicContact OE1-NZ 2.83Å; E324-K326 WeakPolarHBondContact OE2-CD 3.37Å; E324-K326 WeakPolarHBondContact OE2-CE 3.46Å; E324-K326 IonicContact OE2-NZ 3.61Å; E324-K326 PolarHBondContact OE2-NZ 3.06Å; K326-K329 PolarHBondContact O-N 3.17Å; K326-C330 PolarHBondContact O-N 3.17Å; K326-C330 PolarHBondContact O-SG 3.2Å
327Y98.8Very high98.6Very high4 Ų438.7 Ų38.72%0.01620%0.204CC..Hα-helixtrans-70.4-41.4177.8-55-62.2000111.1V275 M315 A318 T322 E324 N325 K329 C330 A331V275-Y327 HydrophobicContact CG1-CD1 4.27Å; V275-Y327 HydrophobicContact CG1-CE1 3.85Å; M315-Y327 WeakPolarHBondContact CB-O 3.44Å; M315-Y327 VanDerWaalsContact O-CB 3.27Å; M315-Y327 WeakPolarHBondContact O-CB 3.39Å; M315-Y327 HydrophobicContact SD-CD1 4.11Å; A318-Y327 HydrophobicContact CB-CD1 3.95Å; A318-Y327 HydrophobicContact CB-CD2 3.82Å; A318-Y327 HydrophobicContact CB-CE1 4.29Å; A318-Y327 HydrophobicContact CB-CE2 4.17Å; A318-Y327 HydrophobicContact CB-CG 3.7Å; T322-Y327 HydrophobicContact CG2-CE2 4.05Å; T322-Y327 WeakPolarHBondContact OG1-CD2 3.43Å; T322-Y327 WeakPolarHBondContact OG1-CE2 3.3Å; E324-Y327 HydrophobicContact CB-CD2 3.83Å; E324-Y327 HydrophobicContact CB-CE2 3.87Å; E324-Y327 HydrophobicContact CG-CE2 4.4Å; N325-Y327 VanDerWaalsContact C-N 3.3Å; N325-Y327 PolarHBondContact O-N 3.11Å; Y327-K329 VanDerWaalsContact C-N 3.31Å; Y327-K329 PolarHBondContact O-N 3.39Å; Y327-C330 WeakPolarHBondContact O-CB 3.09Å; Y327-C330 PolarHBondContact O-N 2.83Å; Y327-A331 PolarHBondContact O-N 3.23Å
328L98.8Very high98.6Very high31 Ų3138.7 Ų38.716%0.16220%0.204CC..Hα-helixtrans-58-47.1173.3178.858.4000110.5L316 H319 N325 C330 A331 L332 T368L316-L328 HydrophobicContact CD2-CD1 4.06Å; H319-L328 HydrophobicContact CB-CB 4.34Å; N325-L328 PolarHBondContact O-N 3.32Å; L328-C330 VanDerWaalsContact C-N 3.35Å; L328-C330 PolarHBondContact O-N 2.98Å; L328-A331 WeakPolarHBondContact O-CB 3.32Å; L328-A331 PolarHBondContact O-N 2.91Å; L328-A331 VanDerWaalsContact O-N 3.08Å; L328-L332 HydrophobicContact CD1-CD2 4.27Å; L328-L332 HydrophobicContact CD1-CG 4.22Å; L328-L332 HydrophobicContact CG-CD1 4.29Å; L328-L332 HydrophobicContact CG-CG 4.38Å; L328-L332 WeakPolarHBondContact O-CG 3.05Å; L328-L332 PolarHBondContact O-N 3.12Å; L328-T368 HydrophobicContact CD1-CG2 3.8Å
329K98.8Very high98.6Very high114 Ų11439.7 Ų39.750%0.49621%0.208SC..Hα-helixtrans-56.3-46.7176.717955.2177.9154.80112N325 K326 Y327 A331 L332 D333N325-K329 WeakPolarHBondContact O-CB 3.12Å; N325-K329 PolarHBondContact O-N 2.84Å; K326-K329 PolarHBondContact O-N 3.17Å; Y327-K329 VanDerWaalsContact C-N 3.31Å; Y327-K329 PolarHBondContact O-N 3.39Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 2.87Å; K329-L332 PolarHBondContact O-N 2.99Å; K329-D333 WeakPolarHBondContact CE-OD1 3.45Å; K329-D333 WeakPolarHBondContact CE-OD2 3.25Å; K329-D333 IonicContact NZ-OD1 2.68Å; K329-D333 PolarHBondContact NZ-OD1 2.93Å; K329-D333 IonicContact NZ-OD2 3.33Å; K329-D333 PolarHBondContact NZ-OD2 3.39Å; K329-D333 PolarHBondContact O-N 3.34Å
330C98.8Very high98.5Very high15 Ų1540.4 Ų40.410%0.10122%0.215CC..Hα-helixtrans-57.3-44.9174.1-72.40000112.4Q282 W288 M315 K326 Y327 L328 L332 D333 G334Q282-C330 PolarHBondContact NE2-O 3.41Å; Q282-C330 PolarHBondContact OE1-SG 3Å; W288-C330 HydrophobicContact CH2-CB 4.25Å; W288-C330 WeakPolarHBondContact CH2-O 3.4Å; W288-C330 HydrophobicContact CZ2-CB 4.2Å; M315-C330 HydrophobicContact CB-CB 4.47Å; M315-C330 HydrophobicContact CG-CB 3.95Å; M315-C330 HydrophobicContact SD-CB 3.94Å; K326-C330 PolarHBondContact O-N 3.17Å; K326-C330 PolarHBondContact O-SG 3.2Å; Y327-C330 WeakPolarHBondContact O-CB 3.09Å; Y327-C330 PolarHBondContact O-N 2.83Å; L328-C330 VanDerWaalsContact C-N 3.35Å; L328-C330 PolarHBondContact O-N 2.98Å; C330-L332 PolarHBondContact O-N 3.37Å; C330-D333 PolarHBondContact O-N 2.82Å; C330-G334 PolarHBondContact O-N 3.5Å
331A98.9Very high98.5Very high0 Ų037.3 Ų37.30%020%0.201CC..Hα-helixtrans-61.9-41.7177.300000112.3M315 L316 Y327 L328 K329 G334 G335 I364M315-A331 HydrophobicContact CB-CB 3.86Å; L316-A331 HydrophobicContact CD2-CB 3.48Å; L316-A331 VanDerWaalsContact CD2-CB 3.48Å; L316-A331 HydrophobicContact CG-CB 3.78Å; Y327-A331 PolarHBondContact O-N 3.23Å; L328-A331 WeakPolarHBondContact O-CB 3.32Å; L328-A331 PolarHBondContact O-N 2.91Å; L328-A331 VanDerWaalsContact O-N 3.08Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 2.87Å; A331-G334 PolarHBondContact O-N 3.2Å; A331-G335 PolarHBondContact O-N 3.49Å; A331-I364 WeakPolarHBondContact O-CD1 3.48Å
332L98.9Very high98.5Very high44 Ų4435.3 Ų35.323%0.2319%0.191CC..Hα-helixtrans-64.7-43.3177.6-61.6179.8000111.8L328 K329 C330 G334 G335 E336 I364 T368 Y373L328-L332 HydrophobicContact CD1-CD2 4.27Å; L328-L332 HydrophobicContact CD1-CG 4.22Å; L328-L332 HydrophobicContact CG-CD1 4.29Å; L328-L332 HydrophobicContact CG-CG 4.38Å; L328-L332 WeakPolarHBondContact O-CG 3.05Å; L328-L332 PolarHBondContact O-N 3.12Å; K329-L332 PolarHBondContact O-N 2.99Å; C330-L332 PolarHBondContact O-N 3.37Å; L332-G334 VanDerWaalsContact C-N 3.32Å; L332-G334 PolarHBondContact O-N 3.44Å; L332-G335 WeakPolarHBondContact O-CA 3.15Å; L332-G335 PolarHBondContact O-N 3.21Å; L332-E336 PolarHBondContact O-N 2.84Å; L332-I364 HydrophobicContact CD2-CG2 3.63Å; L332-T368 HydrophobicContact CD2-CG2 4.09Å; L332-Y373 HydrophobicContact CD2-CE2 3.87Å; L332-Y373 WeakPolarHBondContact CD2-OH 3.31Å
333D98.8Very high98.4Very high47 Ų4733.4 Ų33.425%0.25118%0.179SC..Hα-helixtrans-64.1-39176.2-68.1-21.1000111G286 K329 C330 G335 E336 A337G286-D333 WeakPolarHBondContact CA-O 3.16Å; K329-D333 WeakPolarHBondContact CE-OD1 3.45Å; K329-D333 WeakPolarHBondContact CE-OD2 3.25Å; K329-D333 IonicContact NZ-OD1 2.68Å; K329-D333 PolarHBondContact NZ-OD1 2.93Å; K329-D333 IonicContact NZ-OD2 3.33Å; K329-D333 PolarHBondContact NZ-OD2 3.39Å; K329-D333 PolarHBondContact O-N 3.34Å; C330-D333 PolarHBondContact O-N 2.82Å; D333-G335 VanDerWaalsContact C-N 3.31Å; D333-G335 PolarHBondContact O-N 3.38Å; D333-E336 PolarHBondContact O-N 2.73Å; D333-A337 PolarHBondContact O-N 3.43Å
334G98.8Very high98.3Very high0 Ų030.9 Ų30.90%015%0.153CC..Hα-helixtrans-59.5-40.5168.800000112.8G286 C330 A331 L332 E336 A337 V338G286-G334 VanDerWaalsContact O-CA 3.29Å; G286-G334 WeakPolarHBondContact O-CA 3.3Å; C330-G334 PolarHBondContact O-N 3.5Å; A331-G334 PolarHBondContact O-N 3.2Å; L332-G334 VanDerWaalsContact C-N 3.32Å; L332-G334 PolarHBondContact O-N 3.44Å; G334-E336 VanDerWaalsContact C-N 3.29Å; G334-E336 PolarHBondContact O-N 3.31Å; G334-A337 WeakPolarHBondContact O-CB 3.4Å; G334-A337 PolarHBondContact O-N 3.3Å; G334-V338 WeakPolarHBondContact O-CG2 3.34Å; G334-V338 PolarHBondContact O-N 3Å
335G98.8Very high98.1Very high0 Ų029.2 Ų29.20%015%0.145CC..Hα-helixtrans-61.4-33.517500000113.4A331 L332 D333 W339A331-G335 PolarHBondContact O-N 3.49Å; L332-G335 WeakPolarHBondContact O-CA 3.15Å; L332-G335 PolarHBondContact O-N 3.21Å; D333-G335 VanDerWaalsContact C-N 3.31Å; D333-G335 PolarHBondContact O-N 3.38Å; G335-W339 WeakPolarHBondContact O-CB 3.32Å; G335-W339 PolarHBondContact O-N 3.14Å
336E98.6Very high97.9Very high37 Ų3726.6 Ų26.617%0.17313%0.128CC..Hα-helixtrans-70.2-39.4173.2-61.9-52.7136.800111.9M1 L332 D333 G334 W339 T340 K372 R376M1-E336 HydrophobicContact CE-CB 4.08Å; M1-E336 HydrophobicContact CE-CG 4.47Å; L332-E336 PolarHBondContact O-N 2.84Å; D333-E336 PolarHBondContact O-N 2.73Å; G334-E336 VanDerWaalsContact C-N 3.29Å; G334-E336 PolarHBondContact O-N 3.31Å; E336-W339 PolarHBondContact O-N 2.94Å; E336-T340 WeakPolarHBondContact O-CB 3.31Å; E336-T340 PolarHBondContact O-N 3.43Å; E336-T340 PolarHBondContact O-OG1 3.48Å; E336-K372 IonicContact OE1-NZ 3.56Å; E336-K372 PolarHBondContact OE1-NZ 3.43Å; E336-R376 IonicContact OE1-CZ 2.8Å; E336-R376 IonicContact OE1-NH1 2.62Å; E336-R376 PolarHBondContact OE1-NH1 3.35Å; E336-R376 IonicContact OE1-NH2 3.49Å; E336-R376 PolarHBondContact OE1-NH2 3.43Å; E336-R376 IonicContact OE2-CZ 2.93Å; E336-R376 IonicContact OE2-NH1 3.74Å; E336-R376 PolarHBondContact OE2-NH1 2.95Å; E336-R376 VanDerWaalsContact OE2-NH1 3.12Å; E336-R376 IonicContact OE2-NH2 2.76Å; E336-R376 PolarHBondContact OE2-NH2 2.84Å
337A98.3Very high97.7Very high3 Ų322.9 Ų22.93%0.02511%0.113CC..Hα-helixtrans-61.9-45.3172.500000111.5N287 A308 D333 G334 T340 R341N287-A337 HydrophobicContact CB-CB 4.2Å; A308-A337 HydrophobicContact CB-CB 4.46Å; D333-A337 PolarHBondContact O-N 3.43Å; G334-A337 WeakPolarHBondContact O-CB 3.4Å; G334-A337 PolarHBondContact O-N 3.3Å; A337-T340 PolarHBondContact O-N 3.12Å; A337-R341 WeakPolarHBondContact O-CB 3.41Å; A337-R341 PolarHBondContact O-N 2.8Å
338V98.6Very high97.6Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-64.4-43.7177.4173.80000111.4V302 A308 I312 G334 T340 R341 G342 S357 L361 F380V302-V338 HydrophobicContact CG1-CG2 3.9Å; A308-V338 HydrophobicContact CB-CG2 4.01Å; I312-V338 HydrophobicContact CD1-CG2 3.68Å; G334-V338 WeakPolarHBondContact O-CG2 3.34Å; G334-V338 PolarHBondContact O-N 3Å; V338-T340 VanDerWaalsContact C-N 3.3Å; V338-T340 PolarHBondContact O-N 3.27Å; V338-R341 PolarHBondContact O-N 3.22Å; V338-G342 WeakPolarHBondContact O-CA 3.18Å; V338-G342 PolarHBondContact O-N 3.35Å; V338-S357 WeakPolarHBondContact CG1-O 3.49Å; V338-L361 HydrophobicContact CB-CD2 4.38Å; V338-L361 HydrophobicContact CG1-CD1 4.04Å; V338-L361 HydrophobicContact CG1-CD2 4.16Å; V338-L361 HydrophobicContact CG1-CG 3.83Å; V338-F380 HydrophobicContact CG1-CE1 4.46Å; V338-F380 WeakPolarHBondContact O-CZ 3.18Å
339W98.6Very high97.5Very high20 Ų2021.4 Ų21.48%0.07611%0.106CC..Hα-helixtrans-58.2-44.8175.5174.3-118000111.7N12 F14 D16 G335 E336 Y375 R376 K379 F380N12-W339 WeakPolarHBondContact ND2-CZ2 3.09Å; N12-W339 WeakPolarHBondContact ND2-CZ3 3.14Å; N12-W339 PolarHBondContact ND2-O 3.43Å; F14-W339 HydrophobicContact CB-CH2 3.87Å; F14-W339 HydrophobicContact CB-CZ2 4.43Å; D16-W339 HydrophobicContact CB-CZ2 3.97Å; D16-W339 PolarHBondContact OD2-NE1 3.3Å; G335-W339 WeakPolarHBondContact O-CB 3.32Å; G335-W339 PolarHBondContact O-N 3.14Å; E336-W339 PolarHBondContact O-N 2.94Å; W339-Y375 HydrophobicContact CH2-CE1 4.4Å; W339-R376 HydrophobicContact CD2-CB 4.4Å; W339-R376 HydrophobicContact CD2-CG 3.73Å; W339-R376 HydrophobicContact CE3-CB 3.54Å; W339-R376 HydrophobicContact CE3-CG 3.33Å; W339-R376 HydrophobicContact CG-CG 4.44Å; W339-R376 VanDerWaalsContact CG-CZ 3.43Å; W339-R376 HydrophobicContact CH2-CG 4.08Å; W339-R376 HydrophobicContact CZ2-CG 4.44Å; W339-R376 HydrophobicContact CZ3-CB 3.67Å; W339-R376 HydrophobicContact CZ3-CG 3.53Å; W339-K379 HydrophobicContact CH2-CB 4.32Å; W339-K379 HydrophobicContact CH2-CG 4.32Å; W339-K379 HydrophobicContact CZ3-CB 4.14Å; W339-F380 HydrophobicContact CE3-CD2 4.31Å; W339-F380 AromaticContact CE3-CE2 3.6Å; W339-F380 HydrophobicContact CE3-CE2 3.6Å; W339-F380 HydrophobicContact CZ3-CD2 4.19Å; W339-F380 AromaticContact CZ3-CE2 3.83Å; W339-F380 HydrophobicContact CZ3-CE2 3.83Å
340T97.5Very high97.5Very high49 Ų4916 Ų1630%0.3018%0.083SC..Hα-helixtrans-71.6-38.4-175.8-53.40000112.3E336 A337 V338E336-T340 WeakPolarHBondContact O-CB 3.31Å; E336-T340 PolarHBondContact O-N 3.43Å; E336-T340 PolarHBondContact O-OG1 3.48Å; A337-T340 PolarHBondContact O-N 3.12Å; V338-T340 VanDerWaalsContact C-N 3.3Å; V338-T340 PolarHBondContact O-N 3.27Å
341R97.4Very high97.4Very high3 Ų315.3 Ų15.31%0.0118%0.078CC..Hα-helixtrans-127.93.8-163.8-61.4164.459.5-166.72.3114.5D6 H9 D299 V300 V302 A337 V338 L343 L344D6-R341 IonicContact OD2-CZ 3.4Å; D6-R341 IonicContact OD2-NE 3.5Å; D6-R341 PolarHBondContact OD2-NE 2.92Å; D6-R341 IonicContact OD2-NH2 3.89Å; D6-R341 PolarHBondContact OD2-NH2 2.73Å; H9-R341 HydrophobicContact CB-CB 4.39Å; H9-R341 WeakPolarHBondContact CB-O 3.4Å; D299-R341 VanDerWaalsContact CG-NH1 3.27Å; D299-R341 PolarHBondContact O-NH2 3.33Å; D299-R341 IonicContact OD1-CZ 2.8Å; D299-R341 IonicContact OD1-NH1 2.71Å; D299-R341 PolarHBondContact OD1-NH1 3.45Å; D299-R341 IonicContact OD1-NH2 3.88Å; D299-R341 PolarHBondContact OD1-NH2 3.47Å; D299-R341 IonicContact OD2-NH1 3.34Å; D299-R341 PolarHBondContact OD2-NH1 3.39Å; V300-R341 PolarHBondContact O-NH2 3.44Å; V300-R341 VanDerWaalsContact O-NH2 3.13Å; V302-R341 HydrophobicContact CB-CB 4.45Å; V302-R341 HydrophobicContact CG2-CB 3.92Å; A337-R341 WeakPolarHBondContact O-CB 3.41Å; A337-R341 PolarHBondContact O-N 2.8Å; V338-R341 PolarHBondContact O-N 3.22Å; R341-L343 VanDerWaalsContact C-N 3.33Å; R341-L343 PolarHBondContact O-N 3.38Å; R341-L344 VanDerWaalsContact O-CD2 3.28Å; R341-L344 WeakPolarHBondContact O-CD2 3.27Å
342G97.9Very high97.3Very high0 Ų016.4 Ų16.40%08%0.083CC..  trans-83.5-2.8-172.700000115V338 L344 S354 S357 F380V338-G342 WeakPolarHBondContact O-CA 3.18Å; V338-G342 PolarHBondContact O-N 3.35Å; G342-L344 WeakPolarHBondContact O-CG 3.41Å; G342-L344 PolarHBondContact O-N 3.33Å; G342-S354 WeakPolarHBondContact O-CA 3.28Å; G342-S354 PolarHBondContact O-OG 3Å; G342-S357 WeakPolarHBondContact CA-OG 3.25Å; G342-S357 WeakPolarHBondContact O-CB 3.22Å; G342-S357 PolarHBondContact O-OG 3.36Å; G342-F380 WeakPolarHBondContact O-CE1 3.47Å
343L97.2Very high97.2Very high1 Ų114.4 Ų14.41%0.0057%0.073CC..SBendtrans-85.193.3169.9-58.4-173.8000108.9H9 F10 N12 P13 F14 R341 S354 F380 W383H9-L343 CarbonylContact C-O 3.22Å; H9-L343 VanDerWaalsContact CA-O 3.29Å; H9-L343 WeakPolarHBondContact CA-O 3.06Å; H9-L343 WeakPolarHBondContact CB-O 3.39Å; F10-L343 HydrophobicContact CB-CB 4.36Å; F10-L343 WeakPolarHBondContact CD2-O 3.31Å; F10-L343 PolarHBondContact N-O 3.12Å; N12-L343 HydrophobicContact CB-CD1 4.3Å; P13-L343 VanDerWaalsContact CD-CD1 3.48Å; F14-L343 HydrophobicContact CD2-CD1 4.22Å; F14-L343 HydrophobicContact CE2-CD1 3.99Å; R341-L343 VanDerWaalsContact C-N 3.33Å; R341-L343 PolarHBondContact O-N 3.38Å; L343-S354 WeakPolarHBondContact CA-OG 3.36Å; L343-F380 HydrophobicContact CD2-CD1 3.79Å; L343-F380 HydrophobicContact CD2-CD2 4.08Å; L343-F380 HydrophobicContact CD2-CE1 3.69Å; L343-F380 HydrophobicContact CD2-CE2 3.97Å; L343-F380 HydrophobicContact CD2-CG 4Å; L343-F380 HydrophobicContact CD2-CZ 3.78Å; L343-F380 HydrophobicContact CG-CE1 4.36Å; L343-F380 HydrophobicContact CG-CE2 4.44Å; L343-F380 HydrophobicContact CG-CZ 4.13Å; L343-W383 HydrophobicContact CB-CD2 4.46Å; L343-W383 HydrophobicContact CB-CZ2 4.31Å; L343-W383 HydrophobicContact CD1-CD2 3.87Å; L343-W383 HydrophobicContact CD1-CE3 3.74Å; L343-W383 HydrophobicContact CD1-CG 4.41Å; L343-W383 HydrophobicContact CD1-CZ3 4.08Å; L343-W383 HydrophobicContact CD2-CB 4.05Å; L343-W383 HydrophobicContact CD2-CD2 3.95Å; L343-W383 HydrophobicContact CD2-CG 3.67Å; L343-W383 HydrophobicContact CG-CD2 4.32Å
344L96.1Very high97.1Very high2 Ų212.2 Ų12.21%0.016%0.061CC..BIsolated β-bridgetrans-92.7142-160.5-60.1172.3000113H9 F10 H303 R341 G342 K346 G347 H352 S354H9-L344 HydrophobicContact CB-CD2 4.34Å; F10-L344 WeakPolarHBondContact CE2-O 3.45Å; H303-L344 WeakPolarHBondContact CD2-CD1 3.33Å; R341-L344 VanDerWaalsContact O-CD2 3.28Å; R341-L344 WeakPolarHBondContact O-CD2 3.27Å; G342-L344 WeakPolarHBondContact O-CG 3.41Å; G342-L344 PolarHBondContact O-N 3.33Å; L344-K346 PolarHBondContact O-N 3.24Å; L344-K346 VanDerWaalsContact O-N 3.12Å; L344-G347 PolarHBondContact O-N 3.36Å; L344-H352 VanDerWaalsContact CD1-C 3.49Å; L344-H352 WeakPolarHBondContact CD1-O 3.49Å; L344-S354 PolarHBondContact N-OG 2.73Å; L344-S354 VanDerWaalsContact N-OG 3.1Å
345H94.5Very high97.1Very high46 Ų4612.2 Ų12.221%0.2136%0.061CC..THydrogen-bonded Turntrans-57.5-28.5175.2-74.5165.9000113G7 R8 H9 F10 G347 T392G7-H345 PolarHBondContact O-CE1 3.26Å; G7-H345 PolarHBondContact O-ND1 2.93Å; R8-H345 WeakPolarHBondContact O-CB 3.46Å; R8-H345 PolarHBondContact O-N 3.16Å; H9-H345 VanDerWaalsContact C-NE2 3.3Å; H9-H345 PolarHBondContact O-CE1 3.48Å; H9-H345 PolarHBondContact O-NE2 2.92Å; H9-H345 VanDerWaalsContact O-NE2 3.11Å; F10-H345 AromaticContact CD1-CD2 3.76Å; F10-H345 AromaticContact CD1-NE2 3.92Å; F10-H345 AromaticContact CD2-CD2 3.72Å; F10-H345 AromaticContact CE1-CD2 3.7Å; F10-H345 AromaticContact CE2-CD2 3.69Å; F10-H345 AromaticContact CG-CD2 3.78Å; F10-H345 AromaticContact CZ-CD2 3.68Å; H345-G347 PolarHBondContact O-N 3.43Å; H345-T392 HydrophobicContact CB-CG2 3.74Å; H345-T392 PolarHBondContact O-N 3.23Å; H345-T392 PolarHBondContact O-OG1 2.9Å
346K92.8Very high97.1Very high61 Ų6112.3 Ų12.327%0.2656%0.062SC..THydrogen-bonded Turntrans-73.1-4.9179.6-72.9-164.4177.4-1710114.3L344 H352L344-K346 PolarHBondContact O-N 3.24Å; L344-K346 VanDerWaalsContact O-N 3.12Å; K346-H352 WeakPolarHBondContact CB-O 3.43Å; K346-H352 HydrophobicContact CD-CB 4.11Å; K346-H352 WeakPolarHBondContact CD-CD2 3.42Å
347G94.6Very high97.1Very high3 Ų310.5 Ų10.53%0.0315%0.054CC..  trans104.3-153.1176.400000113.4L344 H345 G353 S354 N390L344-G347 PolarHBondContact O-N 3.36Å; H345-G347 PolarHBondContact O-N 3.43Å; G347-G353 CarbonylContact O-C 3.56Å; G347-G353 WeakPolarHBondContact O-CA 3.45Å; G347-S354 PolarHBondContact O-N 3.42Å; G347-N390 WeakPolarHBondContact CA-O 3.48Å
348C96.4Very high97.1Very high2 Ų210.4 Ų10.41%0.0145%0.053CC..SBendtrans-111.520.3-166.3-61.40000114.2A355 C384 Y387 T408C348-A355 WeakPolarHBondContact O-CB 3.43Å; C348-C384 HydrophobicContact CB-CB 4.18Å; C348-Y387 HydrophobicContact CB-CD2 3.93Å; C348-Y387 HydrophobicContact CB-CE2 4.37Å; C348-T408 VanDerWaalsContact C-OG1 3.31Å; C348-T408 HydrophobicContact CB-CG2 3.92Å; C348-T408 PolarHBondContact O-OG1 3.46Å
349G97.1Very high97.1Very high3 Ų310.7 Ų10.73%0.0315%0.054CC..  trans-68.6175.917400000113.8G353 A355 G356G349-G353 CarbonylContact O-C 3.15Å; G349-G353 WeakPolarHBondContact O-CA 3.47Å; G349-G353 PolarHBondContact O-N 3.02Å; G349-G353 VanDerWaalsContact O-O 3.08Å; G349-A355 PolarHBondContact O-N 3.32Å; G349-G356 PolarHBondContact O-N 3.42Å
350L98.4Very high97.2Very high0 Ų09.9 Ų9.90%05%0.052CC..THydrogen-bonded Turntrans-84.5-41.1-178.1-67.8177.7000113.8A355 G356 F359 L401 M402 F411 F423 P424L350-A355 HydrophobicContact CD2-CB 3.94Å; L350-G356 VanDerWaalsContact O-CA 3.31Å; L350-G356 WeakPolarHBondContact O-CA 3.22Å; L350-F359 HydrophobicContact CD2-CD2 3.68Å; L350-F359 HydrophobicContact CD2-CE2 3.71Å; L350-L401 HydrophobicContact CD1-CD1 4.2Å; L350-L401 HydrophobicContact CD1-CG 4.31Å; L350-L401 WeakPolarHBondContact CD1-O 3.37Å; L350-M402 HydrophobicContact CB-CE 4.44Å; L350-M402 HydrophobicContact CB-SD 4.18Å; L350-M402 HydrophobicContact CD1-SD 4.2Å; L350-M402 PolarHBondContact N-O 2.86Å; L350-F411 HydrophobicContact CD2-CB 4.49Å; L350-F423 HydrophobicContact CB-CE2 3.79Å; L350-F423 HydrophobicContact CB-CZ 3.85Å; L350-F423 HydrophobicContact CD1-CZ 4.49Å; L350-F423 HydrophobicContact CD2-CD2 4.49Å; L350-F423 HydrophobicContact CD2-CE2 4.12Å; L350-F423 HydrophobicContact CG-CE2 4.37Å; L350-P424 HydrophobicContact CD1-CG 3.58Å
351C98.2Very high97.2Very high1 Ų17.6 Ų7.61%0.0074%0.038CC..THydrogen-bonded Turntrans-71.8-44.4-172.5173.80000112.9Y56 W304 C305 M402Y56-C351 HydrophobicContact CE2-CB 4.44Å; Y56-C351 WeakPolarHBondContact OH-CB 3.29Å; Y56-C351 PolarHBondContact OH-SG 3.05Å; W304-C351 WeakPolarHBondContact CB-O 3.41Å; W304-C351 HydrophobicContact CE3-CB 4.13Å; W304-C351 PolarHBondContact N-O 2.59Å; C305-C351 VanDerWaalsContact CB-SG 3.53Å; C305-C351 PolarHBondContact N-O 3.29Å; C351-M402 HydrophobicContact CB-CB 4.3Å; C351-M402 HydrophobicContact CB-CE 4.12Å; C351-M402 WeakPolarHBondContact CB-O 3.41Å; C351-M402 PolarHBondContact N-O 2.65Å
352H95.6Very high97.3Very high23 Ų237.5 Ų7.511%0.1064%0.037CC..THydrogen-bonded Turntrans-146.835.6-175.149.7-108.2000111.2H303 L344 K346H303-H352 HydrophobicContact CB-CB 3.99Å; L344-H352 VanDerWaalsContact CD1-C 3.49Å; L344-H352 WeakPolarHBondContact CD1-O 3.49Å; K346-H352 WeakPolarHBondContact CB-O 3.43Å; K346-H352 HydrophobicContact CD-CB 4.11Å; K346-H352 WeakPolarHBondContact CD-CD2 3.42Å
353G96.5Very high97.3Very high2 Ų28 Ų82%0.0214%0.04CC..SBendtrans-131.4172.6174.600000112.3G347 G349 A355 G356G347-G353 CarbonylContact O-C 3.56Å; G347-G353 WeakPolarHBondContact O-CA 3.45Å; G349-G353 CarbonylContact O-C 3.15Å; G349-G353 WeakPolarHBondContact O-CA 3.47Å; G349-G353 PolarHBondContact O-N 3.02Å; G349-G353 VanDerWaalsContact O-O 3.08Å; G353-A355 PolarHBondContact O-N 2.75Å; G353-G356 PolarHBondContact O-N 3.3Å
354S98Very high97.4Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-63.5-23.3-171.7-50.10000114.3G342 L343 L344 G347 S357 G358 F380 W383G342-S354 WeakPolarHBondContact O-CA 3.28Å; G342-S354 PolarHBondContact O-OG 3Å; L343-S354 WeakPolarHBondContact CA-OG 3.36Å; L344-S354 PolarHBondContact N-OG 2.73Å; L344-S354 VanDerWaalsContact N-OG 3.1Å; G347-S354 PolarHBondContact O-N 3.42Å; S354-S357 WeakPolarHBondContact O-CB 3.42Å; S354-S357 PolarHBondContact O-N 3.14Å; S354-G358 PolarHBondContact O-N 3.44Å; S354-F380 WeakPolarHBondContact O-CD1 3.3Å; S354-W383 PolarHBondContact OG-NE1 3.13Å
355A98.5Very high97.5Very high0 Ų09.5 Ų9.50%05%0.045CC..Hα-helixtrans-66.7-38.5176.300000112C348 G349 L350 G353 S357 G358 F359 F411C348-A355 WeakPolarHBondContact O-CB 3.43Å; G349-A355 PolarHBondContact O-N 3.32Å; L350-A355 HydrophobicContact CD2-CB 3.94Å; G353-A355 PolarHBondContact O-N 2.75Å; A355-S357 VanDerWaalsContact C-N 3.34Å; A355-G358 PolarHBondContact O-N 3.47Å; A355-F359 PolarHBondContact O-N 3.46Å; A355-F411 HydrophobicContact CB-CB 3.75Å; A355-F411 HydrophobicContact CB-CD1 3.79Å; A355-F411 HydrophobicContact CB-CG 4Å
356G98.6Very high97.6Very high2 Ų29.2 Ų9.22%0.0214%0.044CC..Hα-helixtrans-62.1-42.8173.300000112.2T309 G349 L350 G353 G358 F359 A360T309-G356 VanDerWaalsContact CG2-C 3.42Å; T309-G356 VanDerWaalsContact CG2-O 3.29Å; T309-G356 WeakPolarHBondContact CG2-O 3.42Å; G349-G356 PolarHBondContact O-N 3.42Å; L350-G356 VanDerWaalsContact O-CA 3.31Å; L350-G356 WeakPolarHBondContact O-CA 3.22Å; G353-G356 PolarHBondContact O-N 3.3Å; G356-G358 VanDerWaalsContact C-N 3.32Å; G356-G358 PolarHBondContact O-N 2.74Å; G356-F359 PolarHBondContact O-N 3.27Å; G356-A360 PolarHBondContact O-N 2.94Å; G356-A360 VanDerWaalsContact O-N 3.12Å
357S98.7Very high97.9Very high0 Ų07.8 Ų7.80%04%0.041CC..Hα-helixtrans-58.7-42.9173.9-59.80000112.2V338 G342 S354 A355 F359 A360 L361V338-S357 WeakPolarHBondContact CG1-O 3.49Å; G342-S357 WeakPolarHBondContact CA-OG 3.25Å; G342-S357 WeakPolarHBondContact O-CB 3.22Å; G342-S357 PolarHBondContact O-OG 3.36Å; S354-S357 WeakPolarHBondContact O-CB 3.42Å; S354-S357 PolarHBondContact O-N 3.14Å; A355-S357 VanDerWaalsContact C-N 3.34Å; S357-F359 PolarHBondContact O-N 3.26Å; S357-A360 PolarHBondContact O-N 3.42Å; S357-L361 PolarHBondContact O-N 3.39Å
358G98.7Very high98.1Very high0 Ų09.9 Ų9.90%05%0.053CC..Hα-helixtrans-61.5-41.6175.800000113S354 A355 G356 A360 L361 L362S354-G358 PolarHBondContact O-N 3.44Å; A355-G358 PolarHBondContact O-N 3.47Å; G356-G358 VanDerWaalsContact C-N 3.32Å; G356-G358 PolarHBondContact O-N 2.74Å; G358-A360 PolarHBondContact O-N 3.3Å; G358-L361 PolarHBondContact O-N 3.36Å; G358-L362 WeakPolarHBondContact O-CB 3.5Å; G358-L362 PolarHBondContact O-N 3.28Å
359F98.8Very high98.1Very high7 Ų715.3 Ų15.33%0.0318%0.078CC..Hα-helixtrans-61.6-40.7173.9-92.6-61000113.1L350 A355 G356 S357 L361 L362 E363 Y410 F411 A421 K422 F423L350-F359 HydrophobicContact CD2-CD2 3.68Å; L350-F359 HydrophobicContact CD2-CE2 3.71Å; A355-F359 PolarHBondContact O-N 3.46Å; G356-F359 PolarHBondContact O-N 3.27Å; S357-F359 PolarHBondContact O-N 3.26Å; F359-L361 VanDerWaalsContact C-N 3.33Å; F359-L361 PolarHBondContact O-N 3.29Å; F359-L362 HydrophobicContact CD1-CD2 4.35Å; F359-L362 HydrophobicContact CE1-CD2 4.48Å; F359-L362 WeakPolarHBondContact O-CB 3.36Å; F359-L362 PolarHBondContact O-N 3.23Å; F359-E363 PolarHBondContact O-N 3.24Å; F359-Y410 HydrophobicContact CE2-CD1 4.11Å; F359-Y410 AromaticContact CZ-CD1 3.79Å; F359-Y410 HydrophobicContact CZ-CD1 3.79Å; F359-Y410 HydrophobicContact CZ-CE1 4.17Å; F359-F411 HydrophobicContact CD1-CD2 4.23Å; F359-F411 HydrophobicContact CD2-CB 4.01Å; F359-F411 AromaticContact CD2-CD2 3.71Å; F359-F411 HydrophobicContact CD2-CD2 3.71Å; F359-F411 HydrophobicContact CD2-CG 4.18Å; F359-F411 HydrophobicContact CE1-CD2 4.24Å; F359-F411 HydrophobicContact CE2-CB 3.52Å; F359-F411 AromaticContact CE2-CD2 3.76Å; F359-F411 HydrophobicContact CE2-CD2 3.76Å; F359-F411 HydrophobicContact CE2-CG 4.08Å; F359-F411 AromaticContact CG-CD2 3.96Å; F359-F411 HydrophobicContact CG-CD2 3.96Å; F359-F411 HydrophobicContact CZ-CB 4.15Å; F359-F411 HydrophobicContact CZ-CD2 4.01Å; F359-A421 HydrophobicContact CE1-CB 4.34Å; F359-K422 VanDerWaalsContact CE1-C 3.43Å; F359-K422 WeakPolarHBondContact CE1-O 3.46Å; F359-F423 HydrophobicContact CB-CB 4.4Å; F359-F423 HydrophobicContact CB-CD2 3.99Å; F359-F423 HydrophobicContact CD1-CB 4.45Å; F359-F423 AromaticContact CD2-CD2 3.92Å; F359-F423 HydrophobicContact CD2-CD2 3.92Å; F359-F423 HydrophobicContact CG-CB 4.26Å; F359-F423 HydrophobicContact CG-CD2 4.1Å
360A98.8Very high98.1Very high3 Ų317.9 Ų17.93%0.0259%0.091CC..Hα-helixtrans-63-40.6177.800000112T309 I312 G356 S357 G358 E363 I364T309-A360 HydrophobicContact CG2-CB 4Å; I312-A360 HydrophobicContact CB-CB 4.42Å; I312-A360 HydrophobicContact CD1-CB 3.91Å; I312-A360 HydrophobicContact CG2-CB 4.43Å; G356-A360 PolarHBondContact O-N 2.94Å; G356-A360 VanDerWaalsContact O-N 3.12Å; S357-A360 PolarHBondContact O-N 3.42Å; G358-A360 PolarHBondContact O-N 3.3Å; A360-E363 PolarHBondContact O-N 3.33Å; A360-I364 WeakPolarHBondContact O-CG1 3.28Å; A360-I364 PolarHBondContact O-N 3.38Å
361L98.8Very high98Very high0 Ų020.8 Ų20.80%011%0.11CC..Hα-helixtrans-65.2-40.5173.7-66168000111.5V338 S357 G358 F359 E363 I364 Y365 Y373 R376 A377 F380V338-L361 HydrophobicContact CB-CD2 4.38Å; V338-L361 HydrophobicContact CG1-CD1 4.04Å; V338-L361 HydrophobicContact CG1-CD2 4.16Å; V338-L361 HydrophobicContact CG1-CG 3.83Å; S357-L361 PolarHBondContact O-N 3.39Å; G358-L361 PolarHBondContact O-N 3.36Å; F359-L361 VanDerWaalsContact C-N 3.33Å; F359-L361 PolarHBondContact O-N 3.29Å; L361-E363 VanDerWaalsContact C-N 3.33Å; L361-E363 PolarHBondContact O-N 3.24Å; L361-I364 WeakPolarHBondContact O-CB 3.3Å; L361-I364 PolarHBondContact O-N 3.22Å; L361-Y365 PolarHBondContact O-N 3.28Å; L361-Y373 HydrophobicContact CD2-CD1 4.06Å; L361-R376 HydrophobicContact CD1-CB 3.95Å; L361-A377 HydrophobicContact CB-CB 4.18Å; L361-F380 HydrophobicContact CD1-CD1 4.46Å; L361-F380 HydrophobicContact CD1-CD2 3.93Å; L361-F380 HydrophobicContact CD1-CE1 4.41Å; L361-F380 HydrophobicContact CD1-CE2 3.9Å; L361-F380 HydrophobicContact CD1-CG 4.22Å; L361-F380 HydrophobicContact CD1-CZ 4.15Å
362L98.5Very high97.9Very high1 Ų122.8 Ų22.81%0.00512%0.119CC..Hα-helixtrans-62.8-38.7177.8-172.860.8000112.3G358 F359 I364 Y365 Q366 L374 A377 I415 P418 A421G358-L362 WeakPolarHBondContact O-CB 3.5Å; G358-L362 PolarHBondContact O-N 3.28Å; F359-L362 HydrophobicContact CD1-CD2 4.35Å; F359-L362 HydrophobicContact CE1-CD2 4.48Å; F359-L362 WeakPolarHBondContact O-CB 3.36Å; F359-L362 PolarHBondContact O-N 3.23Å; L362-I364 VanDerWaalsContact C-N 3.33Å; L362-I364 PolarHBondContact O-N 3.39Å; L362-Y365 HydrophobicContact CD1-CD1 4.01Å; L362-Y365 WeakPolarHBondContact O-CB 3.49Å; L362-Y365 PolarHBondContact O-N 3.38Å; L362-Q366 VanDerWaalsContact O-CG 3.32Å; L362-Q366 WeakPolarHBondContact O-CG 3.2Å; L362-Q366 PolarHBondContact O-N 3.4Å; L362-L374 HydrophobicContact CD1-CD1 4.15Å; L362-A377 HydrophobicContact CB-CB 4.14Å; L362-A377 HydrophobicContact CD1-CB 4.43Å; L362-I415 HydrophobicContact CD1-CD1 4.31Å; L362-I415 HydrophobicContact CD2-CD1 4.34Å; L362-P418 HydrophobicContact CD1-CB 3.6Å; L362-P418 WeakPolarHBondContact CD1-O 3.24Å; L362-A421 HydrophobicContact CD2-CB 3.79Å
363E98.7Very high98.1Very high11 Ų1121.9 Ų21.95%0.05111%0.114CC..Hα-helixtrans-68.7-32.9177.8-159.5175.1138.200112.3P313 L316 F359 A360 L361 Q366 T367 G428P313-E363 WeakPolarHBondContact CA-OE1 3.28Å; P313-E363 WeakPolarHBondContact CB-OE1 3.34Å; L316-E363 HydrophobicContact CD1-CB 4.01Å; L316-E363 HydrophobicContact CD1-CG 3.83Å; F359-E363 PolarHBondContact O-N 3.24Å; A360-E363 PolarHBondContact O-N 3.33Å; L361-E363 VanDerWaalsContact C-N 3.33Å; L361-E363 PolarHBondContact O-N 3.24Å; E363-Q366 PolarHBondContact O-N 3.42Å; E363-T367 PolarHBondContact O-N 2.88Å; E363-T367 PolarHBondContact O-OG1 2.9Å; E363-G428 WeakPolarHBondContact OE1-CA 3.45Å; E363-G428 PolarHBondContact OE1-N 3.35Å; E363-G428 VanDerWaalsContact OE1-N 3.16Å; E363-G428 PolarHBondContact OE2-N 3.42Å
364I98.8Very high98.1Very high0 Ų023.2 Ų23.20%012%0.121CC..Hα-helixtrans-63.4-46.5170.1-62.8168.8000109.9I312 L316 A331 L332 A360 L361 L362 Q366 T367 T368 Y373I312-I364 HydrophobicContact CD1-CD1 4.28Å; I312-I364 HydrophobicContact CG2-CD1 3.94Å; I312-I364 HydrophobicContact CG2-CG1 3.68Å; L316-I364 HydrophobicContact CD1-CG1 3.97Å; A331-I364 WeakPolarHBondContact O-CD1 3.48Å; L332-I364 HydrophobicContact CD2-CG2 3.63Å; A360-I364 WeakPolarHBondContact O-CG1 3.28Å; A360-I364 PolarHBondContact O-N 3.38Å; L361-I364 WeakPolarHBondContact O-CB 3.3Å; L361-I364 PolarHBondContact O-N 3.22Å; L362-I364 VanDerWaalsContact C-N 3.33Å; L362-I364 PolarHBondContact O-N 3.39Å; I364-Q366 PolarHBondContact O-N 3.42Å; I364-T367 PolarHBondContact O-N 3.03Å; I364-T368 HydrophobicContact CG2-CG2 4.08Å; I364-T368 WeakPolarHBondContact O-CB 3.36Å; I364-T368 WeakPolarHBondContact O-CG2 3.42Å; I364-T368 PolarHBondContact O-N 3.42Å; I364-T368 PolarHBondContact O-OG1 3.15Å; I364-Y373 HydrophobicContact CB-CD1 3.9Å; I364-Y373 HydrophobicContact CB-CE1 4.33Å; I364-Y373 HydrophobicContact CB-CG 4.02Å; I364-Y373 HydrophobicContact CD1-CD1 4.06Å; I364-Y373 HydrophobicContact CD1-CE1 3.93Å; I364-Y373 HydrophobicContact CG2-CD1 3.59Å; I364-Y373 HydrophobicContact CG2-CD2 3.59Å; I364-Y373 HydrophobicContact CG2-CE1 3.7Å; I364-Y373 HydrophobicContact CG2-CE2 3.69Å; I364-Y373 HydrophobicContact CG2-CG 3.54Å
365Y98.2Very high98.1Very high34 Ų3424.1 Ų24.113%0.13312%0.124CC..Hα-helixtrans-56.6-48.6174.9164.4-109.6000111.4L361 L362 T367 T368 Q369 D370 L374 P418L361-Y365 PolarHBondContact O-N 3.28Å; L362-Y365 HydrophobicContact CD1-CD1 4.01Å; L362-Y365 WeakPolarHBondContact O-CB 3.49Å; L362-Y365 PolarHBondContact O-N 3.38Å; Y365-T367 PolarHBondContact O-N 2.88Å; Y365-T368 PolarHBondContact O-N 3.35Å; Y365-Q369 VanDerWaalsContact O-CA 3.24Å; Y365-Q369 WeakPolarHBondContact O-CA 3.46Å; Y365-Q369 PolarHBondContact O-N 3.01Å; Y365-D370 WeakPolarHBondContact CD2-O 3.42Å; Y365-L374 HydrophobicContact CD1-CB 4.09Å; Y365-L374 HydrophobicContact CD1-CD1 4.23Å; Y365-L374 HydrophobicContact CD2-CB 3.63Å; Y365-L374 HydrophobicContact CE1-CB 4.27Å; Y365-L374 HydrophobicContact CE1-CD1 4.22Å; Y365-L374 HydrophobicContact CE1-CD2 4.1Å; Y365-L374 HydrophobicContact CE1-CG 4.43Å; Y365-L374 HydrophobicContact CE2-CB 3.83Å; Y365-L374 HydrophobicContact CE2-CD2 4.12Å; Y365-L374 HydrophobicContact CG-CB 3.75Å; Y365-P418 HydrophobicContact CE1-CB 4.38Å
366Q98.1Very high98.1Very high40 Ų4024.2 Ų24.219%0.18713%0.125CC..Hα-helixtrans-60.6-32179.9-70.7166-10.400112.9L362 E363 I364 Q369 P418 A421L362-Q366 VanDerWaalsContact O-CG 3.32Å; L362-Q366 WeakPolarHBondContact O-CG 3.2Å; L362-Q366 PolarHBondContact O-N 3.4Å; E363-Q366 PolarHBondContact O-N 3.42Å; I364-Q366 PolarHBondContact O-N 3.42Å; Q366-Q369 PolarHBondContact O-NE2 3.16Å; Q366-P418 WeakPolarHBondContact CG-O 3.4Å; Q366-P418 PolarHBondContact NE2-O 2.98Å; Q366-A421 PolarHBondContact NE2-O 3.43Å
367T98.3Very high98.1Very high32 Ų3224.1 Ų24.120%0.19612%0.124CC..Hα-helixtrans-82-38.5179-55.70000112.7L316 K320 E363 I364 Y365L316-T367 HydrophobicContact CD2-CG2 3.98Å; K320-T367 VanDerWaalsContact CE-OG1 3.25Å; K320-T367 WeakPolarHBondContact CE-OG1 3.33Å; K320-T367 PolarHBondContact NZ-OG1 3.33Å; E363-T367 PolarHBondContact O-N 2.88Å; E363-T367 PolarHBondContact O-OG1 2.9Å; I364-T367 PolarHBondContact O-N 3.03Å; Y365-T367 PolarHBondContact O-N 2.88Å
368T98Very high98Very high46 Ų4624.1 Ų24.128%0.28212%0.124SC..Hα-helixtrans-99.5-22.6-171.458.60000114.4L328 L332 I364 Y365 D370L328-T368 HydrophobicContact CD1-CG2 3.8Å; L332-T368 HydrophobicContact CD2-CG2 4.09Å; I364-T368 HydrophobicContact CG2-CG2 4.08Å; I364-T368 WeakPolarHBondContact O-CB 3.36Å; I364-T368 WeakPolarHBondContact O-CG2 3.42Å; I364-T368 PolarHBondContact O-N 3.42Å; I364-T368 PolarHBondContact O-OG1 3.15Å; Y365-T368 PolarHBondContact O-N 3.35Å; T368-D370 PolarHBondContact O-N 2.91Å; T368-D370 PolarHBondContact OG1-N 3.02Å
369Q96.8Very high98Very high116 Ų11625.6 Ų25.654%0.54213%0.13SC..  trans57.418.7-167.5-53.6-64-57.100113.7Y365 Q366 P371Y365-Q369 VanDerWaalsContact O-CA 3.24Å; Y365-Q369 WeakPolarHBondContact O-CA 3.46Å; Y365-Q369 PolarHBondContact O-N 3.01Å; Q366-Q369 PolarHBondContact O-NE2 3.16Å; Q369-P371 WeakPolarHBondContact O-CD 3.43Å
370D96.8Very high98Very high57 Ų5725.2 Ų25.231%0.30513%0.129SC..  trans-78.3114.6176.6174.5-0.1000110.2Y365 T368 K372 Y373Y365-D370 WeakPolarHBondContact CD2-O 3.42Å; T368-D370 PolarHBondContact O-N 2.91Å; T368-D370 PolarHBondContact OG1-N 3.02Å; D370-K372 PolarHBondContact O-N 3.39Å; D370-K372 VanDerWaalsContact OD1-CB 3.22Å; D370-K372 WeakPolarHBondContact OD1-CB 3.2Å; D370-K372 PolarHBondContact OD1-N 3.41Å; D370-Y373 HydrophobicContact CB-CD2 3.93Å; D370-Y373 HydrophobicContact CB-CE2 4.31Å; D370-Y373 PolarHBondContact O-N 3.07Å; D370-Y373 VanDerWaalsContact O-N 3.07Å; D370-Y373 WeakPolarHBondContact OD2-CE2 3.38Å
371P96.3Very high97.9Very high61 Ų6125.1 Ų25.140%0.39613%0.127SC..Hα-helixtrans-60.6-20.7-175.625.9-35.7000113.7Y17 Q369 Y373 L374 Y375Y17-P371 HydrophobicContact CE1-CG 4.26Å; Y17-P371 HydrophobicContact CE2-CB 4.36Å; Q369-P371 WeakPolarHBondContact O-CD 3.43Å; P371-Y373 PolarHBondContact O-N 3.4Å; P371-L374 PolarHBondContact O-N 3.21Å; P371-Y375 PolarHBondContact O-N 3.17Å
372K97.5Very high97.9Very high43 Ų4327 Ų2719%0.18714%0.137CC..Hα-helixtrans-52.2-45.5172.5176.3-179.665.3159.30111.3Y17 E336 D370 Y375 R376Y17-K372 HydrophobicContact CD1-CB 3.78Å; Y17-K372 HydrophobicContact CD1-CG 4.36Å; Y17-K372 HydrophobicContact CG-CB 4.05Å; Y17-K372 HydrophobicContact CG-CG 4.4Å; E336-K372 IonicContact OE1-NZ 3.56Å; E336-K372 PolarHBondContact OE1-NZ 3.43Å; D370-K372 PolarHBondContact O-N 3.39Å; D370-K372 VanDerWaalsContact OD1-CB 3.22Å; D370-K372 WeakPolarHBondContact OD1-CB 3.2Å; D370-K372 PolarHBondContact OD1-N 3.41Å; K372-Y375 PolarHBondContact O-N 3.34Å; K372-R376 VanDerWaalsContact O-CG 3.27Å; K372-R376 WeakPolarHBondContact O-CG 3.4Å; K372-R376 PolarHBondContact O-N 3.17Å
373Y98.2Very high97.8Very high4 Ų428.3 Ų28.32%0.01614%0.141CC..Hα-helixtrans-74.7-32-175.2-68.2-79.9000112.4L332 L361 I364 D370 P371 R376 A377L332-Y373 HydrophobicContact CD2-CE2 3.87Å; L332-Y373 WeakPolarHBondContact CD2-OH 3.31Å; L361-Y373 HydrophobicContact CD2-CD1 4.06Å; I364-Y373 HydrophobicContact CB-CD1 3.9Å; I364-Y373 HydrophobicContact CB-CE1 4.33Å; I364-Y373 HydrophobicContact CB-CG 4.02Å; I364-Y373 HydrophobicContact CD1-CD1 4.06Å; I364-Y373 HydrophobicContact CD1-CE1 3.93Å; I364-Y373 HydrophobicContact CG2-CD1 3.59Å; I364-Y373 HydrophobicContact CG2-CD2 3.59Å; I364-Y373 HydrophobicContact CG2-CE1 3.7Å; I364-Y373 HydrophobicContact CG2-CE2 3.69Å; I364-Y373 HydrophobicContact CG2-CG 3.54Å; D370-Y373 HydrophobicContact CB-CD2 3.93Å; D370-Y373 HydrophobicContact CB-CE2 4.31Å; D370-Y373 PolarHBondContact O-N 3.07Å; D370-Y373 VanDerWaalsContact O-N 3.07Å; D370-Y373 WeakPolarHBondContact OD2-CE2 3.38Å; P371-Y373 PolarHBondContact O-N 3.4Å; Y373-R376 PolarHBondContact O-N 3.12Å; Y373-A377 WeakPolarHBondContact O-CB 3.42Å; Y373-A377 PolarHBondContact O-N 2.83Å
374L97.3Very high97.8Very high30 Ų3027.8 Ų27.816%0.15714%0.139CC..Hα-helixtrans-64.3-48.6170.6178.757.8000110.6L362 Y365 P371 R376 A377 I378 P418L362-L374 HydrophobicContact CD1-CD1 4.15Å; Y365-L374 HydrophobicContact CD1-CB 4.09Å; Y365-L374 HydrophobicContact CD1-CD1 4.23Å; Y365-L374 HydrophobicContact CD2-CB 3.63Å; Y365-L374 HydrophobicContact CE1-CB 4.27Å; Y365-L374 HydrophobicContact CE1-CD1 4.22Å; Y365-L374 HydrophobicContact CE1-CD2 4.1Å; Y365-L374 HydrophobicContact CE1-CG 4.43Å; Y365-L374 HydrophobicContact CE2-CB 3.83Å; Y365-L374 HydrophobicContact CE2-CD2 4.12Å; Y365-L374 HydrophobicContact CG-CB 3.75Å; P371-L374 PolarHBondContact O-N 3.21Å; L374-R376 VanDerWaalsContact C-N 3.32Å; L374-R376 PolarHBondContact O-N 3.24Å; L374-A377 PolarHBondContact O-N 3.37Å; L374-I378 HydrophobicContact CD1-CD1 4.12Å; L374-I378 HydrophobicContact CD1-CG1 4.23Å; L374-I378 HydrophobicContact CG-CD1 3.99Å; L374-I378 VanDerWaalsContact O-CG1 3.3Å; L374-I378 WeakPolarHBondContact O-CG1 3.5Å; L374-I378 PolarHBondContact O-N 3.12Å; L374-P418 HydrophobicContact CD1-CB 3.5Å; L374-P418 HydrophobicContact CD1-CG 3.93Å
375Y97.6Very high97.7Very high19 Ų1928.3 Ų28.38%0.07514%0.142CC..Hα-helixtrans-53.7-50175.5170.8-88.3000111.4Q15 Y17 D21 L23 W339 P371 K372 A377 I378 K379Q15-Y375 VanDerWaalsContact O-CE1 3.31Å; Q15-Y375 WeakPolarHBondContact O-CE1 3.05Å; Q15-Y375 PolarHBondContact O-OH 3.4Å; Y17-Y375 HydrophobicContact CD2-CD1 4.38Å; Y17-Y375 HydrophobicContact CD2-CD2 4.15Å; Y17-Y375 AromaticContact CD2-CG 3.81Å; Y17-Y375 HydrophobicContact CD2-CG 3.81Å; Y17-Y375 HydrophobicContact CG-CG 4.42Å; D21-Y375 WeakPolarHBondContact OD2-CD2 3.2Å; D21-Y375 WeakPolarHBondContact OD2-CE2 3.33Å; L23-Y375 HydrophobicContact CB-CD2 3.94Å; L23-Y375 HydrophobicContact CB-CE2 4.42Å; L23-Y375 HydrophobicContact CD2-CD2 3.69Å; L23-Y375 HydrophobicContact CD2-CE2 3.84Å; L23-Y375 HydrophobicContact CG-CD2 4.49Å; W339-Y375 HydrophobicContact CH2-CE1 4.4Å; P371-Y375 PolarHBondContact O-N 3.17Å; K372-Y375 PolarHBondContact O-N 3.34Å; Y375-A377 PolarHBondContact O-N 3.12Å; Y375-I378 WeakPolarHBondContact O-CB 3.36Å; Y375-I378 PolarHBondContact O-N 2.78Å; Y375-I378 VanDerWaalsContact O-N 3.15Å; Y375-K379 HydrophobicContact CD1-CG 4.21Å; Y375-K379 HydrophobicContact CE1-CG 3.73Å; Y375-K379 HydrophobicContact CE2-CD 4.45Å; Y375-K379 VanDerWaalsContact CE2-CE 3.45Å; Y375-K379 HydrophobicContact CE2-CG 4.43Å; Y375-K379 PolarHBondContact O-N 3.17Å; Y375-K379 WeakPolarHBondContact OH-CE 3.1Å
376R98.1Very high97.5Very high2 Ų229.5 Ų29.51%0.00815%0.151CC..Hα-helixtrans-61.3-42.6178.8-69.1-179.1169.9-179.3-2.3111.8D16 E336 W339 L361 K372 Y373 L374 I378 K379 F380D16-R376 IonicContact OD1-CZ 3.57Å; D16-R376 IonicContact OD1-NE 2.87Å; D16-R376 PolarHBondContact OD1-NE 2.91Å; D16-R376 IonicContact OD1-NH2 3.37Å; D16-R376 IonicContact OD2-CZ 2.96Å; D16-R376 IonicContact OD2-NE 3.58Å; D16-R376 IonicContact OD2-NH2 2.93Å; D16-R376 PolarHBondContact OD2-NH2 3.13Å; E336-R376 IonicContact OE1-CZ 2.8Å; E336-R376 IonicContact OE1-NH1 2.62Å; E336-R376 PolarHBondContact OE1-NH1 3.35Å; E336-R376 IonicContact OE1-NH2 3.49Å; E336-R376 PolarHBondContact OE1-NH2 3.43Å; E336-R376 IonicContact OE2-CZ 2.93Å; E336-R376 IonicContact OE2-NH1 3.74Å; E336-R376 PolarHBondContact OE2-NH1 2.95Å; E336-R376 VanDerWaalsContact OE2-NH1 3.12Å; E336-R376 IonicContact OE2-NH2 2.76Å; E336-R376 PolarHBondContact OE2-NH2 2.84Å; W339-R376 HydrophobicContact CD2-CB 4.4Å; W339-R376 HydrophobicContact CD2-CG 3.73Å; W339-R376 HydrophobicContact CE3-CB 3.54Å; W339-R376 HydrophobicContact CE3-CG 3.33Å; W339-R376 HydrophobicContact CG-CG 4.44Å; W339-R376 VanDerWaalsContact CG-CZ 3.43Å; W339-R376 HydrophobicContact CH2-CG 4.08Å; W339-R376 HydrophobicContact CZ2-CG 4.44Å; W339-R376 HydrophobicContact CZ3-CB 3.67Å; W339-R376 HydrophobicContact CZ3-CG 3.53Å; L361-R376 HydrophobicContact CD1-CB 3.95Å; K372-R376 VanDerWaalsContact O-CG 3.27Å; K372-R376 WeakPolarHBondContact O-CG 3.4Å; K372-R376 PolarHBondContact O-N 3.17Å; Y373-R376 PolarHBondContact O-N 3.12Å; L374-R376 VanDerWaalsContact C-N 3.32Å; L374-R376 PolarHBondContact O-N 3.24Å; R376-I378 VanDerWaalsContact C-N 3.32Å; R376-I378 PolarHBondContact O-N 3.14Å; R376-K379 PolarHBondContact O-N 2.73Å; R376-F380 WeakPolarHBondContact O-CD2 3.27Å; R376-F380 PolarHBondContact O-N 3.16Å; R376-F380 VanDerWaalsContact O-N 3.09Å
377A98.4Very high97.1Very high0 Ų029.5 Ų29.50%015%0.149CC..Hα-helixtrans-61.4-39.717500000112.1L361 L362 Y373 L374 Y375 F380 A381 I415L361-A377 HydrophobicContact CB-CB 4.18Å; L362-A377 HydrophobicContact CB-CB 4.14Å; L362-A377 HydrophobicContact CD1-CB 4.43Å; Y373-A377 WeakPolarHBondContact O-CB 3.42Å; Y373-A377 PolarHBondContact O-N 2.83Å; L374-A377 PolarHBondContact O-N 3.37Å; Y375-A377 PolarHBondContact O-N 3.12Å; A377-F380 WeakPolarHBondContact O-CB 2.87Å; A377-F380 PolarHBondContact O-N 3.45Å; A377-A381 PolarHBondContact O-N 2.86Å; A377-I415 HydrophobicContact CB-CD1 3.93Å
378I98Very high96.5Very high1 Ų133.1 Ų33.11%0.00518%0.176CC..Hα-helixtrans-64-41.3174.9-64170000111.1L23 V25 T28 I30 L374 Y375 R376 F380 A381 E382 I415L23-I378 HydrophobicContact CD2-CB 4.02Å; L23-I378 HydrophobicContact CD2-CD1 4.47Å; L23-I378 HydrophobicContact CD2-CG2 3.56Å; L23-I378 HydrophobicContact CG-CD1 4.28Å; L23-I378 HydrophobicContact CG-CG2 4.03Å; V25-I378 HydrophobicContact CG2-CD1 3.55Å; V25-I378 HydrophobicContact CG2-CG1 3.66Å; T28-I378 HydrophobicContact CG2-CG2 4.09Å; I30-I378 HydrophobicContact CD1-CG2 4.21Å; L374-I378 HydrophobicContact CD1-CD1 4.12Å; L374-I378 HydrophobicContact CD1-CG1 4.23Å; L374-I378 HydrophobicContact CG-CD1 3.99Å; L374-I378 VanDerWaalsContact O-CG1 3.3Å; L374-I378 WeakPolarHBondContact O-CG1 3.5Å; L374-I378 PolarHBondContact O-N 3.12Å; Y375-I378 WeakPolarHBondContact O-CB 3.36Å; Y375-I378 PolarHBondContact O-N 2.78Å; Y375-I378 VanDerWaalsContact O-N 3.15Å; R376-I378 VanDerWaalsContact C-N 3.32Å; R376-I378 PolarHBondContact O-N 3.14Å; I378-F380 VanDerWaalsContact C-N 3.28Å; I378-F380 PolarHBondContact O-N 3.42Å; I378-A381 CarbonylContact O-C 3.25Å; I378-A381 WeakPolarHBondContact O-CA 3.32Å; I378-A381 WeakPolarHBondContact O-CB 3.38Å; I378-A381 PolarHBondContact O-N 3.49Å; I378-E382 HydrophobicContact CG2-CG 4.48Å; I378-E382 PolarHBondContact O-N 3.2Å; I378-I415 HydrophobicContact CG1-CD1 4.34Å; I378-I415 HydrophobicContact CG1-CG1 4.06Å
379K97.8Very high96Very high30 Ų3038 Ų3813%0.1319%0.193CC..Hα-helixtrans-61.2-36.6174.8-65.7-46.6-177.6-176.70113F14 L23 W339 Y375 R376 A381 E382 W383F14-K379 HydrophobicContact CB-CB 4.36Å; F14-K379 HydrophobicContact CB-CG 4.2Å; F14-K379 HydrophobicContact CD1-CB 4.47Å; F14-K379 HydrophobicContact CD1-CD 4.09Å; F14-K379 HydrophobicContact CD1-CG 4.49Å; F14-K379 HydrophobicContact CD2-CB 3.87Å; F14-K379 HydrophobicContact CE2-CB 4.28Å; F14-K379 WeakPolarHBondContact CE2-O 3.49Å; F14-K379 HydrophobicContact CG-CB 3.98Å; F14-K379 HydrophobicContact CG-CD 4.28Å; F14-K379 HydrophobicContact CG-CG 4.18Å; L23-K379 HydrophobicContact CD2-CD 4.27Å; W339-K379 HydrophobicContact CH2-CB 4.32Å; W339-K379 HydrophobicContact CH2-CG 4.32Å; W339-K379 HydrophobicContact CZ3-CB 4.14Å; Y375-K379 HydrophobicContact CD1-CG 4.21Å; Y375-K379 HydrophobicContact CE1-CG 3.73Å; Y375-K379 HydrophobicContact CE2-CD 4.45Å; Y375-K379 VanDerWaalsContact CE2-CE 3.45Å; Y375-K379 HydrophobicContact CE2-CG 4.43Å; Y375-K379 PolarHBondContact O-N 3.17Å; Y375-K379 WeakPolarHBondContact OH-CE 3.1Å; R376-K379 PolarHBondContact O-N 2.73Å; K379-A381 VanDerWaalsContact C-N 3.34Å; K379-E382 WeakPolarHBondContact CD-OE2 3.43Å; K379-E382 WeakPolarHBondContact CE-OE2 3.13Å; K379-E382 IonicContact NZ-OE1 2.97Å; K379-E382 IonicContact NZ-OE2 3.4Å; K379-E382 PolarHBondContact NZ-OE2 2.94Å; K379-E382 PolarHBondContact O-N 2.95Å; K379-W383 WeakPolarHBondContact O-CB 3.48Å; K379-W383 PolarHBondContact O-N 2.94Å
380F98.3Very high95.7Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-68.4-35172.7-82.7-120.9000111.7V338 W339 G342 L343 S354 L361 R376 A377 I378 C384 F411V338-F380 HydrophobicContact CG1-CE1 4.46Å; V338-F380 WeakPolarHBondContact O-CZ 3.18Å; W339-F380 HydrophobicContact CE3-CD2 4.31Å; W339-F380 AromaticContact CE3-CE2 3.6Å; W339-F380 HydrophobicContact CE3-CE2 3.6Å; W339-F380 HydrophobicContact CZ3-CD2 4.19Å; W339-F380 AromaticContact CZ3-CE2 3.83Å; W339-F380 HydrophobicContact CZ3-CE2 3.83Å; G342-F380 WeakPolarHBondContact O-CE1 3.47Å; L343-F380 HydrophobicContact CD2-CD1 3.79Å; L343-F380 HydrophobicContact CD2-CD2 4.08Å; L343-F380 HydrophobicContact CD2-CE1 3.69Å; L343-F380 HydrophobicContact CD2-CE2 3.97Å; L343-F380 HydrophobicContact CD2-CG 4Å; L343-F380 HydrophobicContact CD2-CZ 3.78Å; L343-F380 HydrophobicContact CG-CE1 4.36Å; L343-F380 HydrophobicContact CG-CE2 4.44Å; L343-F380 HydrophobicContact CG-CZ 4.13Å; S354-F380 WeakPolarHBondContact O-CD1 3.3Å; L361-F380 HydrophobicContact CD1-CD1 4.46Å; L361-F380 HydrophobicContact CD1-CD2 3.93Å; L361-F380 HydrophobicContact CD1-CE1 4.41Å; L361-F380 HydrophobicContact CD1-CE2 3.9Å; L361-F380 HydrophobicContact CD1-CG 4.22Å; L361-F380 HydrophobicContact CD1-CZ 4.15Å; R376-F380 WeakPolarHBondContact O-CD2 3.27Å; R376-F380 PolarHBondContact O-N 3.16Å; R376-F380 VanDerWaalsContact O-N 3.09Å; A377-F380 WeakPolarHBondContact O-CB 2.87Å; A377-F380 PolarHBondContact O-N 3.45Å; I378-F380 VanDerWaalsContact C-N 3.28Å; I378-F380 PolarHBondContact O-N 3.42Å; F380-C384 WeakPolarHBondContact O-CB 3.28Å; F380-C384 PolarHBondContact O-N 2.9Å; F380-C384 PolarHBondContact O-SG 2.9Å; F380-F411 HydrophobicContact CB-CE1 4.37Å; F380-F411 HydrophobicContact CB-CZ 4.45Å
381A98.4Very high95.1Very high0 Ų032.5 Ų32.50%017%0.172CC..Hα-helixtrans-66.5-44.8172.800000111.7I30 A377 I378 K379 W383 C384 T385 F411 L412 I415I30-A381 HydrophobicContact CD1-CB 3.63Å; A377-A381 PolarHBondContact O-N 2.86Å; I378-A381 CarbonylContact O-C 3.25Å; I378-A381 WeakPolarHBondContact O-CA 3.32Å; I378-A381 WeakPolarHBondContact O-CB 3.38Å; I378-A381 PolarHBondContact O-N 3.49Å; K379-A381 VanDerWaalsContact C-N 3.34Å; A381-W383 VanDerWaalsContact C-N 3.34Å; A381-W383 PolarHBondContact O-N 3.43Å; A381-C384 WeakPolarHBondContact O-CA 3.46Å; A381-C384 WeakPolarHBondContact O-CB 3.5Å; A381-C384 PolarHBondContact O-N 2.96Å; A381-T385 WeakPolarHBondContact O-CG2 3.37Å; A381-T385 PolarHBondContact O-N 3.19Å; A381-T385 VanDerWaalsContact O-N 3.11Å; A381-F411 HydrophobicContact CB-CE1 3.75Å; A381-F411 HydrophobicContact CB-CZ 4.07Å; A381-L412 HydrophobicContact CB-CD2 3.82Å; A381-L412 VanDerWaalsContact O-CD2 3.3Å; A381-L412 WeakPolarHBondContact O-CD2 3.32Å; A381-I415 HydrophobicContact CB-CB 4.25Å; A381-I415 HydrophobicContact CB-CG1 4.05Å; A381-I415 HydrophobicContact CB-CG2 4Å
382E97.3Very high94.5Very high41 Ų4133.8 Ų33.819%0.19218%0.178CC..Hα-helixtrans-55.9-47.6173.4-71-178.5148.100111I30 I378 K379 C384 T385I30-E382 HydrophobicContact CD1-CG 4.12Å; I30-E382 HydrophobicContact CG1-CG 4.4Å; I378-E382 HydrophobicContact CG2-CG 4.48Å; I378-E382 PolarHBondContact O-N 3.2Å; K379-E382 WeakPolarHBondContact CD-OE2 3.43Å; K379-E382 WeakPolarHBondContact CE-OE2 3.13Å; K379-E382 IonicContact NZ-OE1 2.97Å; K379-E382 IonicContact NZ-OE2 3.4Å; K379-E382 PolarHBondContact NZ-OE2 2.94Å; K379-E382 PolarHBondContact O-N 2.95Å; E382-C384 VanDerWaalsContact C-N 3.3Å; E382-C384 PolarHBondContact O-N 3.07Å; E382-T385 WeakPolarHBondContact O-CB 3.34Å; E382-T385 PolarHBondContact O-N 3.24Å; E382-T385 VanDerWaalsContact O-N 3.1Å; E382-T385 PolarHBondContact O-OG1 3.06Å
383W97.6Very high93.9Very high27 Ų2737.7 Ų37.710%0.10219%0.192CC..Hα-helixtrans-55.8-44173.3179.2-88.2000112.6F10 P13 F14 L343 S354 K379 A381 T385 D386 N390F10-W383 HydrophobicContact CB-CH2 4.01Å; F10-W383 HydrophobicContact CB-CZ2 4.19Å; F10-W383 HydrophobicContact CD1-CH2 4.49Å; F10-W383 HydrophobicContact CD2-CH2 4.05Å; F10-W383 AromaticContact CD2-CZ2 3.46Å; F10-W383 HydrophobicContact CD2-CZ2 3.46Å; F10-W383 VanDerWaalsContact CD2-CZ2 3.46Å; F10-W383 AromaticContact CE2-CZ2 3.89Å; F10-W383 HydrophobicContact CE2-CZ2 3.89Å; F10-W383 AromaticContact CG-CH2 3.95Å; F10-W383 HydrophobicContact CG-CH2 3.95Å; F10-W383 AromaticContact CG-CZ2 3.86Å; F10-W383 HydrophobicContact CG-CZ2 3.86Å; P13-W383 HydrophobicContact CG-CE3 4.33Å; P13-W383 HydrophobicContact CG-CZ3 3.99Å; F14-W383 HydrophobicContact CE2-CB 4.03Å; F14-W383 HydrophobicContact CE2-CE3 4.05Å; F14-W383 HydrophobicContact CZ-CB 4.13Å; F14-W383 HydrophobicContact CZ-CE3 4.17Å; L343-W383 HydrophobicContact CB-CD2 4.46Å; L343-W383 HydrophobicContact CB-CZ2 4.31Å; L343-W383 HydrophobicContact CD1-CD2 3.87Å; L343-W383 HydrophobicContact CD1-CE3 3.74Å; L343-W383 HydrophobicContact CD1-CG 4.41Å; L343-W383 HydrophobicContact CD1-CZ3 4.08Å; L343-W383 HydrophobicContact CD2-CB 4.05Å; L343-W383 HydrophobicContact CD2-CD2 3.95Å; L343-W383 HydrophobicContact CD2-CG 3.67Å; L343-W383 HydrophobicContact CG-CD2 4.32Å; S354-W383 PolarHBondContact OG-NE1 3.13Å; K379-W383 WeakPolarHBondContact O-CB 3.48Å; K379-W383 PolarHBondContact O-N 2.94Å; A381-W383 VanDerWaalsContact C-N 3.34Å; A381-W383 PolarHBondContact O-N 3.43Å; W383-T385 PolarHBondContact O-N 3.45Å; W383-D386 PolarHBondContact O-N 3.46Å; W383-N390 HydrophobicContact CD2-CB 4.24Å; W383-N390 HydrophobicContact CZ2-CB 3.72Å; W383-N390 PolarHBondContact O-ND2 3.46Å
384C97.9Very high93.3Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-67.3-18.3179.6-74.70000114C348 F380 A381 E382 D386 Y387 T408 L412C348-C384 HydrophobicContact CB-CB 4.18Å; F380-C384 WeakPolarHBondContact O-CB 3.28Å; F380-C384 PolarHBondContact O-N 2.9Å; F380-C384 PolarHBondContact O-SG 2.9Å; A381-C384 WeakPolarHBondContact O-CA 3.46Å; A381-C384 WeakPolarHBondContact O-CB 3.5Å; A381-C384 PolarHBondContact O-N 2.96Å; E382-C384 VanDerWaalsContact C-N 3.3Å; E382-C384 PolarHBondContact O-N 3.07Å; C384-D386 VanDerWaalsContact C-N 3.3Å; C384-D386 PolarHBondContact O-N 2.99Å; C384-Y387 PolarHBondContact O-N 3.25Å; C384-T408 HydrophobicContact CB-CG2 3.81Å; C384-L412 HydrophobicContact CB-CD2 4Å
385T97Very high92.9Very high11 Ų1143.4 Ų43.47%0.06722%0.224CC..Hα-helixtrans-68.2-28.1177.168.50000113.4I30 K33 A381 E382 W383 Y387 L412I30-T385 HydrophobicContact CB-CG2 4.46Å; I30-T385 HydrophobicContact CG1-CG2 3.89Å; K33-T385 HydrophobicContact CB-CG2 3.69Å; K33-T385 HydrophobicContact CG-CG2 4Å; A381-T385 WeakPolarHBondContact O-CG2 3.37Å; A381-T385 PolarHBondContact O-N 3.19Å; A381-T385 VanDerWaalsContact O-N 3.11Å; E382-T385 WeakPolarHBondContact O-CB 3.34Å; E382-T385 PolarHBondContact O-N 3.24Å; E382-T385 VanDerWaalsContact O-N 3.1Å; E382-T385 PolarHBondContact O-OG1 3.06Å; W383-T385 PolarHBondContact O-N 3.45Å; T385-Y387 PolarHBondContact O-N 3.5Å; T385-L412 HydrophobicContact CG2-CD1 4.5Å; T385-L412 HydrophobicContact CG2-CD2 4.3Å
386D94.2Very high92.6Very high60 Ų6048.1 Ų48.132%0.32125%0.25SS..THydrogen-bonded Turntrans-88.444.4172.5-86.6-47.9000111.2W383 C384 S388 K389 N390W383-D386 PolarHBondContact O-N 3.46Å; C384-D386 VanDerWaalsContact C-N 3.3Å; C384-D386 PolarHBondContact O-N 2.99Å; D386-S388 VanDerWaalsContact C-N 3.26Å; D386-S388 PolarHBondContact O-N 3.14Å; D386-K389 HydrophobicContact CB-CB 4.39Å; D386-K389 HydrophobicContact CB-CD 4.48Å; D386-K389 PolarHBondContact O-N 3.45Å; D386-K389 IonicContact OD1-NZ 3.86Å; D386-K389 PolarHBondContact OD1-NZ 3.14Å; D386-N390 WeakPolarHBondContact CB-ND2 3.45Å; D386-N390 PolarHBondContact O-N 3.32Å
387Y90Very high92.4Very high40 Ų4053.4 Ų53.416%0.15727%0.27CS..THydrogen-bonded Turntrans-43.9-43.5-171.5176.4-101.8000114.9C348 C384 T385 P398 L405 T408C348-Y387 HydrophobicContact CB-CD2 3.93Å; C348-Y387 HydrophobicContact CB-CE2 4.37Å; C384-Y387 PolarHBondContact O-N 3.25Å; T385-Y387 PolarHBondContact O-N 3.5Å; Y387-P398 PolarHBondContact OH-O 2.88Å; Y387-L405 HydrophobicContact CD1-CD1 3.97Å; Y387-L405 HydrophobicContact CD2-CD1 3.99Å; Y387-L405 HydrophobicContact CE1-CB 4.06Å; Y387-L405 HydrophobicContact CE1-CD1 4.24Å; Y387-L405 HydrophobicContact CE2-CB 4.3Å; Y387-L405 HydrophobicContact CE2-CD1 4.29Å; Y387-L405 HydrophobicContact CG-CD1 3.85Å; Y387-L405 PolarHBondContact OH-N 3.16Å; Y387-T408 HydrophobicContact CD2-CG2 4.02Å; Y387-T408 WeakPolarHBondContact CD2-OG1 3.4Å; Y387-T408 WeakPolarHBondContact CE2-OG1 3.43Å
388S84.8Confident92.2Very high107 Ų10754.9 Ų54.975%0.74828%0.28SS*.THydrogen-bonded Turntrans-79.1-22.6-17755.20000114.4D386D386-S388 VanDerWaalsContact C-N 3.26Å; D386-S388 PolarHBondContact O-N 3.14Å
389K88.8Confident92.2Very high150 Ų15056.5 Ų56.565%0.65229%0.286SS*.THydrogen-bonded Turntrans-92.4-34.1-179.1-63.1176.4-175.4163.30111.8D386 A391D386-K389 HydrophobicContact CB-CB 4.39Å; D386-K389 HydrophobicContact CB-CD 4.48Å; D386-K389 PolarHBondContact O-N 3.45Å; D386-K389 IonicContact OD1-NZ 3.86Å; D386-K389 PolarHBondContact OD1-NZ 3.14Å; K389-A391 PolarHBondContact O-N 2.98Å; K389-A391 VanDerWaalsContact O-N 3.08Å
390N89.5Confident92.2Very high26 Ų2655.1 Ų55.114%0.13928%0.28CS..SBendtrans-90.847.7-171.3-72.5-11.3000112.5G347 W383 D386G347-N390 WeakPolarHBondContact CA-O 3.48Å; W383-N390 HydrophobicContact CD2-CB 4.24Å; W383-N390 HydrophobicContact CZ2-CB 3.72Å; W383-N390 PolarHBondContact O-ND2 3.46Å; D386-N390 WeakPolarHBondContact CB-ND2 3.45Å; D386-N390 PolarHBondContact O-N 3.32Å
391A83.9Confident92.2Very high31 Ų3155.2 Ų55.226%0.25628%0.281SS..  trans-150145.5174.600000109.8K389K389-A391 PolarHBondContact O-N 2.98Å; K389-A391 VanDerWaalsContact O-N 3.08Å
392T84.4Confident92.2Very high87 Ų8755.2 Ų55.253%0.53428%0.281SS..SBendtrans-87-14.3174.8640000113F10 H345F10-T392 HydrophobicContact CE1-CG2 4.11Å; F10-T392 HydrophobicContact CZ-CG2 3.7Å; H345-T392 HydrophobicContact CB-CG2 3.74Å; H345-T392 PolarHBondContact O-N 3.23Å; H345-T392 PolarHBondContact O-OG1 2.9Å
393R84.1Confident92.1Very high125 Ų12554.5 Ų54.547%0.47228%0.277SS..SBendtrans-153.8158.5176.665.2-179.1-169.1142.613.4110.7
394I86.2Confident92Very high139 Ų13953.2 Ų53.271%0.71327%0.273SS*.  trans-71.7135.1170.2-56.6175.3000108.3P398I394-P398 HydrophobicContact CG2-CB 3.87Å; I394-P398 HydrophobicContact CG2-CG 4.11Å
395A89.2Confident92Very high16 Ų1653.2 Ų53.213%0.13227%0.273CS..  trans-66.2154.817400000111.4R397 P398 E403A395-R397 PolarHBondContact O-N 3.25Å; A395-P398 WeakPolarHBondContact O-CD 3.45Å; A395-E403 HydrophobicContact CB-CB 4.28Å
396D90.6Very high92.1Very high118 Ų11852.7 Ų52.763%0.63127%0.269SS*.SBendtrans-63.6-33.7-178.4-59.5-35.5000111.1
397R94.4Very high92.3Very high113 Ų11349.9 Ų49.943%0.42625%0.254SS..SBendtrans-123.674.5174.4-60.5-70.8-163.9-150.8-1.2110.9T57 A395 Y399 S400 E403T57-R397 HydrophobicContact CG2-CB 4Å; T57-R397 HydrophobicContact CG2-CG 3.75Å; A395-R397 PolarHBondContact O-N 3.25Å; R397-Y399 PolarHBondContact O-N 2.73Å; R397-S400 WeakPolarHBondContact O-CB 3.31Å; R397-S400 PolarHBondContact O-N 3.47Å; R397-S400 PolarHBondContact O-OG 2.87Å; R397-E403 PolarHBondContact N-OE2 3.34Å; R397-E403 VanDerWaalsContact N-OE2 3.13Å
398P94.8Very high92.7Very high30 Ų3048 Ų4820%0.19525%0.247CC..THydrogen-bonded Turntrans-71.1-4.6-163.929.7-35.5000115.2Y387 I394 A395 G404 L405Y387-P398 PolarHBondContact OH-O 2.88Å; I394-P398 HydrophobicContact CG2-CB 3.87Å; I394-P398 HydrophobicContact CG2-CG 4.11Å; A395-P398 WeakPolarHBondContact O-CD 3.45Å; P398-G404 WeakPolarHBondContact O-CA 3.49Å; P398-L405 PolarHBondContact O-N 3.24Å
399Y96.7Very high93.4Very high36 Ų3642.9 Ų42.914%0.14121%0.211CC..THydrogen-bonded Turntrans-117.30.8177.4-55.9-66.5000113.1L41 N44 K47 V62 R397 L405 A406L41-Y399 HydrophobicContact CD1-CD1 3.98Å; L41-Y399 HydrophobicContact CD1-CG 4.28Å; N44-Y399 HydrophobicContact CB-CD1 4Å; N44-Y399 HydrophobicContact CB-CD2 4.2Å; N44-Y399 HydrophobicContact CB-CE1 3.51Å; N44-Y399 HydrophobicContact CB-CE2 3.75Å; N44-Y399 HydrophobicContact CB-CG 4.32Å; N44-Y399 VanDerWaalsContact CG-CZ 3.44Å; N44-Y399 PolarHBondContact OD1-OH 3.26Å; K47-Y399 HydrophobicContact CB-CD2 4.2Å; K47-Y399 HydrophobicContact CB-CE2 3.97Å; K47-Y399 HydrophobicContact CD-CE2 3.66Å; K47-Y399 HydrophobicContact CG-CE2 4.44Å; V62-Y399 WeakPolarHBondContact CG2-O 3.33Å; R397-Y399 PolarHBondContact O-N 2.73Å; Y399-L405 HydrophobicContact CD1-CB 4.41Å; Y399-L405 HydrophobicContact CD1-CD2 4.47Å; Y399-A406 WeakPolarHBondContact O-CB 3.32Å
400S97.5Very high93.8Very high1 Ų136.8 Ų36.81%0.00718%0.184CC..SBendtrans-75.1170.8-176.868.40000113.6T57 R397 E403 G404 A406 G407T57-S400 WeakPolarHBondContact O-CB 3.39Å; R397-S400 WeakPolarHBondContact O-CB 3.31Å; R397-S400 PolarHBondContact O-N 3.47Å; R397-S400 PolarHBondContact O-OG 2.87Å; S400-E403 PolarHBondContact OG-N 3.12Å; S400-G404 CarbonylContact O-C 3.52Å; S400-G404 VanDerWaalsContact O-CA 3.31Å; S400-G404 WeakPolarHBondContact O-CA 3.29Å; S400-G404 PolarHBondContact O-N 2.98Å; S400-G404 PolarHBondContact OG-N 2.86Å; S400-A406 PolarHBondContact O-N 3.05Å; S400-G407 PolarHBondContact O-N 3.24Å
401L98.5Very high94.3Very high1 Ų135.6 Ų35.61%0.00518%0.178CC..THydrogen-bonded Turntrans-67-49.4174.9-176.867.6000112M55 L64 F65 L350 G407 Y410 P424M55-L401 HydrophobicContact CG-CD2 4.29Å; L64-L401 HydrophobicContact CD2-CD2 3.96Å; F65-L401 HydrophobicContact CB-CD1 4.41Å; L350-L401 HydrophobicContact CD1-CD1 4.2Å; L350-L401 HydrophobicContact CD1-CG 4.31Å; L350-L401 WeakPolarHBondContact CD1-O 3.37Å; L401-G407 WeakPolarHBondContact O-CA 3.42Å; L401-G407 PolarHBondContact O-N 3.48Å; L401-Y410 HydrophobicContact CD1-CD2 4.07Å; L401-Y410 HydrophobicContact CD1-CG 4.5Å; L401-P424 HydrophobicContact CD1-CG 4.44Å; L401-P424 HydrophobicContact CD2-CB 4.49Å; L401-P424 HydrophobicContact CD2-CG 4.41Å
402M98.3Very high95Very high0 Ų034.1 Ų34.10%017%0.165CC..THydrogen-bonded Turntrans-89.6-26.6-168.7-64.5-64.5-66.200113.9Y56 W304 L350 C351 F423Y56-M402 HydrophobicContact CD1-CB 4Å; Y56-M402 HydrophobicContact CD1-CG 4.43Å; Y56-M402 HydrophobicContact CD2-CB 3.66Å; Y56-M402 HydrophobicContact CD2-CE 4.25Å; Y56-M402 HydrophobicContact CD2-CG 3.41Å; Y56-M402 VanDerWaalsContact CD2-CG 3.41Å; Y56-M402 HydrophobicContact CE1-CB 3.89Å; Y56-M402 HydrophobicContact CE2-CB 3.55Å; Y56-M402 HydrophobicContact CE2-CE 3.91Å; Y56-M402 HydrophobicContact CE2-CG 3.72Å; Y56-M402 HydrophobicContact CG-CB 3.85Å; Y56-M402 HydrophobicContact CG-CG 3.78Å; Y56-M402 WeakPolarHBondContact O-CB 3.42Å; Y56-M402 WeakPolarHBondContact O-CG 3.25Å; Y56-M402 PolarHBondContact O-N 3.49Å; W304-M402 HydrophobicContact CD2-CE 4.3Å; W304-M402 HydrophobicContact CE3-CE 3.88Å; W304-M402 HydrophobicContact CH2-CE 3.7Å; W304-M402 HydrophobicContact CZ2-CE 4.11Å; W304-M402 HydrophobicContact CZ3-CE 3.57Å; L350-M402 HydrophobicContact CB-CE 4.44Å; L350-M402 HydrophobicContact CB-SD 4.18Å; L350-M402 HydrophobicContact CD1-SD 4.2Å; L350-M402 PolarHBondContact N-O 2.86Å; C351-M402 HydrophobicContact CB-CB 4.3Å; C351-M402 HydrophobicContact CB-CE 4.12Å; C351-M402 WeakPolarHBondContact CB-O 3.41Å; C351-M402 PolarHBondContact N-O 2.65Å; M402-F423 HydrophobicContact CE-CE1 3.98Å; M402-F423 HydrophobicContact CE-CZ 3.68Å; M402-F423 HydrophobicContact SD-CE1 4.36Å; M402-F423 HydrophobicContact SD-CZ 4.23Å
403E96.2Very high95.6Very high27 Ų2730 Ų3013%0.12614%0.14CC..THydrogen-bonded Turntrans-109.4-22-178.6-58.5-176.5178.600113.8Y56 T57 A395 R397 S400Y56-E403 HydrophobicContact CE1-CG 4.3Å; T57-E403 HydrophobicContact CG2-CG 4.34Å; A395-E403 HydrophobicContact CB-CB 4.28Å; R397-E403 PolarHBondContact N-OE2 3.34Å; R397-E403 VanDerWaalsContact N-OE2 3.13Å; S400-E403 PolarHBondContact OG-N 3.12Å
404G96Very high96.3Very high0 Ų024.1 Ų24.10%012%0.118CC..SBendtrans-124.4-163.6-161.700000115.5P398 S400 A406 G407 T408P398-G404 WeakPolarHBondContact O-CA 3.49Å; S400-G404 CarbonylContact O-C 3.52Å; S400-G404 VanDerWaalsContact O-CA 3.31Å; S400-G404 WeakPolarHBondContact O-CA 3.29Å; S400-G404 PolarHBondContact O-N 2.98Å; S400-G404 PolarHBondContact OG-N 2.86Å; G404-A406 VanDerWaalsContact C-N 3.31Å; G404-A406 PolarHBondContact O-N 3.32Å; G404-G407 PolarHBondContact O-N 3Å; G404-G407 VanDerWaalsContact O-N 3.09Å; G404-T408 PolarHBondContact O-N 3.49Å; G404-T408 PolarHBondContact O-OG1 3.1Å
405L97.7Very high96.8Very high0 Ų017.5 Ų17.50%08%0.084CC..Hα-helixtrans-61.9-31.7-171.2-176.856.8000114L37 V40 L41 Y387 P398 Y399 G407 T408 L409L37-L405 HydrophobicContact CB-CD1 4.17Å; L37-L405 HydrophobicContact CD1-CD1 4.33Å; L37-L405 HydrophobicContact CD2-CD1 4.02Å; L37-L405 HydrophobicContact CG-CD1 4.4Å; V40-L405 HydrophobicContact CB-CD2 4.05Å; V40-L405 HydrophobicContact CG1-CD2 3.78Å; L41-L405 HydrophobicContact CB-CD2 3.92Å; L41-L405 HydrophobicContact CB-CG 4.36Å; Y387-L405 HydrophobicContact CD1-CD1 3.97Å; Y387-L405 HydrophobicContact CD2-CD1 3.99Å; Y387-L405 HydrophobicContact CE1-CB 4.06Å; Y387-L405 HydrophobicContact CE1-CD1 4.24Å; Y387-L405 HydrophobicContact CE2-CB 4.3Å; Y387-L405 HydrophobicContact CE2-CD1 4.29Å; Y387-L405 HydrophobicContact CG-CD1 3.85Å; Y387-L405 PolarHBondContact OH-N 3.16Å; P398-L405 PolarHBondContact O-N 3.24Å; Y399-L405 HydrophobicContact CD1-CB 4.41Å; Y399-L405 HydrophobicContact CD1-CD2 4.47Å; L405-G407 VanDerWaalsContact C-N 3.29Å; L405-G407 PolarHBondContact O-N 3.03Å; L405-T408 PolarHBondContact O-N 3.16Å; L405-L409 HydrophobicContact CD1-CD1 4.35Å; L405-L409 HydrophobicContact CD1-CG 4.24Å; L405-L409 HydrophobicContact CG-CD1 4.02Å; L405-L409 HydrophobicContact CG-CG 4.42Å; L405-L409 WeakPolarHBondContact O-CB 3.46Å; L405-L409 WeakPolarHBondContact O-CG 3.42Å; L405-L409 PolarHBondContact O-N 2.98Å
406A98.5Very high97.1Very high0 Ų017.6 Ų17.60%08%0.083CC..Hα-helixtrans-64.4-37.5176.600000111.3L41 V62 F65 Y399 S400 G404 Y410L41-A406 HydrophobicContact CD2-CB 4.02Å; V62-A406 HydrophobicContact CB-CB 4.46Å; V62-A406 HydrophobicContact CG1-CB 4.31Å; V62-A406 HydrophobicContact CG2-CB 4.13Å; F65-A406 HydrophobicContact CB-CB 4.14Å; F65-A406 HydrophobicContact CD1-CB 4.21Å; F65-A406 HydrophobicContact CG-CB 4.26Å; Y399-A406 WeakPolarHBondContact O-CB 3.32Å; S400-A406 PolarHBondContact O-N 3.05Å; G404-A406 VanDerWaalsContact C-N 3.31Å; G404-A406 PolarHBondContact O-N 3.32Å; A406-Y410 WeakPolarHBondContact O-CB 3.38Å; A406-Y410 PolarHBondContact O-N 3.23Å
407G98.5Very high97.4Very high0 Ų015 Ų150%07%0.069CC..Hα-helixtrans-66.5-43.8171.900000114S400 L401 G404 L405 L409 Y410 F411S400-G407 PolarHBondContact O-N 3.24Å; L401-G407 WeakPolarHBondContact O-CA 3.42Å; L401-G407 PolarHBondContact O-N 3.48Å; G404-G407 PolarHBondContact O-N 3Å; G404-G407 VanDerWaalsContact O-N 3.09Å; L405-G407 VanDerWaalsContact C-N 3.29Å; L405-G407 PolarHBondContact O-N 3.03Å; G407-L409 VanDerWaalsContact C-N 3.34Å; G407-L409 PolarHBondContact O-N 3.41Å; G407-Y410 WeakPolarHBondContact O-CB 3.43Å; G407-Y410 PolarHBondContact O-N 3.12Å; G407-F411 PolarHBondContact O-N 2.98Å; G407-F411 VanDerWaalsContact O-N 3.08Å
408T98.5Very high97.4Very high0 Ų010.8 Ų10.80%06%0.056CC..Hα-helixtrans-57.3-49.6174.3-51.90000110.4C348 C384 Y387 G404 L405 Y410 F411 L412C348-T408 VanDerWaalsContact C-OG1 3.31Å; C348-T408 HydrophobicContact CB-CG2 3.92Å; C348-T408 PolarHBondContact O-OG1 3.46Å; C384-T408 HydrophobicContact CB-CG2 3.81Å; Y387-T408 HydrophobicContact CD2-CG2 4.02Å; Y387-T408 WeakPolarHBondContact CD2-OG1 3.4Å; Y387-T408 WeakPolarHBondContact CE2-OG1 3.43Å; G404-T408 PolarHBondContact O-N 3.49Å; G404-T408 PolarHBondContact O-OG1 3.1Å; L405-T408 PolarHBondContact O-N 3.16Å; T408-Y410 VanDerWaalsContact C-N 3.32Å; T408-Y410 PolarHBondContact O-N 3.15Å; T408-F411 WeakPolarHBondContact O-CB 3.13Å; T408-F411 PolarHBondContact O-N 3.39Å; T408-L412 HydrophobicContact CG2-CD1 4.27Å; T408-L412 HydrophobicContact CG2-CG 4.45Å; T408-L412 WeakPolarHBondContact O-CG 3.47Å; T408-L412 PolarHBondContact O-N 3.36Å
409L98.7Very high97.4Very high0 Ų013.1 Ų13.10%07%0.07CC..Hα-helixtrans-63.2-36.2177-78.1165.3000112.5I34 L37 L38 L41 F65 L405 G407 F411 L412 V413I34-L409 HydrophobicContact CG2-CD2 4.18Å; L37-L409 HydrophobicContact CB-CD2 3.73Å; L37-L409 HydrophobicContact CB-CG 4.27Å; L38-L409 HydrophobicContact CD2-CD1 4.07Å; L38-L409 HydrophobicContact CG-CD1 4.33Å; L38-L409 HydrophobicContact CG-CD2 4.14Å; L41-L409 HydrophobicContact CB-CD1 4.07Å; L41-L409 HydrophobicContact CD2-CD1 3.7Å; F65-L409 HydrophobicContact CD2-CB 4.14Å; F65-L409 HydrophobicContact CE1-CB 4.11Å; F65-L409 HydrophobicContact CE1-CD1 3.98Å; F65-L409 HydrophobicContact CE2-CB 3.42Å; F65-L409 VanDerWaalsContact CE2-CB 3.42Å; F65-L409 HydrophobicContact CZ-CB 3.4Å; F65-L409 HydrophobicContact CZ-CD1 3.88Å; F65-L409 HydrophobicContact CZ-CG 4.15Å; L405-L409 HydrophobicContact CD1-CD1 4.35Å; L405-L409 HydrophobicContact CD1-CG 4.24Å; L405-L409 HydrophobicContact CG-CD1 4.02Å; L405-L409 HydrophobicContact CG-CG 4.42Å; L405-L409 WeakPolarHBondContact O-CB 3.46Å; L405-L409 WeakPolarHBondContact O-CG 3.42Å; L405-L409 PolarHBondContact O-N 2.98Å; G407-L409 VanDerWaalsContact C-N 3.34Å; G407-L409 PolarHBondContact O-N 3.41Å; L409-F411 VanDerWaalsContact C-N 3.3Å; L409-F411 PolarHBondContact O-N 3.21Å; L409-L412 PolarHBondContact O-N 3.16Å; L409-V413 WeakPolarHBondContact O-CB 3.37Å; L409-V413 VanDerWaalsContact O-CG2 3.29Å; L409-V413 WeakPolarHBondContact O-CG2 3.38Å; L409-V413 PolarHBondContact O-N 2.96Å
410Y98.8Very high97.2Very high23 Ų2317.7 Ų17.79%0.099%0.092CC..Hα-helixtrans-57-46173.6-162.3-72.7000110.9F65 F68 F359 L401 A406 G407 T408 G414 K422 P424F65-Y410 HydrophobicContact CB-CD2 4.22Å; F65-Y410 HydrophobicContact CD2-CD2 4.24Å; F68-Y410 HydrophobicContact CB-CD2 4.11Å; F68-Y410 HydrophobicContact CB-CE2 3.49Å; F68-Y410 VanDerWaalsContact CB-CE2 3.49Å; F68-Y410 HydrophobicContact CD1-CD1 4.15Å; F68-Y410 AromaticContact CD1-CD2 3.8Å; F68-Y410 HydrophobicContact CD1-CD2 3.8Å; F68-Y410 HydrophobicContact CD1-CE1 4.05Å; F68-Y410 AromaticContact CD1-CE2 3.69Å; F68-Y410 HydrophobicContact CD1-CE2 3.69Å; F68-Y410 HydrophobicContact CD1-CG 4.01Å; F68-Y410 AromaticContact CD1-CZ 3.81Å; F68-Y410 HydrophobicContact CD2-CE1 4.49Å; F68-Y410 HydrophobicContact CD2-CE2 4.28Å; F68-Y410 AromaticContact CD2-CZ 3.91Å; F68-Y410 HydrophobicContact CE1-CD1 4.11Å; F68-Y410 HydrophobicContact CE1-CE1 4.04Å; F68-Y410 HydrophobicContact CE1-CE2 4.49Å; F68-Y410 HydrophobicContact CE1-CG 4.34Å; F68-Y410 WeakPolarHBondContact CE1-O 3.44Å; F68-Y410 HydrophobicContact CG-CD2 4.13Å; F68-Y410 HydrophobicContact CG-CE1 4.27Å; F68-Y410 AromaticContact CG-CE2 3.56Å; F68-Y410 HydrophobicContact CG-CE2 3.56Å; F68-Y410 AromaticContact CG-CZ 3.63Å; F68-Y410 HydrophobicContact CZ-CE1 4.29Å; F359-Y410 HydrophobicContact CE2-CD1 4.11Å; F359-Y410 AromaticContact CZ-CD1 3.79Å; F359-Y410 HydrophobicContact CZ-CD1 3.79Å; F359-Y410 HydrophobicContact CZ-CE1 4.17Å; L401-Y410 HydrophobicContact CD1-CD2 4.07Å; L401-Y410 HydrophobicContact CD1-CG 4.5Å; A406-Y410 WeakPolarHBondContact O-CB 3.38Å; A406-Y410 PolarHBondContact O-N 3.23Å; G407-Y410 WeakPolarHBondContact O-CB 3.43Å; G407-Y410 PolarHBondContact O-N 3.12Å; T408-Y410 VanDerWaalsContact C-N 3.32Å; T408-Y410 PolarHBondContact O-N 3.15Å; Y410-G414 PolarHBondContact O-N 3.36Å; Y410-K422 WeakPolarHBondContact CE1-O 3.41Å; Y410-P424 HydrophobicContact CD1-CG 4.4Å; Y410-P424 HydrophobicContact CE1-CB 4.17Å; Y410-P424 HydrophobicContact CE1-CG 4.31Å; Y410-P424 HydrophobicContact CE2-CB 4.14Å
411F98.7Very high97.2Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-65.5-45.8175175-124.1000112.7L350 A355 F359 F380 A381 G407 T408 L409 V413 G414 I415L350-F411 HydrophobicContact CD2-CB 4.49Å; A355-F411 HydrophobicContact CB-CB 3.75Å; A355-F411 HydrophobicContact CB-CD1 3.79Å; A355-F411 HydrophobicContact CB-CG 4Å; F359-F411 HydrophobicContact CD1-CD2 4.23Å; F359-F411 HydrophobicContact CD2-CB 4.01Å; F359-F411 AromaticContact CD2-CD2 3.71Å; F359-F411 HydrophobicContact CD2-CD2 3.71Å; F359-F411 HydrophobicContact CD2-CG 4.18Å; F359-F411 HydrophobicContact CE1-CD2 4.24Å; F359-F411 HydrophobicContact CE2-CB 3.52Å; F359-F411 AromaticContact CE2-CD2 3.76Å; F359-F411 HydrophobicContact CE2-CD2 3.76Å; F359-F411 HydrophobicContact CE2-CG 4.08Å; F359-F411 AromaticContact CG-CD2 3.96Å; F359-F411 HydrophobicContact CG-CD2 3.96Å; F359-F411 HydrophobicContact CZ-CB 4.15Å; F359-F411 HydrophobicContact CZ-CD2 4.01Å; F380-F411 HydrophobicContact CB-CE1 4.37Å; F380-F411 HydrophobicContact CB-CZ 4.45Å; A381-F411 HydrophobicContact CB-CE1 3.75Å; A381-F411 HydrophobicContact CB-CZ 4.07Å; G407-F411 PolarHBondContact O-N 2.98Å; G407-F411 VanDerWaalsContact O-N 3.08Å; T408-F411 WeakPolarHBondContact O-CB 3.13Å; T408-F411 PolarHBondContact O-N 3.39Å; L409-F411 VanDerWaalsContact C-N 3.3Å; L409-F411 PolarHBondContact O-N 3.21Å; F411-V413 VanDerWaalsContact C-N 3.34Å; F411-V413 PolarHBondContact O-N 2.91Å; F411-G414 CarbonylContact O-C 3.54Å; F411-G414 WeakPolarHBondContact O-CA 3.4Å; F411-G414 PolarHBondContact O-N 3.44Å; F411-G414 VanDerWaalsContact O-N 3.11Å; F411-I415 HydrophobicContact CE2-CD1 4.11Å; F411-I415 HydrophobicContact CZ-CD1 4.22Å; F411-I415 PolarHBondContact O-N 3.04Å
412L98.4Very high97.1Very high0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-63.5-38.4179.8-64.9-179.8000112.3I30 I34 L37 A381 C384 T385 T408 L409 I415I30-L412 HydrophobicContact CG2-CB 4.44Å; I30-L412 HydrophobicContact CG2-CD2 4.25Å; I34-L412 HydrophobicContact CD1-CB 3.97Å; I34-L412 WeakPolarHBondContact CD1-O 3.37Å; I34-L412 HydrophobicContact CG1-CB 3.68Å; I34-L412 HydrophobicContact CG1-CD1 4.32Å; L37-L412 HydrophobicContact CD1-CD1 3.69Å; A381-L412 HydrophobicContact CB-CD2 3.82Å; A381-L412 VanDerWaalsContact O-CD2 3.3Å; A381-L412 WeakPolarHBondContact O-CD2 3.32Å; C384-L412 HydrophobicContact CB-CD2 4Å; T385-L412 HydrophobicContact CG2-CD1 4.5Å; T385-L412 HydrophobicContact CG2-CD2 4.3Å; T408-L412 HydrophobicContact CG2-CD1 4.27Å; T408-L412 HydrophobicContact CG2-CG 4.45Å; T408-L412 WeakPolarHBondContact O-CG 3.47Å; T408-L412 PolarHBondContact O-N 3.36Å; L409-L412 PolarHBondContact O-N 3.16Å; L412-I415 VanDerWaalsContact O-CG2 3.24Å; L412-I415 WeakPolarHBondContact O-CG2 3.47Å
413V98.1Very high97.1Very high1 Ų122.1 Ų22.11%0.00611%0.112CC..Hα-helixtrans-69-39.2173.1173.30000110.3I34 F65 F68 L69 C72 L77 L409 F411 I415 L416I34-V413 HydrophobicContact CD1-CG2 4.34Å; I34-V413 HydrophobicContact CG2-CG2 4.13Å; F65-V413 HydrophobicContact CE2-CG2 4.25Å; F68-V413 HydrophobicContact CD1-CB 4.41Å; F68-V413 HydrophobicContact CD1-CG1 4.1Å; F68-V413 HydrophobicContact CE1-CB 3.82Å; F68-V413 HydrophobicContact CE1-CG1 3.55Å; F68-V413 HydrophobicContact CZ-CG1 4.21Å; L69-V413 HydrophobicContact CD1-CG1 4.37Å; L69-V413 HydrophobicContact CD1-CG2 3.94Å; C72-V413 HydrophobicContact CB-CG1 4.17Å; L77-V413 HydrophobicContact CD1-CG1 4.16Å; L77-V413 HydrophobicContact CD1-CG2 4.31Å; L409-V413 WeakPolarHBondContact O-CB 3.37Å; L409-V413 VanDerWaalsContact O-CG2 3.29Å; L409-V413 WeakPolarHBondContact O-CG2 3.38Å; L409-V413 PolarHBondContact O-N 2.96Å; F411-V413 VanDerWaalsContact C-N 3.34Å; F411-V413 PolarHBondContact O-N 2.91Å; V413-I415 VanDerWaalsContact C-N 3.34Å; V413-I415 PolarHBondContact O-N 3.22Å; V413-L416 WeakPolarHBondContact O-CB 3.42Å; V413-L416 PolarHBondContact O-N 3.41Å
414G97.6Very high97.2Very high1 Ų121 Ų211%0.0111%0.107CC..Hα-helixtrans-59.5-40.217500000113.2Y410 F411 L416 D417 A421Y410-G414 PolarHBondContact O-N 3.36Å; F411-G414 CarbonylContact O-C 3.54Å; F411-G414 WeakPolarHBondContact O-CA 3.4Å; F411-G414 PolarHBondContact O-N 3.44Å; F411-G414 VanDerWaalsContact O-N 3.11Å; G414-L416 PolarHBondContact O-N 3.32Å; G414-L416 VanDerWaalsContact O-N 3.1Å; G414-D417 CarbonylContact O-C 3.29Å; G414-D417 PolarHBondContact O-N 2.86Å; G414-A421 WeakPolarHBondContact O-CB 3.47Å
415I97.3Very high97.3Very high0 Ų021.5 Ų21.50%011%0.11CC..Hα-helixtrans-64.2-19.5-179.8-148.668.3000112.6V25 I30 L362 A377 I378 A381 F411 L412 V413 D417 P418V25-I415 HydrophobicContact CG1-CG2 3.94Å; V25-I415 HydrophobicContact CG2-CG1 4.13Å; V25-I415 HydrophobicContact CG2-CG2 4.41Å; V25-I415 WeakPolarHBondContact CG2-O 3.3Å; I30-I415 HydrophobicContact CD1-CG2 4.18Å; I30-I415 HydrophobicContact CG2-CG2 3.96Å; L362-I415 HydrophobicContact CD1-CD1 4.31Å; L362-I415 HydrophobicContact CD2-CD1 4.34Å; A377-I415 HydrophobicContact CB-CD1 3.93Å; I378-I415 HydrophobicContact CG1-CD1 4.34Å; I378-I415 HydrophobicContact CG1-CG1 4.06Å; A381-I415 HydrophobicContact CB-CB 4.25Å; A381-I415 HydrophobicContact CB-CG1 4.05Å; A381-I415 HydrophobicContact CB-CG2 4Å; F411-I415 HydrophobicContact CE2-CD1 4.11Å; F411-I415 HydrophobicContact CZ-CD1 4.22Å; F411-I415 PolarHBondContact O-N 3.04Å; L412-I415 VanDerWaalsContact O-CG2 3.24Å; L412-I415 WeakPolarHBondContact O-CG2 3.47Å; V413-I415 VanDerWaalsContact C-N 3.34Å; V413-I415 PolarHBondContact O-N 3.22Å; I415-D417 PolarHBondContact O-N 2.98Å; I415-P418 WeakPolarHBondContact O-CD 3.39Å
416L96.5Very high97.2Very high18 Ų1821.8 Ų21.89%0.09411%0.111CC..THydrogen-bonded Turntrans-70.5-20.1174.1-51.6-175.4000112.9V25 I30 P31 I34 C74 L76 L77 V413 G414V25-L416 HydrophobicContact CG1-CD2 3.54Å; I30-L416 HydrophobicContact CG2-CD2 4.32Å; P31-L416 HydrophobicContact CG-CD2 4.13Å; I34-L416 HydrophobicContact CD1-CD1 3.83Å; I34-L416 HydrophobicContact CD1-CD2 4.09Å; I34-L416 HydrophobicContact CD1-CG 4.08Å; C74-L416 HydrophobicContact CB-CB 4.11Å; L76-L416 HydrophobicContact CD1-CD2 4.43Å; L77-L416 HydrophobicContact CD1-CD1 3.58Å; L77-L416 HydrophobicContact CD2-CD1 3.88Å; L77-L416 HydrophobicContact CG-CD1 3.48Å; L77-L416 VanDerWaalsContact CG-CD1 3.48Å; V413-L416 WeakPolarHBondContact O-CB 3.42Å; V413-L416 PolarHBondContact O-N 3.41Å; G414-L416 PolarHBondContact O-N 3.32Å; G414-L416 VanDerWaalsContact O-N 3.1Å
417D95.1Very high97Very high65 Ų6522.1 Ų22.135%0.34811%0.113SC..SBendtrans-132.872.8171.9-176.64.3000109.7G414 I415 V419 H420 A421G414-D417 CarbonylContact O-C 3.29Å; G414-D417 PolarHBondContact O-N 2.86Å; I415-D417 PolarHBondContact O-N 2.98Å; D417-V419 PolarHBondContact O-N 3.41Å; D417-V419 VanDerWaalsContact O-N 3.08Å; D417-H420 VanDerWaalsContact CG-ND1 3.32Å; D417-H420 PolarHBondContact O-N 3.05Å; D417-H420 IonicContact OD1-CE1 3.51Å; D417-H420 IonicContact OD1-CG 3.5Å; D417-H420 IonicContact OD1-ND1 3.58Å; D417-H420 PolarHBondContact OD1-ND1 3.19Å; D417-H420 IonicContact OD2-CG 3.57Å; D417-H420 IonicContact OD2-ND1 2.68Å; D417-H420 PolarHBondContact OD2-ND1 3.08Å; D417-A421 WeakPolarHBondContact O-CB 3.42Å; D417-A421 PolarHBondContact O-N 2.95Å
418P95Very high96.6Very high23 Ų2322.2 Ų22.215%0.14912%0.115CC..THydrogen-bonded Turntrans-66.3-15.8-171.327.1-33.7000113.2L362 Y365 Q366 L374 I415L362-P418 HydrophobicContact CD1-CB 3.6Å; L362-P418 WeakPolarHBondContact CD1-O 3.24Å; Y365-P418 HydrophobicContact CE1-CB 4.38Å; Q366-P418 WeakPolarHBondContact CG-O 3.4Å; Q366-P418 PolarHBondContact NE2-O 2.98Å; L374-P418 HydrophobicContact CD1-CB 3.5Å; L374-P418 HydrophobicContact CD1-CG 3.93Å; I415-P418 WeakPolarHBondContact O-CD 3.39Å
419V94.3Very high96.2Very high80 Ų8024.3 Ų24.349%0.48513%0.126SC..THydrogen-bonded Turntrans-76.4-36.8179.71780000111.2D417D417-V419 PolarHBondContact O-N 3.41Å; D417-V419 VanDerWaalsContact O-N 3.08Å
420H94Very high96Very high132 Ų13225.5 Ų25.561%0.61113%0.132SC*.THydrogen-bonded Turntrans-109.8-11.4-174-52.7101.2000114.2D417 K422D417-H420 VanDerWaalsContact CG-ND1 3.32Å; D417-H420 PolarHBondContact O-N 3.05Å; D417-H420 IonicContact OD1-CE1 3.51Å; D417-H420 IonicContact OD1-CG 3.5Å; D417-H420 IonicContact OD1-ND1 3.58Å; D417-H420 PolarHBondContact OD1-ND1 3.19Å; D417-H420 IonicContact OD2-CG 3.57Å; D417-H420 IonicContact OD2-ND1 2.68Å; D417-H420 PolarHBondContact OD2-ND1 3.08Å; H420-K422 PolarHBondContact O-N 3.44Å
421A96.3Very high95.9Very high6 Ų625.6 Ų25.65%0.0513%0.134CC..  trans-63.7135.3-178.700000112.7F359 L362 Q366 G414 D417F359-A421 HydrophobicContact CE1-CB 4.34Å; L362-A421 HydrophobicContact CD2-CB 3.79Å; Q366-A421 PolarHBondContact NE2-O 3.43Å; G414-A421 WeakPolarHBondContact O-CB 3.47Å; D417-A421 WeakPolarHBondContact O-CB 3.42Å; D417-A421 PolarHBondContact O-N 2.95Å
422K97.2Very high95.7Very high80 Ų8027.1 Ų27.135%0.34814%0.141SC..  trans-131.6146.9-178.5-73.6177.8174.6-179.60109.8E177 F359 Y410 H420E177-K422 IonicContact OE1-NZ 2.73Å; E177-K422 PolarHBondContact OE1-NZ 3.15Å; F359-K422 VanDerWaalsContact CE1-C 3.43Å; F359-K422 WeakPolarHBondContact CE1-O 3.46Å; Y410-K422 WeakPolarHBondContact CE1-O 3.41Å; H420-K422 PolarHBondContact O-N 3.44Å
423F98.5Very high95.6Very high9 Ų928.6 Ų28.64%0.03915%0.15CC..  trans-57.2134.5164.6-168.9-81.7000109W304 L350 F359 M402 L425 S427W304-F423 AromaticContact CD1-CE2 3.84Å; W304-F423 AromaticContact CD1-CZ 3.68Å; W304-F423 HydrophobicContact CD2-CE1 4.37Å; W304-F423 AromaticContact CD2-CZ 3.93Å; W304-F423 HydrophobicContact CD2-CZ 3.93Å; W304-F423 AromaticContact CE2-CE1 3.69Å; W304-F423 AromaticContact CE2-CZ 3.73Å; W304-F423 HydrophobicContact CG-CE2 4.17Å; W304-F423 AromaticContact CG-CZ 3.9Å; W304-F423 HydrophobicContact CG-CZ 3.9Å; W304-F423 AromaticContact CZ2-CE1 3.98Å; W304-F423 HydrophobicContact CZ2-CE1 3.98Å; W304-F423 HydrophobicContact CZ2-CZ 4.33Å; W304-F423 AromaticContact NE1-CD1 3.98Å; W304-F423 AromaticContact NE1-CE1 3.5Å; W304-F423 AromaticContact NE1-CZ 3.56Å; L350-F423 HydrophobicContact CB-CE2 3.79Å; L350-F423 HydrophobicContact CB-CZ 3.85Å; L350-F423 HydrophobicContact CD1-CZ 4.49Å; L350-F423 HydrophobicContact CD2-CD2 4.49Å; L350-F423 HydrophobicContact CD2-CE2 4.12Å; L350-F423 HydrophobicContact CG-CE2 4.37Å; F359-F423 HydrophobicContact CB-CB 4.4Å; F359-F423 HydrophobicContact CB-CD2 3.99Å; F359-F423 HydrophobicContact CD1-CB 4.45Å; F359-F423 AromaticContact CD2-CD2 3.92Å; F359-F423 HydrophobicContact CD2-CD2 3.92Å; F359-F423 HydrophobicContact CG-CB 4.26Å; F359-F423 HydrophobicContact CG-CD2 4.1Å; M402-F423 HydrophobicContact CE-CE1 3.98Å; M402-F423 HydrophobicContact CE-CZ 3.68Å; M402-F423 HydrophobicContact SD-CE1 4.36Å; M402-F423 HydrophobicContact SD-CZ 4.23Å; F423-L425 PolarHBondContact O-N 3.42Å; F423-S427 PolarHBondContact O-OG 2.77Å
424P98.1Very high95.4Very high3 Ų330.4 Ų30.42%0.01916%0.159CC..SBendtrans-63.3132.7-175.424.4-33.5000111.2L64 L350 L401 Y410 L426L64-P424 HydrophobicContact CD2-CB 4.2Å; L350-P424 HydrophobicContact CD1-CG 3.58Å; L401-P424 HydrophobicContact CD1-CG 4.44Å; L401-P424 HydrophobicContact CD2-CB 4.49Å; L401-P424 HydrophobicContact CD2-CG 4.41Å; Y410-P424 HydrophobicContact CD1-CG 4.4Å; Y410-P424 HydrophobicContact CE1-CB 4.17Å; Y410-P424 HydrophobicContact CE1-CG 4.31Å; Y410-P424 HydrophobicContact CE2-CB 4.14Å; P424-L426 PolarHBondContact O-N 2.82Å
425L98.1Very high95.3Very high11 Ų1132.3 Ų32.36%0.05817%0.169CC..SBendtrans68.3-31.7171.7-50.4161.8000116.5M55 L64 V111 Y112 N170 T174 F423M55-L425 HydrophobicContact CG-CD1 3.63Å; L64-L425 HydrophobicContact CD2-CD1 4.13Å; L64-L425 HydrophobicContact CD2-CD2 4.23Å; L64-L425 HydrophobicContact CD2-CG 4.11Å; V111-L425 HydrophobicContact CG1-CD1 4.08Å; V111-L425 HydrophobicContact CG1-CD2 4.42Å; V111-L425 HydrophobicContact CG2-CD1 4.49Å; V111-L425 HydrophobicContact CG2-CD2 4.21Å; Y112-L425 HydrophobicContact CD1-CD1 4.27Å; Y112-L425 HydrophobicContact CE1-CB 4.3Å; Y112-L425 HydrophobicContact CE1-CD1 3.83Å; Y112-L425 WeakPolarHBondContact OH-CB 3.3Å; N170-L425 WeakPolarHBondContact CB-O 3.38Å; T174-L425 HydrophobicContact CG2-CD2 4.24Å; F423-L425 PolarHBondContact O-N 3.42Å
426L96.1Very high95.1Very high6 Ų634.6 Ų34.63%0.03118%0.181CC..  trans-136.370.8-179.5-174.265.4000111.3Y112 A161 A240 T249 T250 W304 P424Y112-L426 WeakPolarHBondContact OH-CB 3.4Å; A161-L426 HydrophobicContact CB-CD2 4.46Å; A240-L426 HydrophobicContact CB-CD2 3.96Å; T249-L426 HydrophobicContact CG2-CD1 4.4Å; T250-L426 WeakPolarHBondContact OG1-CD1 3.32Å; W304-L426 HydrophobicContact CZ2-CB 4.41Å; W304-L426 HydrophobicContact CZ2-CD2 3.67Å; P424-L426 PolarHBondContact O-N 2.82Å
427S93.4Very high95Very high6 Ų635.9 Ų35.94%0.04219%0.187CC..  trans-101.5159.7165.241.30000110.2K253 F423K253-S427 PolarHBondContact NZ-OG 2.91Å; F423-S427 PolarHBondContact O-OG 2.77Å
428G90.5Very high95Very high3 Ų333.5 Ų33.53%0.03117%0.174CC..  trans-68.2-168.1171.700000113.8S317 E363S317-G428 WeakPolarHBondContact OG-CA 3.47Å; E363-G428 WeakPolarHBondContact OE1-CA 3.45Å; E363-G428 PolarHBondContact OE1-N 3.35Å; E363-G428 VanDerWaalsContact OE1-N 3.16Å; E363-G428 PolarHBondContact OE2-N 3.42Å
429L89.1Confident95Very high43 Ų4334.5 Ų34.523%0.22518%0.176CC..  trans-67.40-173.2-78.7-179.6000116.3K253 R256 S317 K320 I321K253-L429 HydrophobicContact CB-CD2 4.02Å; K253-L429 HydrophobicContact CG-CD2 4.05Å; R256-L429 HydrophobicContact CB-CD2 3.76Å; R256-L429 HydrophobicContact CG-CD2 4.28Å; S317-L429 PolarHBondContact OG-N 2.93Å; S317-L429 VanDerWaalsContact OG-N 3.13Å; K320-L429 HydrophobicContact CB-CB 4.46Å; K320-L429 HydrophobicContact CB-CD1 4.23Å; K320-L429 HydrophobicContact CD-CB 3.82Å; K320-L429 PolarHBondContact NZ-O 3.23Å; I321-L429 HydrophobicContact CD1-CD1 3.65Å; I321-L429 HydrophobicContact CG1-CD1 3.54Å

Retrieved 429 of 429 residues in 485.8 ms (Link to these results)

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