A0A077ZE41_TRITR Loading...

3-hydroxy-3-methylglutaryl coenzyme A reductase

AlphaFold DB , UniProt , Accession A0A077ZE41, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 451 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
1M88.9Confident90.7Very high46 Ų4681.8 Ų81.823%0.22742%0.415CS..  0-57.10-62-175.2-75.600112.5E3 G4 L6 L11 I24 W28M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.48Å; M1-G4 PolarHBondContact O-N 3.38Å; M1-L6 WeakPolarHBondContact CA-O 3.41Å; M1-L6 HydrophobicContact CG-CB 4.32Å; M1-L6 HydrophobicContact CG-CD2 4.24Å; M1-L6 HydrophobicContact CG-CG 4.14Å; M1-L6 WeakPolarHBondContact CG-O 3.34Å; M1-L11 HydrophobicContact CE-CD1 4.04Å; M1-L11 HydrophobicContact CE-CD2 4.26Å; M1-L11 HydrophobicContact SD-CD1 3.88Å; M1-L11 HydrophobicContact SD-CD2 4.37Å; M1-L11 HydrophobicContact SD-CG 4.33Å; M1-I24 HydrophobicContact CE-CG2 3.48Å; M1-I24 VanDerWaalsContact CE-CG2 3.48Å; M1-W28 VanDerWaalsContact CB-CD1 3.41Å; M1-W28 HydrophobicContact CB-CD2 4.14Å; M1-W28 HydrophobicContact CB-CG 3.83Å; M1-W28 HydrophobicContact CE-CB 3.55Å; M1-W28 HydrophobicContact CE-CG 3.85Å; M1-W28 HydrophobicContact CG-CG 4.48Å; M1-W28 HydrophobicContact SD-CB 4.08Å; M1-W28 HydrophobicContact SD-CD2 3.93Å; M1-W28 HydrophobicContact SD-CE3 4.28Å; M1-W28 HydrophobicContact SD-CG 3.82Å
2N87.1Confident90.9Very high142 Ų14277.5 Ų77.576%0.75939%0.392SS*.THydrogen-bonded Turntrans-53.8-40.4180-71.3-17.3000114.6G4 W28N2-G4 VanDerWaalsContact C-N 3.3Å; N2-G4 PolarHBondContact O-N 2.73Å; N2-W28 PolarHBondContact OD1-NE1 2.88Å
3E91.8Very high90.9Very high146 Ų14679.3 Ų79.368%0.68242%0.416SS*.THydrogen-bonded Turntrans-87.19178.2-59.6178.3-177.800113.7M1 K5M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.48Å; E3-K5 HydrophobicContact CB-CD 4.36Å; E3-K5 HydrophobicContact CB-CG 4.26Å; E3-K5 PolarHBondContact O-N 2.63Å; E3-K5 VanDerWaalsContact O-N 3.09Å; E3-K5 WeakPolarHBondContact OE2-CD 3.28Å; E3-K5 WeakPolarHBondContact OE2-CE 3.28Å; E3-K5 IonicContact OE2-NZ 2.69Å; E3-K5 PolarHBondContact OE2-NZ 3.22Å
4G88.8Confident91Very high48 Ų4881.2 Ų81.250%0.49543%0.425SS..SBendtrans71.6-3.3-176.600000115.9M1 N2 L6M1-G4 PolarHBondContact O-N 3.38Å; N2-G4 VanDerWaalsContact C-N 3.3Å; N2-G4 PolarHBondContact O-N 2.73Å; G4-L6 VanDerWaalsContact C-N 3.27Å; G4-L6 PolarHBondContact O-N 2.84Å
5K91.9Very high91.1Very high176 Ų17678.7 Ų78.777%0.76541%0.412SS*.SBendtrans-69.6-16.2-179.2-66.3177.5178.8161.50115.7E3E3-K5 HydrophobicContact CB-CD 4.36Å; E3-K5 HydrophobicContact CB-CG 4.26Å; E3-K5 PolarHBondContact O-N 2.63Å; E3-K5 VanDerWaalsContact O-N 3.09Å; E3-K5 WeakPolarHBondContact OE2-CD 3.28Å; E3-K5 WeakPolarHBondContact OE2-CE 3.28Å; E3-K5 IonicContact OE2-NZ 2.69Å; E3-K5 PolarHBondContact OE2-NZ 3.22Å
6L91.4Very high90.9Very high58 Ų5880.8 Ų80.830%0.30444%0.444SS..SBendtrans-141.3130.3179.517264.2000108.1M1 G4 A10 L11 I14M1-L6 WeakPolarHBondContact CA-O 3.41Å; M1-L6 HydrophobicContact CG-CB 4.32Å; M1-L6 HydrophobicContact CG-CD2 4.24Å; M1-L6 HydrophobicContact CG-CG 4.14Å; M1-L6 WeakPolarHBondContact CG-O 3.34Å; G4-L6 VanDerWaalsContact C-N 3.27Å; G4-L6 PolarHBondContact O-N 2.84Å; L6-A10 HydrophobicContact CD1-CB 4.2Å; L6-L11 HydrophobicContact CD2-CD2 3.94Å; L6-I14 HydrophobicContact CD1-CD1 3.3Å; L6-I14 HydrophobicContact CD2-CD1 4.37Å; L6-I14 HydrophobicContact CG-CD1 4.47Å
7Q91.8Very high91Very high100 Ų10080.8 Ų80.847%0.46744%0.444SS..  trans-83142.2176.1-58.6-58.9-32.400110.9Y9 A10Q7-Y9 VanDerWaalsContact C-N 3.3Å; Q7-Y9 HydrophobicContact CB-CD1 3.81Å; Q7-Y9 HydrophobicContact CB-CE1 3.38Å; Q7-Y9 HydrophobicContact CB-CE2 4.37Å; Q7-Y9 HydrophobicContact CB-CG 4.46Å; Q7-Y9 HydrophobicContact CG-CE1 3.8Å; Q7-Y9 PolarHBondContact O-N 3.41Å; Q7-A10 PolarHBondContact O-N 2.89Å
8S90.2Very high91.2Very high15 Ų1577.9 Ų77.911%0.10543%0.428CS..G310 helixtrans-64.6-31.3-175.458.30000114.1A10 L11 R25 N59S8-A10 PolarHBondContact O-N 2.73Å; S8-L11 WeakPolarHBondContact O-CD1 3.31Å; S8-L11 WeakPolarHBondContact O-CG 3.25Å; S8-R25 PolarHBondContact O-NE 3.44Å; S8-R25 VanDerWaalsContact O-NE 3.17Å; S8-R25 PolarHBondContact O-NH2 2.74Å; S8-N59 PolarHBondContact OG-OD1 3.08Å
9Y88.9Confident91.4Very high142 Ų14276.5 Ų76.556%0.55742%0.419SS*.G310 helixtrans-75-11.5179.963.6-100.1000112.8Q7 N59Q7-Y9 VanDerWaalsContact C-N 3.3Å; Q7-Y9 HydrophobicContact CB-CD1 3.81Å; Q7-Y9 HydrophobicContact CB-CE1 3.38Å; Q7-Y9 HydrophobicContact CB-CE2 4.37Å; Q7-Y9 HydrophobicContact CB-CG 4.46Å; Q7-Y9 HydrophobicContact CG-CE1 3.8Å; Q7-Y9 PolarHBondContact O-N 3.41Å; Y9-N59 WeakPolarHBondContact CA-OD1 3.29Å; Y9-N59 WeakPolarHBondContact CB-OD1 3.29Å; Y9-N59 PolarHBondContact N-OD1 3.17Å
10A92.5Very high91.6Very high20 Ų2077.5 Ų77.517%0.16542%0.42CS..G310 helixtrans-90.5-1.2-17800000113.1L6 Q7 S8 E12 S13 I14L6-A10 HydrophobicContact CD1-CB 4.2Å; Q7-A10 PolarHBondContact O-N 2.89Å; S8-A10 PolarHBondContact O-N 2.73Å; A10-E12 PolarHBondContact O-N 3.45Å; A10-S13 PolarHBondContact O-N 3.37Å; A10-S13 VanDerWaalsContact O-N 3.16Å; A10-S13 PolarHBondContact O-OG 2.97Å; A10-I14 HydrophobicContact CB-CD1 4.41Å; A10-I14 WeakPolarHBondContact O-CG1 3.17Å; A10-I14 PolarHBondContact O-N 3.24Å
11L94.3Very high91.8Very high7 Ų773.8 Ų73.84%0.03740%0.4CS..Hα-helixtrans-61.6-43-174.2-72.5169.7000112.4M1 L6 S8 S13 I14 L15 A21 I24 R25M1-L11 HydrophobicContact CE-CD1 4.04Å; M1-L11 HydrophobicContact CE-CD2 4.26Å; M1-L11 HydrophobicContact SD-CD1 3.88Å; M1-L11 HydrophobicContact SD-CD2 4.37Å; M1-L11 HydrophobicContact SD-CG 4.33Å; L6-L11 HydrophobicContact CD2-CD2 3.94Å; S8-L11 WeakPolarHBondContact O-CD1 3.31Å; S8-L11 WeakPolarHBondContact O-CG 3.25Å; L11-S13 PolarHBondContact O-N 2.91Å; L11-I14 PolarHBondContact O-N 3.42Å; L11-L15 HydrophobicContact CB-CD1 4.32Å; L11-L15 HydrophobicContact CD2-CD1 4.25Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.36Å; L11-A21 HydrophobicContact CB-CB 3.73Å; L11-A21 WeakPolarHBondContact CD1-O 3.31Å; L11-I24 HydrophobicContact CD1-CB 4.5Å; L11-I24 HydrophobicContact CD1-CG2 4.12Å; L11-I24 HydrophobicContact CD2-CG2 4.1Å; L11-R25 HydrophobicContact CD1-CB 3.81Å
12E93.2Very high92.2Very high30 Ų3071.6 Ų71.614%0.1439%0.39CS..Hα-helixtrans-63.6-27.4178.2-67.580.1-177.800112.1A10 I14 D18 A21 R25 T53A10-E12 PolarHBondContact O-N 3.45Å; E12-I14 VanDerWaalsContact C-N 3.31Å; E12-I14 PolarHBondContact O-N 2.91Å; E12-D18 HydrophobicContact CG-CB 4.5Å; E12-A21 HydrophobicContact CG-CB 3.9Å; E12-R25 IonicContact OE1-CZ 3.53Å; E12-R25 IonicContact OE1-NH1 3.54Å; E12-R25 PolarHBondContact OE1-NH1 3.04Å; E12-R25 IonicContact OE1-NH2 3.21Å; E12-R25 PolarHBondContact OE1-NH2 2.92Å; E12-R25 IonicContact OE2-CZ 3.7Å; E12-R25 IonicContact OE2-NH2 3.15Å; E12-R25 PolarHBondContact OE2-NH2 3.33Å; E12-T53 HydrophobicContact CB-CG2 3.74Å; E12-T53 HydrophobicContact CG-CG2 3.84Å
13S91.3Very high92.5Very high101 Ų10166.5 Ų66.571%0.70637%0.365SS*.Hα-helixtrans-78.8-13.717671.20000114.1A10 L11A10-S13 PolarHBondContact O-N 3.37Å; A10-S13 VanDerWaalsContact O-N 3.16Å; A10-S13 PolarHBondContact O-OG 2.97Å; L11-S13 PolarHBondContact O-N 2.91Å
14I92.7Very high92.7Very high106 Ų10662.1 Ų62.154%0.54435%0.346SS..Hα-helixtrans-109.6-36.6-174.2-63166.7000111L6 A10 L11 E12L6-I14 HydrophobicContact CD1-CD1 3.3Å; L6-I14 HydrophobicContact CD2-CD1 4.37Å; L6-I14 HydrophobicContact CG-CD1 4.47Å; A10-I14 HydrophobicContact CB-CD1 4.41Å; A10-I14 WeakPolarHBondContact O-CG1 3.17Å; A10-I14 PolarHBondContact O-N 3.24Å; L11-I14 PolarHBondContact O-N 3.42Å; E12-I14 VanDerWaalsContact C-N 3.31Å; E12-I14 PolarHBondContact O-N 2.91Å
15L92.3Very high92.9Very high44 Ų4460 Ų6023%0.2332%0.323CS..  trans-93.5148.3-179.3-60.1170.7000109.6L11 E20 A21 I24L11-L15 HydrophobicContact CB-CD1 4.32Å; L11-L15 HydrophobicContact CD2-CD1 4.25Å; L11-L15 WeakPolarHBondContact O-CB 3.37Å; L11-L15 WeakPolarHBondContact O-CG 3.36Å; L11-L15 PolarHBondContact O-N 3.36Å; L15-E20 HydrophobicContact CD1-CG 4.42Å; L15-A21 HydrophobicContact CD1-CB 3.97Å; L15-I24 HydrophobicContact CD1-CD1 3.79Å
16A87.5Confident93Very high112 Ų11252.6 Ų52.693%0.92629%0.29SS*.SBendtrans-81.3-19.5177.500000113
17D92.8Very high92.9Very high81 Ų8156.3 Ų56.343%0.43331%0.306SS..  trans-116.8114.7-178.5-179.711.5000110.7L19 E20 A21D17-L19 PolarHBondContact O-N 2.85Å; D17-L19 WeakPolarHBondContact OD1-CB 3.34Å; D17-L19 PolarHBondContact OD1-N 3.37Å; D17-E20 HydrophobicContact CB-CB 4Å; D17-E20 WeakPolarHBondContact O-CB 3.34Å; D17-E20 PolarHBondContact O-N 3.44Å; D17-E20 VanDerWaalsContact O-N 3.11Å; D17-A21 PolarHBondContact O-N 2.8Å
18D94Very high92.9Very high29 Ų2954.6 Ų54.616%0.15530%0.295CS..Hα-helixtrans-61.7-30.8176.8-71.7-6.1000112.1E12 E20 A21 V22 T53E12-D18 HydrophobicContact CG-CB 4.5Å; D18-E20 VanDerWaalsContact C-N 3.32Å; D18-E20 PolarHBondContact O-N 3.3Å; D18-A21 WeakPolarHBondContact O-CB 3.48Å; D18-A21 PolarHBondContact O-N 3.44Å; D18-V22 WeakPolarHBondContact O-CG2 3.09Å; D18-V22 PolarHBondContact O-N 2.89Å; D18-T53 WeakPolarHBondContact OD2-CB 3.44Å; D18-T53 PolarHBondContact OD2-OG1 3.35Å
19L95.2Very high92.9Very high50 Ų5057.6 Ų57.626%0.26231%0.307SS..Hα-helixtrans-66.2-38.4175.8179.464000111.1D17 V22 S23 F44 Y49D17-L19 PolarHBondContact O-N 2.85Å; D17-L19 WeakPolarHBondContact OD1-CB 3.34Å; D17-L19 PolarHBondContact OD1-N 3.37Å; L19-V22 PolarHBondContact O-N 3Å; L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3.44Å; L19-F44 HydrophobicContact CD1-CD2 3.81Å; L19-F44 HydrophobicContact CD1-CE2 4.07Å; L19-F44 WeakPolarHBondContact CD1-O 3.23Å; L19-Y49 HydrophobicContact CB-CD2 4.41Å; L19-Y49 HydrophobicContact CD1-CD2 4.18Å; L19-Y49 HydrophobicContact CD1-CE2 3.68Å
20E95.7Very high92.9Very high96 Ų9653.1 Ų53.145%0.44930%0.299SS..Hα-helixtrans-64.7-43.6173.4-170.7179.4-170.400110.8L15 D17 D18 V22 S23 I24L15-E20 HydrophobicContact CD1-CG 4.42Å; D17-E20 HydrophobicContact CB-CB 4Å; D17-E20 WeakPolarHBondContact O-CB 3.34Å; D17-E20 PolarHBondContact O-N 3.44Å; D17-E20 VanDerWaalsContact O-N 3.11Å; D18-E20 VanDerWaalsContact C-N 3.32Å; D18-E20 PolarHBondContact O-N 3.3Å; E20-V22 PolarHBondContact O-N 2.84Å; E20-S23 WeakPolarHBondContact O-CB 3.45Å; E20-S23 PolarHBondContact O-N 3.21Å; E20-I24 HydrophobicContact CG-CD1 3.9Å; E20-I24 HydrophobicContact CG-CG1 4.47Å; E20-I24 WeakPolarHBondContact O-CG1 3.43Å; E20-I24 PolarHBondContact O-N 3.48Å
21A96Very high92.6Very high0 Ų055.2 Ų55.20%032%0.322CS..Hα-helixtrans-56.6-47.2174.700000112L11 E12 L15 D17 D18 I24 R25L11-A21 HydrophobicContact CB-CB 3.73Å; L11-A21 WeakPolarHBondContact CD1-O 3.31Å; E12-A21 HydrophobicContact CG-CB 3.9Å; L15-A21 HydrophobicContact CD1-CB 3.97Å; D17-A21 PolarHBondContact O-N 2.8Å; D18-A21 WeakPolarHBondContact O-CB 3.48Å; D18-A21 PolarHBondContact O-N 3.44Å; A21-I24 PolarHBondContact O-N 3.38Å; A21-R25 WeakPolarHBondContact O-CB 3.23Å; A21-R25 PolarHBondContact O-N 3.18Å
22V96.1Very high92.2Very high0 Ų058.9 Ų58.90%035%0.345CS..Hα-helixtrans-61.7-44.7175.5172.50000111.2D18 L19 E20 R25 R26 F44 Y49 V60D18-V22 WeakPolarHBondContact O-CG2 3.09Å; D18-V22 PolarHBondContact O-N 2.89Å; L19-V22 PolarHBondContact O-N 3Å; E20-V22 PolarHBondContact O-N 2.84Å; V22-R25 PolarHBondContact O-N 3.46Å; V22-R26 HydrophobicContact CG1-CG 4.33Å; V22-R26 WeakPolarHBondContact O-CB 3.35Å; V22-R26 WeakPolarHBondContact O-CD 3.28Å; V22-R26 WeakPolarHBondContact O-CG 3.32Å; V22-R26 PolarHBondContact O-N 3.31Å; V22-F44 HydrophobicContact CG1-CB 4.11Å; V22-F44 HydrophobicContact CG1-CD2 4.19Å; V22-Y49 HydrophobicContact CB-CE2 4.33Å; V22-Y49 HydrophobicContact CG1-CE2 4.36Å; V22-Y49 HydrophobicContact CG2-CD1 4.07Å; V22-Y49 HydrophobicContact CG2-CD2 4.05Å; V22-Y49 HydrophobicContact CG2-CE1 4.09Å; V22-Y49 HydrophobicContact CG2-CE2 4.07Å; V22-Y49 HydrophobicContact CG2-CG 4.05Å; V22-V60 HydrophobicContact CG2-CB 4.05Å; V22-V60 HydrophobicContact CG2-CG1 3.94Å
23S95Very high91.7Very high36 Ų3659.1 Ų59.125%0.25235%0.35SS..Hα-helixtrans-60-48.8178.6-176.70000112.5L19 E20 R26 Q27L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3.44Å; E20-S23 WeakPolarHBondContact O-CB 3.45Å; E20-S23 PolarHBondContact O-N 3.21Å; S23-R26 WeakPolarHBondContact O-CB 3.37Å; S23-R26 PolarHBondContact O-N 3.49Å; S23-Q27 WeakPolarHBondContact O-CG 3.26Å; S23-Q27 PolarHBondContact O-N 2.87Å; S23-Q27 VanDerWaalsContact O-N 3.09Å
24I94.9Very high90Very high54 Ų5458.6 Ų58.628%0.27735%0.346SS..Hα-helixtrans-63.7-43.2178.1-71.8170.9000110.5M1 L11 L15 E20 A21 R26 Q27 W28M1-I24 HydrophobicContact CE-CG2 3.48Å; M1-I24 VanDerWaalsContact CE-CG2 3.48Å; L11-I24 HydrophobicContact CD1-CB 4.5Å; L11-I24 HydrophobicContact CD1-CG2 4.12Å; L11-I24 HydrophobicContact CD2-CG2 4.1Å; L15-I24 HydrophobicContact CD1-CD1 3.79Å; E20-I24 HydrophobicContact CG-CD1 3.9Å; E20-I24 HydrophobicContact CG-CG1 4.47Å; E20-I24 WeakPolarHBondContact O-CG1 3.43Å; E20-I24 PolarHBondContact O-N 3.48Å; A21-I24 PolarHBondContact O-N 3.38Å; I24-R26 VanDerWaalsContact C-N 3.32Å; I24-R26 PolarHBondContact O-N 3.2Å; I24-Q27 PolarHBondContact O-N 3.42Å; I24-W28 PolarHBondContact O-N 2.88Å
25R93.8Very high88.5Confident2 Ų262.9 Ų62.91%0.00836%0.361CS..Hα-helixtrans-59.5-42.8175.1-171.3-179.3-62.6118.32.5111.7S8 L11 E12 A21 V22 W28 F29 N59 V60 L61S8-R25 PolarHBondContact O-NE 3.44Å; S8-R25 VanDerWaalsContact O-NE 3.17Å; S8-R25 PolarHBondContact O-NH2 2.74Å; L11-R25 HydrophobicContact CD1-CB 3.81Å; E12-R25 IonicContact OE1-CZ 3.53Å; E12-R25 IonicContact OE1-NH1 3.54Å; E12-R25 PolarHBondContact OE1-NH1 3.04Å; E12-R25 IonicContact OE1-NH2 3.21Å; E12-R25 PolarHBondContact OE1-NH2 2.92Å; E12-R25 IonicContact OE2-CZ 3.7Å; E12-R25 IonicContact OE2-NH2 3.15Å; E12-R25 PolarHBondContact OE2-NH2 3.33Å; A21-R25 WeakPolarHBondContact O-CB 3.23Å; A21-R25 PolarHBondContact O-N 3.18Å; V22-R25 PolarHBondContact O-N 3.46Å; R25-W28 HydrophobicContact CG-CE3 4.44Å; R25-W28 PolarHBondContact O-N 3.38Å; R25-F29 WeakPolarHBondContact O-CB 3.32Å; R25-F29 PolarHBondContact O-N 3.4Å; R25-N59 WeakPolarHBondContact CD-O 3.49Å; R25-V60 WeakPolarHBondContact CD-O 3.44Å; R25-V60 PolarHBondContact NH1-O 3.35Å; R25-L61 HydrophobicContact CG-CD2 3.91Å
26R92.9Very high86.8Confident21 Ų2167.5 Ų67.58%0.07938%0.381CS..Hα-helixtrans-61-43.6177.8-72164.663.7771111.9V22 S23 I24 F29 A30 I39 I42 F44 L61V22-R26 HydrophobicContact CG1-CG 4.33Å; V22-R26 WeakPolarHBondContact O-CB 3.35Å; V22-R26 WeakPolarHBondContact O-CD 3.28Å; V22-R26 WeakPolarHBondContact O-CG 3.32Å; V22-R26 PolarHBondContact O-N 3.31Å; S23-R26 WeakPolarHBondContact O-CB 3.37Å; S23-R26 PolarHBondContact O-N 3.49Å; I24-R26 VanDerWaalsContact C-N 3.32Å; I24-R26 PolarHBondContact O-N 3.2Å; R26-F29 PolarHBondContact O-N 3.45Å; R26-A30 WeakPolarHBondContact O-CB 3.21Å; R26-A30 PolarHBondContact O-N 3.05Å; R26-I39 HydrophobicContact CB-CD1 3.95Å; R26-I39 HydrophobicContact CG-CD1 4.1Å; R26-I39 PolarHBondContact NH1-O 3.39Å; R26-I39 PolarHBondContact NH2-O 2.79Å; R26-I42 PolarHBondContact NH1-O 3.27Å; R26-I42 PolarHBondContact NH2-O 2.96Å; R26-I42 VanDerWaalsContact NH2-O 3.12Å; R26-F44 VanDerWaalsContact CZ-CD1 3.49Å; R26-F44 VanDerWaalsContact NE-CD1 3.32Å; R26-L61 WeakPolarHBondContact CD-O 3.4Å; R26-L61 HydrophobicContact CG-CB 4.42Å; R26-L61 HydrophobicContact CG-CD2 4.2Å; R26-L61 VanDerWaalsContact CG-O 3.22Å; R26-L61 WeakPolarHBondContact CG-O 3.44Å; R26-L61 PolarHBondContact NH1-O 2.97Å
27Q90.6Very high85.7Confident137 Ų13770.9 Ų70.964%0.6438%0.378SS*.Hα-helixtrans-63-45.9176.8-67.9176.835.800111.6S23 I24 A30 G31S23-Q27 WeakPolarHBondContact O-CG 3.26Å; S23-Q27 PolarHBondContact O-N 2.87Å; S23-Q27 VanDerWaalsContact O-N 3.09Å; I24-Q27 PolarHBondContact O-N 3.42Å; Q27-A30 PolarHBondContact O-N 3.29Å; Q27-G31 PolarHBondContact O-N 3.34Å
28W90.9Very high85Confident63 Ų6372.2 Ų72.224%0.23939%0.385CS..Hα-helixtrans-61.3-48.1175.2170.572000112M1 N2 I24 R25 A30 G31 V32M1-W28 VanDerWaalsContact CB-CD1 3.41Å; M1-W28 HydrophobicContact CB-CD2 4.14Å; M1-W28 HydrophobicContact CB-CG 3.83Å; M1-W28 HydrophobicContact CE-CB 3.55Å; M1-W28 HydrophobicContact CE-CG 3.85Å; M1-W28 HydrophobicContact CG-CG 4.48Å; M1-W28 HydrophobicContact SD-CB 4.08Å; M1-W28 HydrophobicContact SD-CD2 3.93Å; M1-W28 HydrophobicContact SD-CE3 4.28Å; M1-W28 HydrophobicContact SD-CG 3.82Å; N2-W28 PolarHBondContact OD1-NE1 2.88Å; I24-W28 PolarHBondContact O-N 2.88Å; R25-W28 HydrophobicContact CG-CE3 4.44Å; R25-W28 PolarHBondContact O-N 3.38Å; W28-A30 VanDerWaalsContact C-N 3.3Å; W28-A30 PolarHBondContact O-N 3.03Å; W28-G31 PolarHBondContact O-N 3.45Å; W28-G31 VanDerWaalsContact O-N 3.09Å; W28-V32 HydrophobicContact CD2-CG2 4.33Å; W28-V32 HydrophobicContact CZ2-CG2 3.87Å; W28-V32 PolarHBondContact O-N 2.84Å
29F91.1Very high84.6Confident79 Ų7972.2 Ų72.235%0.34638%0.384SS..Hα-helixtrans-61.7-38.3-179.9-175.7-90.4000111.7R25 R26 G31 V32 S33 I39 L61R25-F29 WeakPolarHBondContact O-CB 3.32Å; R25-F29 PolarHBondContact O-N 3.4Å; R26-F29 PolarHBondContact O-N 3.45Å; F29-G31 PolarHBondContact O-N 3.4Å; F29-V32 PolarHBondContact O-N 3.48Å; F29-S33 WeakPolarHBondContact O-CB 3.49Å; F29-S33 PolarHBondContact O-N 3.02Å; F29-I39 HydrophobicContact CB-CD1 4.38Å; F29-I39 HydrophobicContact CD1-CD1 3.66Å; F29-I39 HydrophobicContact CE1-CD1 4.45Å; F29-I39 HydrophobicContact CG-CD1 4.43Å; F29-L61 HydrophobicContact CB-CD2 3.77Å; F29-L61 HydrophobicContact CD1-CD1 3.86Å; F29-L61 HydrophobicContact CD1-CD2 4.31Å; F29-L61 HydrophobicContact CD2-CD1 4.08Å; F29-L61 HydrophobicContact CD2-CD2 4.3Å; F29-L61 HydrophobicContact CE1-CD1 3.84Å; F29-L61 HydrophobicContact CE2-CD1 4.08Å; F29-L61 HydrophobicContact CG-CD1 3.96Å; F29-L61 HydrophobicContact CG-CD2 3.87Å; F29-L61 HydrophobicContact CZ-CD1 3.96Å
30A88.4Confident84.2Confident47 Ų4772.6 Ų72.639%0.38840%0.4SS..Hα-helixtrans-58.6-35.2175.400000112.8R26 Q27 W28 I39R26-A30 WeakPolarHBondContact O-CB 3.21Å; R26-A30 PolarHBondContact O-N 3.05Å; Q27-A30 PolarHBondContact O-N 3.29Å; W28-A30 VanDerWaalsContact C-N 3.3Å; W28-A30 PolarHBondContact O-N 3.03Å; A30-I39 HydrophobicContact CB-CG2 4.03Å
31G86.4Confident84Confident64 Ų6474.1 Ų74.166%0.6641%0.412SS*.Hα-helixtrans-73.9-39176.100000113.6Q27 W28 F29Q27-G31 PolarHBondContact O-N 3.34Å; W28-G31 PolarHBondContact O-N 3.45Å; W28-G31 VanDerWaalsContact O-N 3.09Å; F29-G31 PolarHBondContact O-N 3.4Å
32V86.4Confident83.8Confident85 Ų8577.1 Ų77.152%0.51543%0.427SS..Hα-helixtrans-79.5-34.6-178.6-179.30000112.3W28 F29 S34W28-V32 HydrophobicContact CD2-CG2 4.33Å; W28-V32 HydrophobicContact CZ2-CG2 3.87Å; W28-V32 PolarHBondContact O-N 2.84Å; F29-V32 PolarHBondContact O-N 3.48Å; V32-S34 PolarHBondContact O-N 2.87Å
33S82.4Confident83.8Confident34 Ų3479.2 Ų79.224%0.23844%0.441CS..SBendtrans-7169.9173167.50000109.8F29 K35F29-S33 WeakPolarHBondContact O-CB 3.49Å; F29-S33 PolarHBondContact O-N 3.02Å; S33-K35 PolarHBondContact O-N 3.38Å
34S55.7Low83.9Confident90 Ų9080.1 Ų80.163%0.62944%0.44SS*.THydrogen-bonded Turntrans-47.8113.1179.256.40000111.1V32V32-S34 PolarHBondContact O-N 2.87Å
35K59.6Low83.9Confident197 Ų19780.6 Ų80.686%0.85745%0.448SS*.THydrogen-bonded Turntrans92.47.9167.9-50.9172.2178.5177.80120.2S33S33-K35 PolarHBondContact O-N 3.38Å
36H56.6Low83.9Confident140 Ų14086.4 Ų86.465%0.64849%0.486SS*.  trans-123101.1179.8-62.3-57.6000113.6N38H36-N38 PolarHBondContact O-N 3.26Å
37Q64.5Low84Confident183 Ų18388.9 Ų88.986%0.85550%0.496SS*.G310 helixtrans-70.5-1.7-176.4-71.3-177.1-36.100115.4I39Q37-I39 PolarHBondContact O-N 3.25Å
38N78Confident84.1Confident110 Ų11086.2 Ų86.259%0.58849%0.486SS*.G310 helixtrans-91.98-165.2-61.9-2.8000114.3H36 G40 D41H36-N38 PolarHBondContact O-N 3.26Å; N38-G40 PolarHBondContact O-N 3.35Å; N38-D41 PolarHBondContact O-N 3.34Å
39I87Confident84.3Confident28 Ų2883.5 Ų83.514%0.14448%0.476CS..G310 helixtrans-58.3-28171.5-170.4156.6000111.5R26 F29 A30 Q37 D41 I42 L61R26-I39 HydrophobicContact CB-CD1 3.95Å; R26-I39 HydrophobicContact CG-CD1 4.1Å; R26-I39 PolarHBondContact NH1-O 3.39Å; R26-I39 PolarHBondContact NH2-O 2.79Å; F29-I39 HydrophobicContact CB-CD1 4.38Å; F29-I39 HydrophobicContact CD1-CD1 3.66Å; F29-I39 HydrophobicContact CE1-CD1 4.45Å; F29-I39 HydrophobicContact CG-CD1 4.43Å; A30-I39 HydrophobicContact CB-CG2 4.03Å; Q37-I39 PolarHBondContact O-N 3.25Å; I39-D41 PolarHBondContact O-N 2.88Å; I39-I42 PolarHBondContact O-N 2.82Å; I39-I42 VanDerWaalsContact O-N 3.15Å; I39-L61 HydrophobicContact CD1-CD2 4.35Å
40G86.9Confident84.3Confident58 Ų5883.4 Ų83.460%0.59849%0.485SS*.G310 helixtrans-59.6-30.417500000114.1N38 I42N38-G40 PolarHBondContact O-N 3.35Å; G40-I42 VanDerWaalsContact C-N 3.32Å
41D89.8Confident84.3Confident128 Ų12882.9 Ų82.968%0.68448%0.478SS*.G310 helixtrans-81.3-13.4179.5-65.5-25.8000112.8N38 I39 P43N38-D41 PolarHBondContact O-N 3.34Å; I39-D41 PolarHBondContact O-N 2.88Å; D41-P43 VanDerWaalsContact O-CD 3.3Å; D41-P43 WeakPolarHBondContact O-CD 3.29Å
42I93.3Very high84.7Confident63 Ų6380.3 Ų80.332%0.32345%0.45SS..SBendtrans-81.6111.7175.1-57174.2000107.6R26 I39 G40R26-I42 PolarHBondContact NH1-O 3.27Å; R26-I42 PolarHBondContact NH2-O 2.96Å; R26-I42 VanDerWaalsContact NH2-O 3.12Å; I39-I42 PolarHBondContact O-N 2.82Å; I39-I42 VanDerWaalsContact O-N 3.15Å; G40-I42 VanDerWaalsContact C-N 3.32Å
43P96.1Very high84.8Confident44 Ų4477.3 Ų77.329%0.28643%0.432SS..  trans-65.9146.9179.529.8-34.9000110.4D41 G62 F63 P65D41-P43 VanDerWaalsContact O-CD 3.3Å; D41-P43 WeakPolarHBondContact O-CD 3.29Å; P43-G62 WeakPolarHBondContact O-CA 3.28Å; P43-F63 HydrophobicContact CB-CE1 4.14Å; P43-F63 HydrophobicContact CB-CE2 4.01Å; P43-F63 HydrophobicContact CB-CZ 3.71Å; P43-F63 WeakPolarHBondContact CD-O 3.28Å; P43-F63 HydrophobicContact CG-CD2 4Å; P43-F63 HydrophobicContact CG-CE1 4.44Å; P43-F63 HydrophobicContact CG-CE2 3.65Å; P43-F63 HydrophobicContact CG-CZ 3.9Å; P43-F63 WeakPolarHBondContact CG-O 3.24Å; P43-F63 PolarHBondContact O-N 3.26Å; P43-P65 HydrophobicContact CG-CG 4.19Å
44F96Very high85Confident56 Ų5683.5 Ų83.525%0.24646%0.462CS..  trans-142.7-8.1176.778-76.9000113.2L19 V22 R26 Y49L19-F44 HydrophobicContact CD1-CD2 3.81Å; L19-F44 HydrophobicContact CD1-CE2 4.07Å; L19-F44 WeakPolarHBondContact CD1-O 3.23Å; V22-F44 HydrophobicContact CG1-CB 4.11Å; V22-F44 HydrophobicContact CG1-CD2 4.19Å; R26-F44 VanDerWaalsContact CZ-CD1 3.49Å; R26-F44 VanDerWaalsContact NE-CD1 3.32Å; F44-Y49 VanDerWaalsContact C-OH 3.26Å; F44-Y49 WeakPolarHBondContact CA-OH 3.47Å; F44-Y49 WeakPolarHBondContact CB-OH 3.26Å; F44-Y49 VanDerWaalsContact O-CE2 3.25Å; F44-Y49 WeakPolarHBondContact O-CE2 3.25Å; F44-Y49 PolarHBondContact O-OH 2.89Å
45S94.9Very high86.6Confident63 Ų6383.4 Ų83.444%0.44146%0.462SS..SBendtrans-147146.1-177.6-177.10000110.7
46P93.9Very high88.1Confident124 Ų12476.4 Ų76.481%0.80544%0.437SS*.SBendcis-76.7128.6-10.931.4-32.5000110.9
47Y94.9Very high90Very high73 Ų7372.7 Ų72.729%0.28643%0.426SS..  trans-147.1138.9172.6-174.6-88.4000109.7Y49 V52 F63Y47-Y49 AromaticContact CD1-CD1 3.55Å; Y47-Y49 HydrophobicContact CD1-CD1 3.55Å; Y47-Y49 HydrophobicContact CD1-CD2 4.11Å; Y47-Y49 AromaticContact CD1-CE1 3.48Å; Y47-Y49 HydrophobicContact CD1-CE1 3.48Å; Y47-Y49 VanDerWaalsContact CD1-CE1 3.48Å; Y47-Y49 HydrophobicContact CD1-CE2 4.04Å; Y47-Y49 AromaticContact CD1-CG 3.87Å; Y47-Y49 HydrophobicContact CD1-CG 3.87Å; Y47-Y49 AromaticContact CD1-CZ 3.72Å; Y47-Y49 AromaticContact CE1-CD1 3.87Å; Y47-Y49 HydrophobicContact CE1-CD1 3.87Å; Y47-Y49 HydrophobicContact CE1-CE1 4.02Å; Y47-Y49 HydrophobicContact CE1-CG 4.41Å; Y47-Y49 HydrophobicContact CG-CE1 4.31Å; Y47-Y49 WeakPolarHBondContact O-CD2 3.11Å; Y47-Y49 PolarHBondContact O-N 2.92Å; Y47-V52 HydrophobicContact CE1-CG2 3.71Å; Y47-F63 AromaticContact CD2-CD1 3.89Å; Y47-F63 HydrophobicContact CD2-CD1 3.89Å; Y47-F63 HydrophobicContact CD2-CE1 4.05Å; Y47-F63 HydrophobicContact CD2-CG 4.38Å; Y47-F63 AromaticContact CG-CD1 3.93Å; Y47-F63 HydrophobicContact CG-CD1 3.93Å; Y47-F63 HydrophobicContact CG-CE1 4.09Å
48D92.4Very high91.4Very high81 Ų8171 Ų7143%0.43342%0.418SS..  trans-87.499.7177.2178.39.7000110.6S50 S51D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 VanDerWaalsContact OD1-CB 3.29Å; D48-S50 WeakPolarHBondContact OD1-CB 3.41Å; D48-S50 PolarHBondContact OD1-N 3.42Å; D48-S50 PolarHBondContact OD1-OG 3.44Å; D48-S50 PolarHBondContact OD2-OG 2.88Å; D48-S51 PolarHBondContact O-OG 2.86Å
49Y95.2Very high92.1Very high7 Ų769.1 Ų69.13%0.02741%0.408CS..G310 helixtrans-79.1-10.7-179.4-68-74.2000114.2L19 V22 F44 Y47 S51 V52 T53 V60 G62L19-Y49 HydrophobicContact CB-CD2 4.41Å; L19-Y49 HydrophobicContact CD1-CD2 4.18Å; L19-Y49 HydrophobicContact CD1-CE2 3.68Å; V22-Y49 HydrophobicContact CB-CE2 4.33Å; V22-Y49 HydrophobicContact CG1-CE2 4.36Å; V22-Y49 HydrophobicContact CG2-CD1 4.07Å; V22-Y49 HydrophobicContact CG2-CD2 4.05Å; V22-Y49 HydrophobicContact CG2-CE1 4.09Å; V22-Y49 HydrophobicContact CG2-CE2 4.07Å; V22-Y49 HydrophobicContact CG2-CG 4.05Å; F44-Y49 VanDerWaalsContact C-OH 3.26Å; F44-Y49 WeakPolarHBondContact CA-OH 3.47Å; F44-Y49 WeakPolarHBondContact CB-OH 3.26Å; F44-Y49 VanDerWaalsContact O-CE2 3.25Å; F44-Y49 WeakPolarHBondContact O-CE2 3.25Å; F44-Y49 PolarHBondContact O-OH 2.89Å; Y47-Y49 AromaticContact CD1-CD1 3.55Å; Y47-Y49 HydrophobicContact CD1-CD1 3.55Å; Y47-Y49 HydrophobicContact CD1-CD2 4.11Å; Y47-Y49 AromaticContact CD1-CE1 3.48Å; Y47-Y49 HydrophobicContact CD1-CE1 3.48Å; Y47-Y49 VanDerWaalsContact CD1-CE1 3.48Å; Y47-Y49 HydrophobicContact CD1-CE2 4.04Å; Y47-Y49 AromaticContact CD1-CG 3.87Å; Y47-Y49 HydrophobicContact CD1-CG 3.87Å; Y47-Y49 AromaticContact CD1-CZ 3.72Å; Y47-Y49 AromaticContact CE1-CD1 3.87Å; Y47-Y49 HydrophobicContact CE1-CD1 3.87Å; Y47-Y49 HydrophobicContact CE1-CE1 4.02Å; Y47-Y49 HydrophobicContact CE1-CG 4.41Å; Y47-Y49 HydrophobicContact CG-CE1 4.31Å; Y47-Y49 WeakPolarHBondContact O-CD2 3.11Å; Y47-Y49 PolarHBondContact O-N 2.92Å; Y49-S51 PolarHBondContact O-N 3.47Å; Y49-S51 VanDerWaalsContact O-N 3.1Å; Y49-V52 WeakPolarHBondContact O-CA 3.31Å; Y49-V52 WeakPolarHBondContact O-CB 3.34Å; Y49-V52 PolarHBondContact O-N 3.33Å; Y49-T53 PolarHBondContact O-N 3.21Å; Y49-T53 PolarHBondContact O-OG1 2.81Å; Y49-V60 HydrophobicContact CD1-CG1 3.77Å; Y49-V60 HydrophobicContact CE1-CG1 3.48Å; Y49-V60 VanDerWaalsContact CE1-CG1 3.48Å; Y49-G62 WeakPolarHBondContact OH-CA 3.29Å
50S91.6Very high92.5Very high77 Ų7768.2 Ų68.254%0.53840%0.404SS..G310 helixtrans-60.1-27.8-177.868.10000113D48D48-S50 VanDerWaalsContact C-N 3.32Å; D48-S50 VanDerWaalsContact OD1-CB 3.29Å; D48-S50 WeakPolarHBondContact OD1-CB 3.41Å; D48-S50 PolarHBondContact OD1-N 3.42Å; D48-S50 PolarHBondContact OD1-OG 3.44Å; D48-S50 PolarHBondContact OD2-OG 2.88Å
51S89.7Confident92.9Very high35 Ų3567.4 Ų67.425%0.24539%0.386CS..G310 helixtrans-83.9-9.5175.964.90000114.5D48 Y49 L337D48-S51 PolarHBondContact O-OG 2.86Å; Y49-S51 PolarHBondContact O-N 3.47Å; Y49-S51 VanDerWaalsContact O-N 3.1Å; S51-L337 WeakPolarHBondContact OG-CD2 3.31Å
52V93.6Very high93.2Very high11 Ų1162.1 Ų62.17%0.06736%0.362CS..THydrogen-bonded Turntrans-99.6-43.8-179.7177.60000111Y47 Y49 D54 S55 C56 C57 V60 L337Y47-V52 HydrophobicContact CE1-CG2 3.71Å; Y49-V52 WeakPolarHBondContact O-CA 3.31Å; Y49-V52 WeakPolarHBondContact O-CB 3.34Å; Y49-V52 PolarHBondContact O-N 3.33Å; V52-D54 PolarHBondContact O-N 3.01Å; V52-S55 PolarHBondContact O-N 2.85Å; V52-S55 VanDerWaalsContact O-N 3.15Å; V52-C56 HydrophobicContact CG1-CB 4.23Å; V52-C56 PolarHBondContact O-N 2.66Å; V52-C57 HydrophobicContact CG1-CB 3.71Å; V52-C57 PolarHBondContact O-N 2.85Å; V52-V60 HydrophobicContact CG1-CG2 3.9Å; V52-L337 HydrophobicContact CG2-CD2 3.76Å
53T88.7Confident93.3Very high22 Ų2262.2 Ų62.214%0.13536%0.36CS..THydrogen-bonded Turntrans-54.3133.1-179.7-540000110.8E12 D18 Y49 S55E12-T53 HydrophobicContact CB-CG2 3.74Å; E12-T53 HydrophobicContact CG-CG2 3.84Å; D18-T53 WeakPolarHBondContact OD2-CB 3.44Å; D18-T53 PolarHBondContact OD2-OG1 3.35Å; Y49-T53 PolarHBondContact O-N 3.21Å; Y49-T53 PolarHBondContact O-OG1 2.81Å; T53-S55 PolarHBondContact O-N 3.1Å; T53-S55 PolarHBondContact O-OG 2.91Å
54D85.8Confident93.3Very high163 Ų16365.8 Ų65.887%0.87238%0.381SS*.THydrogen-bonded Turntrans56.38.4-178-60.2-33.6000116.7V52V52-D54 PolarHBondContact O-N 3.01Å
55S89.2Confident93.3Very high88 Ų8867.3 Ų67.362%0.61540%0.396SS*.THydrogen-bonded Turntrans-129-42.8-171.8-61.50000113.7V52 T53V52-S55 PolarHBondContact O-N 2.85Å; V52-S55 VanDerWaalsContact O-N 3.15Å; T53-S55 PolarHBondContact O-N 3.1Å; T53-S55 PolarHBondContact O-OG 2.91Å
56C93.1Very high93.5Very high50 Ų5068.2 Ų68.234%0.33840%0.395SS..THydrogen-bonded Turntrans-126.9-31.9-168.9-64.30000114.8V52V52-C56 HydrophobicContact CG1-CB 4.23Å; V52-C56 PolarHBondContact O-N 2.66Å
57C95.5Very high93.7Very high62 Ų6266.3 Ų66.342%0.41938%0.383SS..  trans-160.4140.6-175.2-165.30000111.8V52 V60V52-C57 HydrophobicContact CG1-CB 3.71Å; V52-C57 PolarHBondContact O-N 2.85Å; C57-V60 HydrophobicContact CB-CG2 4.05Å; C57-V60 WeakPolarHBondContact O-CG2 3.4Å
58E93.3Very high93.9Very high147 Ų14767.5 Ų67.569%0.68739%0.394SS*.SBendtrans-105.4160.4175.1-49.876.9-166.500111.6V60E58-V60 PolarHBondContact O-N 3.13Å
59N93.5Very high94.2Very high71 Ų7164.9 Ų64.938%0.3839%0.386SS..SBendtrans52.839.9-179.7-69.9-59.9000113.8S8 Y9 R25 L61S8-N59 PolarHBondContact OG-OD1 3.08Å; Y9-N59 WeakPolarHBondContact CA-OD1 3.29Å; Y9-N59 WeakPolarHBondContact CB-OD1 3.29Å; Y9-N59 PolarHBondContact N-OD1 3.17Å; R25-N59 WeakPolarHBondContact CD-O 3.49Å; N59-L61 PolarHBondContact O-N 3.31Å
60V95.9Very high94.3Very high10 Ų1070.3 Ų70.36%0.06141%0.41CS..  trans-59.8125.5-173.5-177.70000112V22 R25 Y49 V52 C57 E58V22-V60 HydrophobicContact CG2-CB 4.05Å; V22-V60 HydrophobicContact CG2-CG1 3.94Å; R25-V60 WeakPolarHBondContact CD-O 3.44Å; R25-V60 PolarHBondContact NH1-O 3.35Å; Y49-V60 HydrophobicContact CD1-CG1 3.77Å; Y49-V60 HydrophobicContact CE1-CG1 3.48Å; Y49-V60 VanDerWaalsContact CE1-CG1 3.48Å; V52-V60 HydrophobicContact CG1-CG2 3.9Å; C57-V60 HydrophobicContact CB-CG2 4.05Å; C57-V60 WeakPolarHBondContact O-CG2 3.4Å; E58-V60 PolarHBondContact O-N 3.13Å
61L94Very high94.7Very high40 Ų4066.6 Ų66.621%0.20938%0.384CS..  trans-102.7-5.8175.3-67.3176.2000113.2R25 R26 F29 I39 N59R25-L61 HydrophobicContact CG-CD2 3.91Å; R26-L61 WeakPolarHBondContact CD-O 3.4Å; R26-L61 HydrophobicContact CG-CB 4.42Å; R26-L61 HydrophobicContact CG-CD2 4.2Å; R26-L61 VanDerWaalsContact CG-O 3.22Å; R26-L61 WeakPolarHBondContact CG-O 3.44Å; R26-L61 PolarHBondContact NH1-O 2.97Å; F29-L61 HydrophobicContact CB-CD2 3.77Å; F29-L61 HydrophobicContact CD1-CD1 3.86Å; F29-L61 HydrophobicContact CD1-CD2 4.31Å; F29-L61 HydrophobicContact CD2-CD1 4.08Å; F29-L61 HydrophobicContact CD2-CD2 4.3Å; F29-L61 HydrophobicContact CE1-CD1 3.84Å; F29-L61 HydrophobicContact CE2-CD1 4.08Å; F29-L61 HydrophobicContact CG-CD1 3.96Å; F29-L61 HydrophobicContact CG-CD2 3.87Å; F29-L61 HydrophobicContact CZ-CD1 3.96Å; I39-L61 HydrophobicContact CD1-CD2 4.35Å; N59-L61 PolarHBondContact O-N 3.31Å
62G95.9Very high95Very high18 Ų1865 Ų6519%0.18637%0.372CS..  trans140.4-155.1-167.900000110.3P43 Y49P43-G62 WeakPolarHBondContact O-CA 3.28Å; Y49-G62 WeakPolarHBondContact OH-CA 3.29Å
63F96.6Very high95.2Very high64 Ų6466.8 Ų66.828%0.28139%0.385SS..  trans-137.6157.9176.260.3-88.3000111.1P43 Y47P43-F63 HydrophobicContact CB-CE1 4.14Å; P43-F63 HydrophobicContact CB-CE2 4.01Å; P43-F63 HydrophobicContact CB-CZ 3.71Å; P43-F63 WeakPolarHBondContact CD-O 3.28Å; P43-F63 HydrophobicContact CG-CD2 4Å; P43-F63 HydrophobicContact CG-CE1 4.44Å; P43-F63 HydrophobicContact CG-CE2 3.65Å; P43-F63 HydrophobicContact CG-CZ 3.9Å; P43-F63 WeakPolarHBondContact CG-O 3.24Å; P43-F63 PolarHBondContact O-N 3.26Å; Y47-F63 AromaticContact CD2-CD1 3.89Å; Y47-F63 HydrophobicContact CD2-CD1 3.89Å; Y47-F63 HydrophobicContact CD2-CE1 4.05Å; Y47-F63 HydrophobicContact CD2-CG 4.38Å; Y47-F63 AromaticContact CG-CD1 3.93Å; Y47-F63 HydrophobicContact CG-CD1 3.93Å; Y47-F63 HydrophobicContact CG-CE1 4.09Å
64V96.3Very high95.7Very high119 Ų11965.8 Ų65.872%0.72138%0.378SS*.  trans-105.7114.4174.91790000108.6I66V64-I66 PolarHBondContact O-N 3.47Å
65P96.3Very high96.3Very high88 Ų8862.7 Ų62.757%0.57136%0.357SS*.  trans-71.2125.3177.227.9-32.3000110.3P43P43-P65 HydrophobicContact CG-CG 4.19Å
66I98.1Very high96.7Very high82 Ų8258.5 Ų58.542%0.42133%0.328SS..  trans-107.5131.3170.6-57.5178.7000107.6V64 L68 C86 T88V64-I66 PolarHBondContact O-N 3.47Å; I66-L68 PolarHBondContact O-N 3.1Å; I66-C86 HydrophobicContact CG2-CB 3.93Å; I66-T88 HydrophobicContact CG2-CG2 4.45Å
67P98.5Very high96.9Very high84 Ų8458.2 Ų58.255%0.54532%0.323SS..  trans-57.4125.5178.1-24.434000111.9C86 T87P67-C86 WeakPolarHBondContact O-CA 3.31Å; P67-T87 PolarHBondContact O-N 3.32Å
68L98.7Very high96.9Very high99 Ų9961 Ų6152%0.51833%0.333SS..EExtended strand (participates in β ladder)trans-98.2120.6173.7177.963.9000109.6I66 P84 A291I66-L68 PolarHBondContact O-N 3.1Å; L68-P84 HydrophobicContact CD1-CB 3.96Å; L68-A291 HydrophobicContact CD1-CB 3.92Å
69G98.6Very high97.1Very high26 Ų2659.4 Ų59.427%0.26833%0.326SS..EExtended strand (participates in β ladder)trans-116.2-177.1168.500000111.5M85G69-M85 PolarHBondContact N-O 3.4Å; G69-M85 PolarHBondContact O-N 3.17Å
70F98.6Very high97.3Very high120 Ų12060.3 Ų60.353%0.52633%0.334SS..EExtended strand (participates in β ladder)trans-135151.1171.476.5-87.4000111.5Y82 I83 V93F70-Y82 AromaticContact CD2-CD1 3.87Å; F70-Y82 HydrophobicContact CD2-CD1 3.87Å; F70-Y82 AromaticContact CE2-CD1 3.9Å; F70-Y82 HydrophobicContact CE2-CD1 3.9Å; F70-Y82 HydrophobicContact CE2-CE1 4.35Å; F70-I83 CarbonylContact C-O 3.55Å; F70-I83 VanDerWaalsContact CA-O 3.23Å; F70-I83 WeakPolarHBondContact CA-O 3.41Å; F70-V93 WeakPolarHBondContact O-CG1 3.45Å
71A98.5Very high97.4Very high0 Ų060.2 Ų60.20%033%0.334CS..EExtended strand (participates in β ladder)trans-119.7129.5170.600000110.5I83 M85 V96 N97A71-I83 PolarHBondContact N-O 2.91Å; A71-I83 PolarHBondContact O-N 2.65Å; A71-M85 HydrophobicContact CB-SD 4Å; A71-V96 HydrophobicContact CB-CB 4.07Å; A71-V96 HydrophobicContact CB-CG1 3.75Å; A71-N97 HydrophobicContact CB-CB 4.03Å
72G97.2Very high97.6Very high0 Ų063.7 Ų63.70%035%0.345CS..EExtended strand (participates in β ladder)trans162.7-175.617700000115.5N97 R101G72-N97 PolarHBondContact N-OD1 2.95Å; G72-N97 PolarHBondContact O-OD1 3.07Å; G72-R101 PolarHBondContact O-NE 3.45Å
73P97.7Very high97.8Very high50 Ų5062.8 Ų62.833%0.32534%0.336SS..EExtended strand (participates in β ladder)cis-68.3143.8-227.9-34.3000112.2V80 Y82 C100P73-V80 HydrophobicContact CB-CG1 3.45Å; P73-V80 VanDerWaalsContact CB-CG1 3.45Å; P73-Y82 HydrophobicContact CB-CE1 4.13Å; P73-Y82 HydrophobicContact CB-CE2 4.5Å; P73-C100 CarbonylContact O-C 3.52Å; P73-C100 WeakPolarHBondContact O-CB 3.35Å
74L98.1Very high97.9Very high1 Ų160 Ų601%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-114.6128.2165.3-17968.5000108.3V76 V80 V81 I83 C100 V106 A374L74-V76 HydrophobicContact CB-CG2 4.45Å; L74-V76 HydrophobicContact CD2-CG2 3.39Å; L74-V76 HydrophobicContact CG-CG2 3.58Å; L74-V80 WeakPolarHBondContact O-CA 3.41Å; L74-V81 HydrophobicContact CB-CG2 4.12Å; L74-V81 PolarHBondContact N-O 3.35Å; L74-V81 WeakPolarHBondContact O-CG2 3.14Å; L74-V81 PolarHBondContact O-N 2.81Å; L74-I83 HydrophobicContact CB-CD1 4.15Å; L74-I83 HydrophobicContact CD2-CD1 3.7Å; L74-C100 HydrophobicContact CB-CB 3.9Å; L74-C100 HydrophobicContact CD1-CB 4.1Å; L74-V106 HydrophobicContact CD1-CG2 4.11Å; L74-A374 HydrophobicContact CD1-CB 4.39Å
75K98.1Very high98Very high97 Ų9754.3 Ų54.342%0.42229%0.29SS..EExtended strand (participates in β ladder)trans-88113.3172-171.8178.4174.7-169.70108.6D78 E79 G105 V106K75-D78 VanDerWaalsContact CE-CA 3.46Å; K75-D78 WeakPolarHBondContact CE-OD1 3.04Å; K75-D78 IonicContact NZ-OD1 2.57Å; K75-D78 PolarHBondContact NZ-OD1 2.95Å; K75-E79 CarbonylContact C-O 3.59Å; K75-E79 WeakPolarHBondContact CA-O 3.42Å; K75-G105 CarbonylContact O-C 3.14Å; K75-G105 VanDerWaalsContact O-CA 3.28Å; K75-G105 WeakPolarHBondContact O-CA 3.41Å; K75-V106 PolarHBondContact O-N 3.12Å
76V98.4Very high98.1Very high0 Ų051.1 Ų51.10%027%0.269CS..EExtended strand (participates in β ladder)trans-122.4115.3178.7-171.90000109L74 D78 E79 V81 V106 T108 R363L74-V76 HydrophobicContact CB-CG2 4.45Å; L74-V76 HydrophobicContact CD2-CG2 3.39Å; L74-V76 HydrophobicContact CG-CG2 3.58Å; V76-D78 PolarHBondContact O-N 3.11Å; V76-E79 PolarHBondContact N-O 3.4Å; V76-E79 PolarHBondContact O-N 3.47Å; V76-V81 HydrophobicContact CG2-CG2 3.98Å; V76-V106 WeakPolarHBondContact CA-O 3.04Å; V76-T108 HydrophobicContact CG1-CG2 3.75Å; V76-R363 PolarHBondContact O-NH1 3.2Å; V76-R363 PolarHBondContact O-NH2 3.35Å
77D97.7Very high98.1Very high44 Ų4448.5 Ų48.524%0.23526%0.257CS..THydrogen-bonded Turntrans5252.2-176.7-49.2-49.8000112.2E79 V106 T108 R363 Q366D77-E79 PolarHBondContact O-N 3.07Å; D77-V106 PolarHBondContact N-O 2.89Å; D77-T108 VanDerWaalsContact CG-OG1 3.3Å; D77-T108 PolarHBondContact OD1-N 3.36Å; D77-T108 PolarHBondContact OD1-OG1 3.37Å; D77-T108 PolarHBondContact OD2-OG1 3.14Å; D77-R363 IonicContact OD2-NH1 3.83Å; D77-R363 PolarHBondContact OD2-NH1 3.08Å; D77-R363 VanDerWaalsContact OD2-NH1 3.15Å; D77-Q366 PolarHBondContact OD2-NE2 2.83Å
78D95.3Very high98.1Very high120 Ų12050.2 Ų50.264%0.64227%0.266SS*.THydrogen-bonded Turntrans66-3.8-177.3-68.3-53.5000118.3K75 V76K75-D78 VanDerWaalsContact CE-CA 3.46Å; K75-D78 WeakPolarHBondContact CE-OD1 3.04Å; K75-D78 IonicContact NZ-OD1 2.57Å; K75-D78 PolarHBondContact NZ-OD1 2.95Å; V76-D78 PolarHBondContact O-N 3.11Å
79E97.2Very high98Very high115 Ų11548.5 Ų48.554%0.53726%0.255SS..EExtended strand (participates in β ladder)trans-101.9139.6174.8-62.9177.5169.600111.8K75 V76 D77 R363K75-E79 CarbonylContact C-O 3.59Å; K75-E79 WeakPolarHBondContact CA-O 3.42Å; V76-E79 PolarHBondContact N-O 3.4Å; V76-E79 PolarHBondContact O-N 3.47Å; D77-E79 PolarHBondContact O-N 3.07Å; E79-R363 IonicContact OE2-CZ 3.62Å; E79-R363 IonicContact OE2-NE 2.73Å; E79-R363 PolarHBondContact OE2-NE 3.18Å; E79-R363 IonicContact OE2-NH2 2.65Å; E79-R363 PolarHBondContact OE2-NH2 3.39Å
80V97.7Very high97.7Very high89 Ų8948.2 Ų48.254%0.53925%0.252SS..EExtended strand (participates in β ladder)trans-88.9126.8177175.90000110.2P73 L74 Y82P73-V80 HydrophobicContact CB-CG1 3.45Å; P73-V80 VanDerWaalsContact CB-CG1 3.45Å; L74-V80 WeakPolarHBondContact O-CA 3.41Å; V80-Y82 HydrophobicContact CG1-CE2 4.24Å
81V98.1Very high97.4Very high9 Ų943.4 Ų43.46%0.05523%0.234CC..EExtended strand (participates in β ladder)trans-123.4151.2177.4-60.80000111.9L74 V76 I83 I367L74-V81 HydrophobicContact CB-CG2 4.12Å; L74-V81 PolarHBondContact N-O 3.35Å; L74-V81 WeakPolarHBondContact O-CG2 3.14Å; L74-V81 PolarHBondContact O-N 2.81Å; V76-V81 HydrophobicContact CG2-CG2 3.98Å; V81-I83 HydrophobicContact CG2-CG1 4.19Å; V81-I367 HydrophobicContact CG1-CD1 4.05Å; V81-I367 HydrophobicContact CG1-CG1 4.32Å; V81-I367 HydrophobicContact CG2-CG2 4.31Å
82Y98.5Very high97.4Very high112 Ų11243.8 Ų43.844%0.43924%0.236SC..EExtended strand (participates in β ladder)trans-116.3114.7170-68.9-91.5000108F70 P73 V80 P84 I346F70-Y82 AromaticContact CD2-CD1 3.87Å; F70-Y82 HydrophobicContact CD2-CD1 3.87Å; F70-Y82 AromaticContact CE2-CD1 3.9Å; F70-Y82 HydrophobicContact CE2-CD1 3.9Å; F70-Y82 HydrophobicContact CE2-CE1 4.35Å; P73-Y82 HydrophobicContact CB-CE1 4.13Å; P73-Y82 HydrophobicContact CB-CE2 4.5Å; V80-Y82 HydrophobicContact CG1-CE2 4.24Å; Y82-P84 VanDerWaalsContact O-CD 3.27Å; Y82-P84 WeakPolarHBondContact O-CD 3.34Å; Y82-I346 WeakPolarHBondContact O-CG2 3.45Å
83I98.8Very high97.4Very high0 Ų045.3 Ų45.30%024%0.244CC..EExtended strand (participates in β ladder)trans-90.6114-166.1-60.8150000110F70 A71 L74 V81 M85 V288 I367 A371F70-I83 CarbonylContact C-O 3.55Å; F70-I83 VanDerWaalsContact CA-O 3.23Å; F70-I83 WeakPolarHBondContact CA-O 3.41Å; A71-I83 PolarHBondContact N-O 2.91Å; A71-I83 PolarHBondContact O-N 2.65Å; L74-I83 HydrophobicContact CB-CD1 4.15Å; L74-I83 HydrophobicContact CD2-CD1 3.7Å; V81-I83 HydrophobicContact CG2-CG1 4.19Å; I83-M85 HydrophobicContact CG2-CG 4.11Å; I83-V288 HydrophobicContact CG2-CG2 3.65Å; I83-I367 HydrophobicContact CG1-CG2 4.09Å; I83-A371 HydrophobicContact CD1-CB 3.61Å; I83-A371 HydrophobicContact CG1-CB 4.45Å; I83-A371 HydrophobicContact CG2-CB 4.29Å
84P98.9Very high97.3Very high5 Ų545.4 Ų45.43%0.03225%0.249CC..EExtended strand (participates in β ladder)trans-68.1136.5173.1-15.932.4000110.5L68 Y82 A291 C343 I346 L347L68-P84 HydrophobicContact CD1-CB 3.96Å; Y82-P84 VanDerWaalsContact O-CD 3.27Å; Y82-P84 WeakPolarHBondContact O-CD 3.34Å; P84-A291 HydrophobicContact CB-CB 3.97Å; P84-C343 HydrophobicContact CB-CB 3.96Å; P84-C343 HydrophobicContact CG-CB 3.93Å; P84-I346 HydrophobicContact CG-CB 4.34Å; P84-I346 HydrophobicContact CG-CG2 4.09Å; P84-L347 HydrophobicContact CG-CG 4.43Å
85M98.9Very high97.2Very high0 Ų046.6 Ų46.60%026%0.258CS..EExtended strand (participates in β ladder)trans-140117.2-177.5-66.7-173.176.300111G69 A71 I83 L92 V93 V96 V284 A287 V288G69-M85 PolarHBondContact N-O 3.4Å; G69-M85 PolarHBondContact O-N 3.17Å; A71-M85 HydrophobicContact CB-SD 4Å; I83-M85 HydrophobicContact CG2-CG 4.11Å; M85-L92 HydrophobicContact CE-CD1 4.41Å; M85-L92 HydrophobicContact CE-CD2 4.25Å; M85-L92 HydrophobicContact CE-CG 4.05Å; M85-V93 HydrophobicContact CB-CG2 3.95Å; M85-V96 HydrophobicContact CE-CB 4.39Å; M85-V96 HydrophobicContact CE-CG2 3.88Å; M85-V96 HydrophobicContact SD-CB 3.98Å; M85-V96 HydrophobicContact SD-CG1 3.99Å; M85-V96 HydrophobicContact SD-CG2 4.14Å; M85-V284 HydrophobicContact CE-CG1 4.32Å; M85-A287 HydrophobicContact CB-CB 4.07Å; M85-A287 HydrophobicContact CE-CB 3.59Å; M85-A287 HydrophobicContact CG-CB 4.44Å; M85-V288 HydrophobicContact CG-CG2 4.24Å
86C98.6Very high97.2Very high20 Ų2042 Ų4214%0.13524%0.238CC..EExtended strand (participates in β ladder)trans-94.3117.5174.6-82.30000110.3I66 P67 A287 A290 A291I66-C86 HydrophobicContact CG2-CB 3.93Å; P67-C86 WeakPolarHBondContact O-CA 3.31Å; C86-A287 PolarHBondContact N-O 3.46Å; C86-A287 VanDerWaalsContact O-CA 3.24Å; C86-A287 WeakPolarHBondContact O-CA 3.37Å; C86-A287 WeakPolarHBondContact O-CB 3.44Å; C86-A290 HydrophobicContact CB-CB 3.62Å; C86-A291 HydrophobicContact CB-CB 4.25Å
87T98.4Very high97.1Very high28 Ų2843.5 Ų43.517%0.17225%0.246CC..  trans-157.3154.9178.9-171.50000112.5P67 E89 L92 V93P67-T87 PolarHBondContact O-N 3.32Å; T87-E89 PolarHBondContact OG1-N 3.33Å; T87-L92 HydrophobicContact CG2-CB 4.26Å; T87-L92 HydrophobicContact CG2-CD2 4.08Å; T87-V93 HydrophobicContact CG2-CG2 3.79Å
88T97.5Very high96.9Very high120 Ų12044.7 Ų44.774%0.73625%0.247SC*.SBendtrans-104.5-1.9167.4550000112.3I66 G90I66-T88 HydrophobicContact CG2-CG2 4.45Å; T88-G90 PolarHBondContact O-N 3.13Å
89E96.7Very high97Very high63 Ų6339 Ų3929%0.29422%0.217SC..SBendtrans-81.4111.7176.8-172.3-180-175.400110.7T87 L92 N283 H392T87-E89 PolarHBondContact OG1-N 3.33Å; E89-L92 HydrophobicContact CB-CB 4.31Å; E89-L92 HydrophobicContact CG-CB 4.46Å; E89-L92 PolarHBondContact O-N 3.37Å; E89-N283 PolarHBondContact OE2-ND2 3.26Å; E89-H392 IonicContact OE1-CE1 3.87Å
90G92.2Very high96.9Very high20 Ų2033.8 Ų33.821%0.20619%0.193CC..THydrogen-bonded Turntrans-60.4147.117100000111.3T88 L92 N396T88-G90 PolarHBondContact O-N 3.13Å; G90-L92 VanDerWaalsContact C-N 3.3Å; G90-L92 PolarHBondContact O-N 2.96Å; G90-N396 WeakPolarHBondContact CA-OD1 3.22Å; G90-N396 PolarHBondContact N-OD1 2.86Å
91C93.7Very high96.6Very high19 Ų1936.8 Ų36.813%0.12820%0.195CC..THydrogen-bonded Turntrans77.3-23.9-171.6-560000116.8A94 S95 S391 Y395C91-A94 PolarHBondContact O-N 3.17Å; C91-S95 VanDerWaalsContact O-CB 3.29Å; C91-S95 WeakPolarHBondContact O-CB 3.44Å; C91-S95 PolarHBondContact O-N 3.36Å; C91-S391 VanDerWaalsContact SG-C 3.51Å; C91-S391 PolarHBondContact SG-O 3.49Å; C91-Y395 VanDerWaalsContact SG-CB 3.58Å
92L97Very high96.1Very high8 Ų839.3 Ų39.34%0.04221%0.206CC..Hα-helixtrans-59-58-170.4174.757.8000112.2M85 T87 E89 G90 A94 S95 V96 N283 A287M85-L92 HydrophobicContact CE-CD1 4.41Å; M85-L92 HydrophobicContact CE-CD2 4.25Å; M85-L92 HydrophobicContact CE-CG 4.05Å; T87-L92 HydrophobicContact CG2-CB 4.26Å; T87-L92 HydrophobicContact CG2-CD2 4.08Å; E89-L92 HydrophobicContact CB-CB 4.31Å; E89-L92 HydrophobicContact CG-CB 4.46Å; E89-L92 PolarHBondContact O-N 3.37Å; G90-L92 VanDerWaalsContact C-N 3.3Å; G90-L92 PolarHBondContact O-N 2.96Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 2.91Å; L92-S95 WeakPolarHBondContact O-CB 3.41Å; L92-S95 PolarHBondContact O-N 3.06Å; L92-S95 VanDerWaalsContact O-N 3.11Å; L92-V96 HydrophobicContact CD1-CG2 4.1Å; L92-V96 PolarHBondContact O-N 3.23Å; L92-N283 HydrophobicContact CD1-CB 3.76Å; L92-N283 HydrophobicContact CD2-CB 4.02Å; L92-A287 HydrophobicContact CD2-CB 4.06Å
93V98.2Very high95.1Very high31 Ų3134.1 Ų34.119%0.18819%0.186CC..Hα-helixtrans-58.7-42.1179.6-179.20000111.3F70 M85 T87 S95 V96 N97F70-V93 WeakPolarHBondContact O-CG1 3.45Å; M85-V93 HydrophobicContact CB-CG2 3.95Å; T87-V93 HydrophobicContact CG2-CG2 3.79Å; V93-S95 VanDerWaalsContact C-N 3.33Å; V93-S95 PolarHBondContact O-N 3.22Å; V93-V96 PolarHBondContact O-N 3.39Å; V93-N97 WeakPolarHBondContact O-CB 3.34Å; V93-N97 PolarHBondContact O-N 3.36Å
94A96Very high94.3Very high52 Ų5237.4 Ų37.443%0.4322%0.221SC..Hα-helixtrans-63.9-38.3178.400000112.4C91 L92 R98C91-A94 PolarHBondContact O-N 3.17Å; L92-A94 VanDerWaalsContact C-N 3.29Å; L92-A94 PolarHBondContact O-N 2.91Å; A94-R98 PolarHBondContact O-N 3.42Å
95S95.1Very high94.1Very high27 Ų2738 Ų3819%0.18923%0.227CC..Hα-helixtrans-66.3-50177.2-173.20000111.1C91 L92 V93 N97 R98 G99 S378C91-S95 VanDerWaalsContact O-CB 3.29Å; C91-S95 WeakPolarHBondContact O-CB 3.44Å; C91-S95 PolarHBondContact O-N 3.36Å; L92-S95 WeakPolarHBondContact O-CB 3.41Å; L92-S95 PolarHBondContact O-N 3.06Å; L92-S95 VanDerWaalsContact O-N 3.11Å; V93-S95 VanDerWaalsContact C-N 3.33Å; V93-S95 PolarHBondContact O-N 3.22Å; S95-N97 VanDerWaalsContact C-N 3.32Å; S95-N97 PolarHBondContact O-N 3.36Å; S95-R98 WeakPolarHBondContact O-CB 3.46Å; S95-R98 PolarHBondContact O-N 3.4Å; S95-G99 PolarHBondContact O-N 3.2Å; S95-S378 WeakPolarHBondContact O-CB 3.46Å; S95-S378 PolarHBondContact O-OG 3.1Å; S95-S378 PolarHBondContact OG-OG 2.67Å
96V97.8Very high94Very high0 Ų038.2 Ų38.20%023%0.229CC..Hα-helixtrans-62.2-42176.8-179.70000110.5A71 M85 L92 V93 R98 G99 C100 V284A71-V96 HydrophobicContact CB-CB 4.07Å; A71-V96 HydrophobicContact CB-CG1 3.75Å; M85-V96 HydrophobicContact CE-CB 4.39Å; M85-V96 HydrophobicContact CE-CG2 3.88Å; M85-V96 HydrophobicContact SD-CB 3.98Å; M85-V96 HydrophobicContact SD-CG1 3.99Å; M85-V96 HydrophobicContact SD-CG2 4.14Å; L92-V96 HydrophobicContact CD1-CG2 4.1Å; L92-V96 PolarHBondContact O-N 3.23Å; V93-V96 PolarHBondContact O-N 3.39Å; V96-R98 VanDerWaalsContact C-N 3.32Å; V96-R98 PolarHBondContact O-N 3.06Å; V96-G99 CarbonylContact O-C 3.5Å; V96-G99 WeakPolarHBondContact O-CA 3.5Å; V96-G99 PolarHBondContact O-N 2.94Å; V96-C100 PolarHBondContact O-N 2.93Å; V96-C100 PolarHBondContact O-SG 3.11Å; V96-V284 HydrophobicContact CG2-CG2 3.86Å
97N97.3Very high94Very high32 Ų3242.8 Ų42.817%0.17125%0.251CS..Hα-helixtrans-59-39.9176.4-176.381.6000112.9A71 G72 V93 S95 C100 R101A71-N97 HydrophobicContact CB-CB 4.03Å; G72-N97 PolarHBondContact N-OD1 2.95Å; G72-N97 PolarHBondContact O-OD1 3.07Å; V93-N97 WeakPolarHBondContact O-CB 3.34Å; V93-N97 PolarHBondContact O-N 3.36Å; S95-N97 VanDerWaalsContact C-N 3.32Å; S95-N97 PolarHBondContact O-N 3.36Å; N97-C100 PolarHBondContact O-N 2.81Å; N97-R101 PolarHBondContact ND2-NE 3.24Å; N97-R101 WeakPolarHBondContact O-CG 3.39Å; N97-R101 PolarHBondContact O-N 3.48Å
98R94Very high94.1Very high68 Ų6842.5 Ų42.526%0.25725%0.249SC..Hα-helixtrans-61.4-46.5171.1-179-173.4-179.8-162.31.6110.4A94 S95 V96 C100 R101 E102 V248 L249A94-R98 PolarHBondContact O-N 3.42Å; S95-R98 WeakPolarHBondContact O-CB 3.46Å; S95-R98 PolarHBondContact O-N 3.4Å; V96-R98 VanDerWaalsContact C-N 3.32Å; V96-R98 PolarHBondContact O-N 3.06Å; R98-C100 VanDerWaalsContact C-N 3.29Å; R98-C100 PolarHBondContact O-N 2.94Å; R98-R101 PolarHBondContact O-N 2.87Å; R98-E102 HydrophobicContact CG-CG 4.22Å; R98-E102 WeakPolarHBondContact O-CB 3.26Å; R98-E102 WeakPolarHBondContact O-CG 3.25Å; R98-E102 PolarHBondContact O-N 2.81Å; R98-V248 PolarHBondContact NH2-O 2.89Å; R98-L249 PolarHBondContact NH2-O 3.43Å; R98-L249 VanDerWaalsContact NH2-O 3.17Å
99G95.5Very high94.1Very high0 Ų038.9 Ų38.90%023%0.232CC..Hα-helixtrans-55.5-42.7175.300000113.6S95 V96 G103 A374S95-G99 PolarHBondContact O-N 3.2Å; V96-G99 CarbonylContact O-C 3.5Å; V96-G99 WeakPolarHBondContact O-CA 3.5Å; V96-G99 PolarHBondContact O-N 2.94Å; G99-G103 WeakPolarHBondContact O-CA 3.41Å; G99-G103 PolarHBondContact O-N 2.9Å; G99-A374 VanDerWaalsContact CA-O 3.27Å; G99-A374 WeakPolarHBondContact CA-O 3.25Å
100C96.4Very high94.2Very high7 Ų738.6 Ų38.65%0.04723%0.232CC..Hα-helixtrans-63.9-43.8-179.4-61.80000112.7P73 L74 V96 N97 R98 E102P73-C100 CarbonylContact O-C 3.52Å; P73-C100 WeakPolarHBondContact O-CB 3.35Å; L74-C100 HydrophobicContact CB-CB 3.9Å; L74-C100 HydrophobicContact CD1-CB 4.1Å; V96-C100 PolarHBondContact O-N 2.93Å; V96-C100 PolarHBondContact O-SG 3.11Å; N97-C100 PolarHBondContact O-N 2.81Å; R98-C100 VanDerWaalsContact C-N 3.29Å; R98-C100 PolarHBondContact O-N 2.94Å; C100-E102 VanDerWaalsContact C-N 3.34Å
101R91.4Very high94.5Very high152 Ų15242.6 Ų42.657%0.57425%0.248SC*.Hα-helixtrans-70-33.8-177.2-71.9179.5176.4-140.4-2.2113G72 N97 R98G72-R101 PolarHBondContact O-NE 3.45Å; N97-R101 PolarHBondContact ND2-NE 3.24Å; N97-R101 WeakPolarHBondContact O-CG 3.39Å; N97-R101 PolarHBondContact O-N 3.48Å; R98-R101 PolarHBondContact O-N 2.87Å
102E86.9Confident94.7Very high62 Ų6244 Ų4429%0.2926%0.258SS..Hα-helixtrans-104.9-3.4-168-51.6-54.4171.500113R98 C100 L240 V248 L249R98-E102 HydrophobicContact CG-CG 4.22Å; R98-E102 WeakPolarHBondContact O-CB 3.26Å; R98-E102 WeakPolarHBondContact O-CG 3.25Å; R98-E102 PolarHBondContact O-N 2.81Å; C100-E102 VanDerWaalsContact C-N 3.34Å; E102-L240 VanDerWaalsContact O-CD2 3.26Å; E102-L240 WeakPolarHBondContact O-CD2 3.49Å; E102-V248 HydrophobicContact CB-CG1 3.55Å; E102-V248 HydrophobicContact CG-CG1 3.16Å; E102-V248 WeakPolarHBondContact OE2-CG1 3.5Å; E102-L249 HydrophobicContact CB-CD2 4.35Å
103G77.8Confident94.7Very high2 Ų245 Ų452%0.02126%0.263CS..SBendtrans-83.5-2.2-171.900000116.5G99 G105 A238G99-G103 WeakPolarHBondContact O-CA 3.41Å; G99-G103 PolarHBondContact O-N 2.9Å; G103-G105 PolarHBondContact O-N 2.74Å; G103-A238 WeakPolarHBondContact O-CB 3.16Å
104G81.3Confident94.6Very high70 Ų7044.2 Ų44.272%0.72226%0.259SS*.  trans71.8-6.2179.400000116.2
105G94.6Very high94.7Very high17 Ų1741.8 Ų41.818%0.17524%0.239CC..  trans98.8156-172.600000111.8K75 G103 A238K75-G105 CarbonylContact O-C 3.14Å; K75-G105 VanDerWaalsContact O-CA 3.28Å; K75-G105 WeakPolarHBondContact O-CA 3.41Å; G103-G105 PolarHBondContact O-N 2.74Å; G105-A238 VanDerWaalsContact O-CB 3.26Å; G105-A238 WeakPolarHBondContact O-CB 3.2Å
106V98.4Very high94.9Very high5 Ų540.6 Ų40.63%0.0323%0.231CC..BIsolated β-bridgetrans-121.8128.2-174.9-178.20000109.4L74 K75 V76 D77 T108 E237 A238 L373L74-V106 HydrophobicContact CD1-CG2 4.11Å; K75-V106 PolarHBondContact O-N 3.12Å; V76-V106 WeakPolarHBondContact CA-O 3.04Å; D77-V106 PolarHBondContact N-O 2.89Å; V106-T108 HydrophobicContact CG1-CG2 3.86Å; V106-E237 WeakPolarHBondContact CA-O 3.41Å; V106-A238 HydrophobicContact CG2-CB 4.45Å; V106-L373 HydrophobicContact CG1-CD1 4.15Å; V106-L373 HydrophobicContact CG2-CD1 4.43Å; V106-L373 HydrophobicContact CG2-CD2 4.03Å
107L98.6Very high94.9Very high116 Ų11641.6 Ų41.661%0.60724%0.235SC*.EExtended strand (participates in β ladder)trans-93.9136.5165.8-66.4175.5000108.6G236 E237L107-G236 CarbonylContact O-C 3.58Å; L107-G236 VanDerWaalsContact O-CA 3.25Å; L107-G236 WeakPolarHBondContact O-CA 2.9Å; L107-E237 PolarHBondContact N-O 2.85Å; L107-E237 PolarHBondContact O-N 2.92Å
108T98.8Very high95Very high21 Ų2140.1 Ų40.113%0.12923%0.226CC..EExtended strand (participates in β ladder)trans-126.8154.2-179.377.50000112.4V76 D77 V106 T235 Q366V76-T108 HydrophobicContact CG1-CG2 3.75Å; D77-T108 VanDerWaalsContact CG-OG1 3.3Å; D77-T108 PolarHBondContact OD1-N 3.36Å; D77-T108 PolarHBondContact OD1-OG1 3.37Å; D77-T108 PolarHBondContact OD2-OG1 3.14Å; V106-T108 HydrophobicContact CG1-CG2 3.86Å; T108-T235 CarbonylContact C-O 3.55Å; T108-T235 VanDerWaalsContact CA-O 3.23Å; T108-T235 WeakPolarHBondContact CA-O 3.44Å; T108-Q366 HydrophobicContact CG2-CB 4.24Å; T108-Q366 WeakPolarHBondContact OG1-CB 3.4Å; T108-Q366 VanDerWaalsContact OG1-CG 3.24Å; T108-Q366 WeakPolarHBondContact OG1-CG 3.34Å; T108-Q366 PolarHBondContact OG1-NE2 3.26Å
109A98.6Very high95.2Very high44 Ų4436.9 Ų36.936%0.36421%0.214SC..EExtended strand (participates in β ladder)trans-135.8129.6171.500000110.1L111 V234 T235A109-L111 HydrophobicContact CB-CD2 4.44Å; A109-V234 WeakPolarHBondContact O-CA 3.17Å; A109-T235 HydrophobicContact CB-CG2 4.06Å; A109-T235 PolarHBondContact N-O 3.34Å; A109-T235 PolarHBondContact O-N 2.94Å
110L98.4Very high95.3Very high57 Ų5737.5 Ų37.530%0.29822%0.218SC..EExtended strand (participates in β ladder)trans-82.1125.9169.1-173.579000109.4D113 R232 S233 R362L110-D113 HydrophobicContact CD2-CB 4.36Å; L110-R232 HydrophobicContact CD1-CB 4Å; L110-R232 HydrophobicContact CD1-CG 4.27Å; L110-S233 WeakPolarHBondContact CD1-O 3.45Å; L110-R362 HydrophobicContact CD2-CB 4.25Å; L110-R362 HydrophobicContact CD2-CG 3.51Å
111L98.1Very high95.5Very high105 Ų10537.1 Ų37.155%0.5522%0.216SC..EExtended strand (participates in β ladder)trans-100.7-30.8-176.5-51.1178.8000112.3A109 S233 T235 T322A109-L111 HydrophobicContact CB-CD2 4.44Å; L111-S233 PolarHBondContact N-O 2.82Å; L111-T235 HydrophobicContact CD1-CG2 4.31Å; L111-T235 HydrophobicContact CD2-CG2 4.22Å; L111-T235 HydrophobicContact CG-CG2 4.45Å; L111-T322 HydrophobicContact CD1-CG2 4.48Å
112S97.7Very high95.8Very high49 Ų4930.1 Ų30.134%0.34319%0.19SC..EExtended strand (participates in β ladder)trans-160152.8179.6-176.60000111.3R232 S233S112-R232 CarbonylContact O-C 3.59Å; S112-R232 WeakPolarHBondContact O-CA 3.48Å; S112-S233 PolarHBondContact N-O 3Å; S112-S233 PolarHBondContact O-N 2.97Å
113D97.6Very high96.4Very high27 Ų2727.2 Ų27.214%0.14418%0.176CC..EExtended strand (participates in β ladder)trans-140.493.3175.1-174.1-0.1000109.2L110 G231 R232 R362L110-D113 HydrophobicContact CD2-CB 4.36Å; D113-G231 CarbonylContact C-O 3.37Å; D113-G231 WeakPolarHBondContact CA-O 3.4Å; D113-R232 HydrophobicContact CB-CG 4.31Å; D113-R232 IonicContact OD1-CZ 3.58Å; D113-R232 IonicContact OD1-NE 3.88Å; D113-R232 IonicContact OD1-NH2 2.67Å; D113-R232 IonicContact OD2-NE 2.81Å; D113-R362 IonicContact OD2-NH1 3.88Å
114C96.4Very high97.3Very high15 Ų1534 Ų3410%0.10121%0.207CC..EExtended strand (participates in β ladder)trans-154.895.6-168.6-1610000112G175 A176 G231C114-G175 WeakPolarHBondContact SG-CA 3.39Å; C114-A176 CarbonylContact C-O 3.52Å; C114-A176 WeakPolarHBondContact CA-O 3.34Å; C114-A176 PolarHBondContact SG-N 2.75Å; C114-G231 PolarHBondContact N-O 3.34Å; C114-G231 PolarHBondContact O-N 3.17Å
115M98.3Very high98.1Very high1 Ų133.7 Ų33.71%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-72.4142.6168.9-178.15060.200109.8G175 A176 T178 M182 M184 A187 R230 E327M115-G175 WeakPolarHBondContact O-CA 3.13Å; M115-A176 PolarHBondContact N-O 3.21Å; M115-A176 PolarHBondContact O-N 3.16Å; M115-T178 HydrophobicContact CB-CG2 4.02Å; M115-M182 HydrophobicContact CE-CG 3.94Å; M115-M182 WeakPolarHBondContact CE-O 3.09Å; M115-M182 HydrophobicContact CE-SD 3.52Å; M115-M182 VanDerWaalsContact CE-SD 3.52Å; M115-M182 WeakPolarHBondContact CG-O 3.5Å; M115-M182 HydrophobicContact SD-SD 4.23Å; M115-M184 HydrophobicContact CG-CE 4.23Å; M115-M184 HydrophobicContact SD-CE 4.1Å; M115-A187 HydrophobicContact CG-CB 4.45Å; M115-R230 HydrophobicContact SD-CG 4.32Å; M115-R230 PolarHBondContact SD-NH2 3.09Å; M115-R230 VanDerWaalsContact SD-NH2 3.37Å; M115-E327 HydrophobicContact CE-CB 4.12Å; M115-E327 HydrophobicContact CE-CG 4.09Å
116T98.5Very high98.3Very high3 Ų337.3 Ų37.32%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-121147.1-174.5690000113.6R173 F174 M184 C216 R230T116-R173 HydrophobicContact CG2-CG 4.47Å; T116-F174 CarbonylContact C-O 3.5Å; T116-F174 WeakPolarHBondContact CA-O 3.49Å; T116-F174 WeakPolarHBondContact CB-O 3.38Å; T116-M184 WeakPolarHBondContact O-CE 3.45Å; T116-C216 VanDerWaalsContact OG1-C 3.31Å; T116-C216 PolarHBondContact OG1-O 3.37Å; T116-R230 HydrophobicContact CG2-CG 4.29Å; T116-R230 WeakPolarHBondContact OG1-CD 3.36Å; T116-R230 WeakPolarHBondContact OG1-CG 3.46Å; T116-R230 PolarHBondContact OG1-NE 3.36Å
117R98.6Very high98.3Very high21 Ų2146.3 Ų46.38%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-130.5133168.1178.661.566.6-163.810109.1P119 F174 M184 A187 S188 V191 L211R117-P119 WeakPolarHBondContact O-CD 3.38Å; R117-F174 PolarHBondContact N-O 3.07Å; R117-F174 PolarHBondContact O-N 3.07Å; R117-M184 HydrophobicContact CB-CE 4.44Å; R117-M184 VanDerWaalsContact CZ-SD 3.51Å; R117-M184 PolarHBondContact NH2-O 3.5Å; R117-M184 PolarHBondContact NH2-SD 3.32Å; R117-A187 HydrophobicContact CB-CB 4.2Å; R117-S188 VanDerWaalsContact CZ-OG 3.26Å; R117-S188 PolarHBondContact NE-OG 2.83Å; R117-S188 PolarHBondContact NH2-OG 3.5Å; R117-V191 HydrophobicContact CB-CG2 3.75Å; R117-V191 HydrophobicContact CG-CB 4.12Å; R117-V191 HydrophobicContact CG-CG1 4.32Å; R117-V191 HydrophobicContact CG-CG2 3.81Å; R117-L211 WeakPolarHBondContact CD-O 3.14Å
118G98.3Very high98.3Very high0 Ų042.6 Ų42.60%022%0.221CC..  trans-121.973.7-169.200000113.8I172 G213 C216G118-I172 CarbonylContact C-O 3.5Å; G118-I172 WeakPolarHBondContact CA-O 3.31Å; G118-G213 WeakPolarHBondContact O-CA 3.21Å; G118-G213 PolarHBondContact O-N 3.31Å; G118-C216 PolarHBondContact N-SG 3.47Å
119P98.7Very high98.2Very high0 Ų041.6 Ų41.60%022%0.215CC..  trans-64.1159176.128.6-40.2000112.9R117 F171 I172 F174 V191 L195 S210 L211R117-P119 WeakPolarHBondContact O-CD 3.38Å; P119-F171 WeakPolarHBondContact O-CA 3.23Å; P119-I172 WeakPolarHBondContact CD-O 3.42Å; P119-I172 HydrophobicContact CG-CB 4.16Å; P119-I172 HydrophobicContact CG-CD1 4.32Å; P119-I172 PolarHBondContact O-N 2.96Å; P119-F174 HydrophobicContact CG-CD2 3.98Å; P119-F174 HydrophobicContact CG-CE2 3.69Å; P119-V191 HydrophobicContact CB-CG1 4.24Å; P119-V191 HydrophobicContact CG-CG1 3.64Å; P119-L195 HydrophobicContact CB-CD1 3.98Å; P119-L195 HydrophobicContact CG-CD1 4.22Å; P119-S210 CarbonylContact C-O 3.51Å; P119-S210 VanDerWaalsContact CA-O 3.26Å; P119-S210 WeakPolarHBondContact CA-O 3.44Å; P119-S210 WeakPolarHBondContact CB-O 3.47Å; P119-L211 VanDerWaalsContact CA-O 3.28Å; P119-L211 WeakPolarHBondContact CA-O 3.4Å
120V98.8Very high98.2Very high13 Ų1341.4 Ų41.48%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-118.2127.9165.655.90000109.3F169 A170 F171 I209 S210 G213V120-F169 HydrophobicContact CG2-CB 4.32Å; V120-A170 WeakPolarHBondContact CA-O 3.25Å; V120-F171 HydrophobicContact CB-CD1 3.88Å; V120-F171 HydrophobicContact CB-CE1 3.84Å; V120-F171 HydrophobicContact CB-CZ 4.45Å; V120-F171 HydrophobicContact CG2-CD1 4.03Å; V120-F171 HydrophobicContact CG2-CE1 3.72Å; V120-F171 HydrophobicContact CG2-CE2 4.21Å; V120-F171 HydrophobicContact CG2-CG 4.41Å; V120-F171 HydrophobicContact CG2-CZ 3.82Å; V120-I209 HydrophobicContact CG1-CB 4.07Å; V120-I209 HydrophobicContact CG1-CG2 4.07Å; V120-I209 PolarHBondContact O-N 3.15Å; V120-S210 PolarHBondContact N-O 2.72Å; V120-S210 PolarHBondContact O-N 2.96Å; V120-G213 VanDerWaalsContact CG1-CA 3.49Å
121V98.8Very high98.2Very high0 Ų043.8 Ų43.80%023%0.225CC..EExtended strand (participates in β ladder)trans-120.8160.1176.2-53.90000109.6F123 F132 F169 A170 I172 L195 L206 T207 V208V121-F123 HydrophobicContact CG2-CE2 3.73Å; V121-F123 HydrophobicContact CG2-CZ 4.12Å; V121-F132 HydrophobicContact CG2-CD1 4.45Å; V121-F132 HydrophobicContact CG2-CE1 3.69Å; V121-F132 HydrophobicContact CG2-CZ 4.08Å; V121-F169 WeakPolarHBondContact O-CA 3.48Å; V121-A170 HydrophobicContact CG2-CB 3.81Å; V121-A170 PolarHBondContact N-O 3.37Å; V121-A170 PolarHBondContact O-N 3.28Å; V121-I172 HydrophobicContact CG1-CD1 4.15Å; V121-I172 HydrophobicContact CG2-CD1 4.04Å; V121-L195 HydrophobicContact CG1-CD2 3.91Å; V121-L206 HydrophobicContact CB-CD2 3.92Å; V121-L206 HydrophobicContact CB-CG 4.01Å; V121-L206 HydrophobicContact CG1-CD1 4.43Å; V121-L206 HydrophobicContact CG1-CD2 3.76Å; V121-L206 HydrophobicContact CG1-CG 4.22Å; V121-L206 HydrophobicContact CG2-CD1 4.43Å; V121-L206 HydrophobicContact CG2-CG 4.25Å; V121-T207 CarbonylContact C-O 3.49Å; V121-T207 VanDerWaalsContact CA-O 3.29Å; V121-T207 WeakPolarHBondContact CA-O 3.41Å; V121-V208 HydrophobicContact CG1-CG2 4.36Å
122S98.6Very high98.2Very high4 Ų438.8 Ų38.83%0.02820%0.199CC..EExtended strand (participates in β ladder)trans-129.4153.9177.165.30000112.8T207S122-T207 PolarHBondContact N-O 2.92Å; S122-T207 PolarHBondContact O-N 2.86Å
123F98.6Very high98.2Very high2 Ų239.2 Ų39.21%0.00920%0.195CC..  trans-126.1163177.1-63-85.1000109.7V121 N125 Q128 A129 F132 R168 A170 F203 M205 L206V121-F123 HydrophobicContact CG2-CE2 3.73Å; V121-F123 HydrophobicContact CG2-CZ 4.12Å; F123-N125 VanDerWaalsContact C-N 3.29Å; F123-N125 PolarHBondContact O-N 2.92Å; F123-Q128 HydrophobicContact CB-CB 3.72Å; F123-Q128 HydrophobicContact CD1-CB 3.97Å; F123-Q128 HydrophobicContact CG-CB 4.09Å; F123-A129 HydrophobicContact CB-CB 4.25Å; F123-A129 HydrophobicContact CD2-CB 3.61Å; F123-A129 HydrophobicContact CE2-CB 4.39Å; F123-A129 HydrophobicContact CG-CB 4.14Å; F123-F132 HydrophobicContact CE1-CB 3.88Å; F123-F132 HydrophobicContact CE1-CD2 4.16Å; F123-F132 AromaticContact CE1-CG 3.97Å; F123-F132 HydrophobicContact CE1-CG 3.97Å; F123-F132 HydrophobicContact CE2-CB 3.85Å; F123-F132 AromaticContact CE2-CD1 3.43Å; F123-F132 HydrophobicContact CE2-CD1 3.43Å; F123-F132 VanDerWaalsContact CE2-CD1 3.43Å; F123-F132 HydrophobicContact CE2-CD2 4.44Å; F123-F132 AromaticContact CE2-CE1 3.96Å; F123-F132 HydrophobicContact CE2-CE1 3.96Å; F123-F132 AromaticContact CE2-CG 3.68Å; F123-F132 HydrophobicContact CE2-CG 3.68Å; F123-F132 HydrophobicContact CZ-CB 3.43Å; F123-F132 VanDerWaalsContact CZ-CB 3.43Å; F123-F132 AromaticContact CZ-CD1 3.36Å; F123-F132 HydrophobicContact CZ-CD1 3.36Å; F123-F132 AromaticContact CZ-CD2 3.54Å; F123-F132 HydrophobicContact CZ-CD2 3.54Å; F123-F132 AromaticContact CZ-CE1 3.83Å; F123-F132 HydrophobicContact CZ-CE1 3.83Å; F123-F132 HydrophobicContact CZ-CE2 4.01Å; F123-F132 AromaticContact CZ-CG 3.15Å; F123-F132 HydrophobicContact CZ-CG 3.15Å; F123-F132 HydrophobicContact CZ-CZ 4.11Å; F123-R168 PolarHBondContact N-O 3.44Å; F123-R168 VanDerWaalsContact O-CB 3.31Å; F123-R168 WeakPolarHBondContact O-CB 3.07Å; F123-R168 WeakPolarHBondContact O-CD 3.48Å; F123-R168 VanDerWaalsContact O-CG 3.25Å; F123-R168 WeakPolarHBondContact O-CG 3.39Å; F123-R168 PolarHBondContact O-NH1 2.99Å; F123-A170 HydrophobicContact CE2-CB 4.11Å; F123-F203 HydrophobicContact CE1-CD1 4.39Å; F123-M205 HydrophobicContact CD1-CG 3.88Å; F123-M205 HydrophobicContact CD1-SD 4.41Å; F123-M205 HydrophobicContact CE1-CG 4.32Å; F123-M205 HydrophobicContact CE1-SD 4.34Å; F123-L206 HydrophobicContact CE1-CB 4Å; F123-L206 HydrophobicContact CE1-CG 4.38Å; F123-L206 HydrophobicContact CZ-CB 4.23Å; F123-L206 HydrophobicContact CZ-CD1 4.28Å; F123-L206 HydrophobicContact CZ-CG 4.1Å
124E98Very high98.2Very high144 Ų14441.8 Ų41.867%0.67322%0.215SC*.SBendtrans-59.9-41179.3-170.5-173.9170.500111.9Q128E124-Q128 VanDerWaalsContact CB-OE1 3.25Å; E124-Q128 PolarHBondContact OE2-NE2 3.07Å; E124-Q128 VanDerWaalsContact OE2-NE2 3.1Å
125N98Very high98.3Very high63 Ų6343.5 Ų43.534%0.33722%0.219SC..SBendtrans-144.9168-177.661.162.6000112.3F123 R127 Q128 A129F123-N125 VanDerWaalsContact C-N 3.29Å; F123-N125 PolarHBondContact O-N 2.92Å; N125-R127 VanDerWaalsContact C-N 3.25Å; N125-R127 PolarHBondContact O-N 2.9Å; N125-R127 WeakPolarHBondContact OD1-CB 3.24Å; N125-R127 PolarHBondContact OD1-N 3.38Å; N125-R127 VanDerWaalsContact OD1-N 3.11Å; N125-Q128 PolarHBondContact O-N 2.97Å; N125-Q128 PolarHBondContact OD1-N 2.87Å; N125-A129 PolarHBondContact O-N 3.29Å
126V98.2Very high98.2Very high94 Ų9443.6 Ų43.657%0.5722%0.22SC*.Hα-helixtrans-61.9-29.6-178.265.90000113.2A129 A130V126-A129 PolarHBondContact O-N 2.82Å; V126-A130 WeakPolarHBondContact O-CB 3.49Å; V126-A130 PolarHBondContact O-N 3.46Å
127R98.1Very high98Very high193 Ų19347.5 Ų47.573%0.72824%0.238SC*.Hα-helixtrans-68.1-42.5179.5-179177.9-86.8-168.2-5.5110.9N125 A130 L131N125-R127 VanDerWaalsContact C-N 3.25Å; N125-R127 PolarHBondContact O-N 2.9Å; N125-R127 WeakPolarHBondContact OD1-CB 3.24Å; N125-R127 PolarHBondContact OD1-N 3.38Å; N125-R127 VanDerWaalsContact OD1-N 3.11Å; R127-A130 PolarHBondContact O-N 2.91Å; R127-L131 HydrophobicContact CG-CD1 4.41Å; R127-L131 WeakPolarHBondContact O-CG 3.31Å; R127-L131 PolarHBondContact O-N 2.83Å
128Q98.1Very high97.9Very high39 Ų3950.1 Ų50.118%0.18225%0.254CS..Hα-helixtrans-61.7-44173.4-71.9174.64.500111.5F123 E124 N125 A130 L131 F132F123-Q128 HydrophobicContact CB-CB 3.72Å; F123-Q128 HydrophobicContact CD1-CB 3.97Å; F123-Q128 HydrophobicContact CG-CB 4.09Å; E124-Q128 VanDerWaalsContact CB-OE1 3.25Å; E124-Q128 PolarHBondContact OE2-NE2 3.07Å; E124-Q128 VanDerWaalsContact OE2-NE2 3.1Å; N125-Q128 PolarHBondContact O-N 2.97Å; N125-Q128 PolarHBondContact OD1-N 2.87Å; Q128-A130 VanDerWaalsContact C-N 3.34Å; Q128-A130 PolarHBondContact O-N 2.98Å; Q128-L131 PolarHBondContact O-N 3.34Å; Q128-F132 WeakPolarHBondContact O-CB 3.36Å; Q128-F132 PolarHBondContact O-N 2.75Å
129A98.4Very high97.8Very high0 Ų055.2 Ų55.20%029%0.289CS..Hα-helixtrans-62.8-38.7177.100000112.8F123 N125 V126 F132 K133 L165F123-A129 HydrophobicContact CB-CB 4.25Å; F123-A129 HydrophobicContact CD2-CB 3.61Å; F123-A129 HydrophobicContact CE2-CB 4.39Å; F123-A129 HydrophobicContact CG-CB 4.14Å; N125-A129 PolarHBondContact O-N 3.29Å; V126-A129 PolarHBondContact O-N 2.82Å; A129-F132 WeakPolarHBondContact O-CB 3.15Å; A129-F132 PolarHBondContact O-N 3.28Å; A129-K133 PolarHBondContact O-N 3Å; A129-L165 HydrophobicContact CB-CD2 4.05Å
130A98.2Very high97.7Very high39 Ų3958.1 Ų58.132%0.32231%0.313SS..Hα-helixtrans-66.9-41.5175.800000112.9V126 R127 Q128 F132 K133 S134 L165V126-A130 WeakPolarHBondContact O-CB 3.49Å; V126-A130 PolarHBondContact O-N 3.46Å; R127-A130 PolarHBondContact O-N 2.91Å; Q128-A130 VanDerWaalsContact C-N 3.34Å; Q128-A130 PolarHBondContact O-N 2.98Å; A130-F132 VanDerWaalsContact C-N 3.33Å; A130-K133 PolarHBondContact O-N 3.05Å; A130-S134 PolarHBondContact O-N 3.04Å; A130-S134 PolarHBondContact O-OG 3.46Å; A130-L165 HydrophobicContact CB-CD1 4.33Å
131L97.8Very high97.6Very high107 Ų10758.6 Ų58.656%0.5632%0.315SS*.Hα-helixtrans-61.1-44172.9-73169.5000111R127 Q128 S134 W135R127-L131 HydrophobicContact CG-CD1 4.41Å; R127-L131 WeakPolarHBondContact O-CG 3.31Å; R127-L131 PolarHBondContact O-N 2.83Å; Q128-L131 PolarHBondContact O-N 3.34Å; L131-S134 PolarHBondContact O-N 3.1Å; L131-W135 WeakPolarHBondContact O-CB 3.26Å; L131-W135 PolarHBondContact O-N 3.38Å
132F98.2Very high97.5Very high0 Ų061.8 Ų61.80%033%0.329CS..Hα-helixtrans-60.6-47.2176.9175.6-109.4000113.2V121 F123 Q128 A129 A130 S134 W135 L136 A170 I172 L198 F203 L206V121-F132 HydrophobicContact CG2-CD1 4.45Å; V121-F132 HydrophobicContact CG2-CE1 3.69Å; V121-F132 HydrophobicContact CG2-CZ 4.08Å; F123-F132 HydrophobicContact CE1-CB 3.88Å; F123-F132 HydrophobicContact CE1-CD2 4.16Å; F123-F132 AromaticContact CE1-CG 3.97Å; F123-F132 HydrophobicContact CE1-CG 3.97Å; F123-F132 HydrophobicContact CE2-CB 3.85Å; F123-F132 AromaticContact CE2-CD1 3.43Å; F123-F132 HydrophobicContact CE2-CD1 3.43Å; F123-F132 VanDerWaalsContact CE2-CD1 3.43Å; F123-F132 HydrophobicContact CE2-CD2 4.44Å; F123-F132 AromaticContact CE2-CE1 3.96Å; F123-F132 HydrophobicContact CE2-CE1 3.96Å; F123-F132 AromaticContact CE2-CG 3.68Å; F123-F132 HydrophobicContact CE2-CG 3.68Å; F123-F132 HydrophobicContact CZ-CB 3.43Å; F123-F132 VanDerWaalsContact CZ-CB 3.43Å; F123-F132 AromaticContact CZ-CD1 3.36Å; F123-F132 HydrophobicContact CZ-CD1 3.36Å; F123-F132 AromaticContact CZ-CD2 3.54Å; F123-F132 HydrophobicContact CZ-CD2 3.54Å; F123-F132 AromaticContact CZ-CE1 3.83Å; F123-F132 HydrophobicContact CZ-CE1 3.83Å; F123-F132 HydrophobicContact CZ-CE2 4.01Å; F123-F132 AromaticContact CZ-CG 3.15Å; F123-F132 HydrophobicContact CZ-CG 3.15Å; F123-F132 HydrophobicContact CZ-CZ 4.11Å; Q128-F132 WeakPolarHBondContact O-CB 3.36Å; Q128-F132 PolarHBondContact O-N 2.75Å; A129-F132 WeakPolarHBondContact O-CB 3.15Å; A129-F132 PolarHBondContact O-N 3.28Å; A130-F132 VanDerWaalsContact C-N 3.33Å; F132-S134 PolarHBondContact O-N 3.39Å; F132-W135 PolarHBondContact O-N 2.91Å; F132-L136 HydrophobicContact CD1-CD1 3.78Å; F132-L136 HydrophobicContact CD2-CD1 4.16Å; F132-L136 HydrophobicContact CE1-CD1 3.22Å; F132-L136 HydrophobicContact CE1-CG 4.44Å; F132-L136 HydrophobicContact CE2-CD1 3.64Å; F132-L136 HydrophobicContact CE2-CG 4.13Å; F132-L136 HydrophobicContact CG-CD1 4.25Å; F132-L136 HydrophobicContact CZ-CD1 3.17Å; F132-L136 HydrophobicContact CZ-CG 4.13Å; F132-L136 WeakPolarHBondContact O-CB 3.38Å; F132-L136 PolarHBondContact O-N 3.47Å; F132-A170 HydrophobicContact CD1-CB 3.87Å; F132-A170 HydrophobicContact CE1-CB 3.91Å; F132-I172 HydrophobicContact CE1-CD1 3.64Å; F132-I172 HydrophobicContact CE1-CG1 4.02Å; F132-I172 HydrophobicContact CZ-CD1 3.66Å; F132-I172 HydrophobicContact CZ-CG1 4.47Å; F132-L198 HydrophobicContact CE2-CD1 4.14Å; F132-L198 HydrophobicContact CZ-CD1 4.37Å; F132-F203 HydrophobicContact CB-CD1 4.25Å; F132-F203 HydrophobicContact CB-CE1 3.97Å; F132-F203 HydrophobicContact CB-CZ 4.36Å; F132-F203 HydrophobicContact CD2-CB 4.45Å; F132-F203 AromaticContact CD2-CD1 3.9Å; F132-F203 HydrophobicContact CD2-CD1 3.9Å; F132-F203 AromaticContact CD2-CD2 3.62Å; F132-F203 HydrophobicContact CD2-CD2 3.62Å; F132-F203 HydrophobicContact CD2-CE1 4.02Å; F132-F203 AromaticContact CD2-CE2 3.76Å; F132-F203 HydrophobicContact CD2-CE2 3.76Å; F132-F203 AromaticContact CD2-CG 3.71Å; F132-F203 HydrophobicContact CD2-CG 3.71Å; F132-F203 AromaticContact CD2-CZ 3.96Å; F132-F203 HydrophobicContact CD2-CZ 3.96Å; F132-F203 AromaticContact CE2-CD2 3.99Å; F132-F203 HydrophobicContact CE2-CD2 3.99Å; F132-F203 HydrophobicContact CE2-CE2 4.35Å; F132-F203 HydrophobicContact CE2-CG 4.27Å; F132-L206 HydrophobicContact CD2-CD1 4.35Å; F132-L206 HydrophobicContact CE2-CD1 3.47Å; F132-L206 VanDerWaalsContact CE2-CD1 3.47Å; F132-L206 HydrophobicContact CZ-CD1 3.57Å
133K98.1Very high97.5Very high59 Ų5965.1 Ų65.126%0.25735%0.352SS..Hα-helixtrans-57-49.5174.3167.1167.2172.268.20111.4A129 A130 W135 L136 E137 V163 L165A129-K133 PolarHBondContact O-N 3Å; A130-K133 PolarHBondContact O-N 3.05Å; K133-W135 VanDerWaalsContact C-N 3.27Å; K133-W135 PolarHBondContact O-N 2.79Å; K133-L136 PolarHBondContact O-N 3.28Å; K133-E137 WeakPolarHBondContact CE-OE2 3.3Å; K133-E137 IonicContact NZ-OE1 3.68Å; K133-E137 PolarHBondContact NZ-OE1 3.36Å; K133-E137 IonicContact NZ-OE2 2.85Å; K133-E137 PolarHBondContact NZ-OE2 3.39Å; K133-E137 PolarHBondContact O-N 2.97Å; K133-E137 VanDerWaalsContact O-N 3.08Å; K133-V163 HydrophobicContact CB-CB 4.23Å; K133-V163 HydrophobicContact CB-CG1 3.91Å; K133-V163 HydrophobicContact CD-CB 4.24Å; K133-V163 HydrophobicContact CD-CG1 4.29Å; K133-V163 HydrophobicContact CG-CB 3.96Å; K133-V163 HydrophobicContact CG-CG1 4.13Å; K133-V163 PolarHBondContact NZ-O 3.05Å; K133-L165 HydrophobicContact CB-CD1 4.03Å; K133-L165 HydrophobicContact CB-CD2 4.23Å; K133-L165 HydrophobicContact CB-CG 4.22Å; K133-L165 HydrophobicContact CD-CD1 3.9Å; K133-L165 HydrophobicContact CD-CG 3.84Å
134S97.5Very high97.4Very high81 Ų8171.1 Ų71.157%0.56638%0.376SS*.Hα-helixtrans-61.1-39-177.7-53.60000111.5A130 L131 F132 D138A130-S134 PolarHBondContact O-N 3.04Å; A130-S134 PolarHBondContact O-OG 3.46Å; L131-S134 PolarHBondContact O-N 3.1Å; F132-S134 PolarHBondContact O-N 3.39Å; S134-D138 PolarHBondContact O-N 2.88Å
135W97.8Very high97.4Very high51 Ų5164.3 Ų64.319%0.19334%0.344CS..Hα-helixtrans-69.3-43.9177.3-169.296.2000112.6L131 F132 K133 E137 D138 N141 L145 L198 H202 F203L131-W135 WeakPolarHBondContact O-CB 3.26Å; L131-W135 PolarHBondContact O-N 3.38Å; F132-W135 PolarHBondContact O-N 2.91Å; K133-W135 VanDerWaalsContact C-N 3.27Å; K133-W135 PolarHBondContact O-N 2.79Å; W135-E137 VanDerWaalsContact C-N 3.31Å; W135-E137 PolarHBondContact O-N 3.33Å; W135-D138 PolarHBondContact O-N 3.18Å; W135-N141 HydrophobicContact CD2-CB 4.24Å; W135-N141 VanDerWaalsContact CE2-CG 3.47Å; W135-N141 VanDerWaalsContact CE2-ND2 3.35Å; W135-N141 HydrophobicContact CE3-CB 4.15Å; W135-N141 HydrophobicContact CH2-CB 3.84Å; W135-N141 HydrophobicContact CZ2-CB 3.93Å; W135-N141 HydrophobicContact CZ3-CB 3.94Å; W135-N141 PolarHBondContact NE1-ND2 2.99Å; W135-N141 PolarHBondContact O-ND2 3.44Å; W135-L145 HydrophobicContact CZ3-CD2 4.08Å; W135-L198 HydrophobicContact CE3-CD2 4.11Å; W135-L198 HydrophobicContact CH2-CD2 4.08Å; W135-L198 HydrophobicContact CZ3-CD2 3.48Å; W135-L198 VanDerWaalsContact CZ3-CD2 3.48Å; W135-H202 AromaticContact CH2-CD2 3.71Å; W135-H202 AromaticContact CH2-CG 3.93Å; W135-H202 AromaticContact CH2-NE2 3.85Å; W135-H202 HydrophobicContact CZ2-CB 4.37Å; W135-H202 AromaticContact CZ2-CD2 3.81Å; W135-H202 AromaticContact CZ2-CE1 3.53Å; W135-H202 AromaticContact CZ2-CG 3.63Å; W135-H202 AromaticContact CZ2-ND1 3.45Å; W135-H202 WeakPolarHBondContact CZ2-ND1 3.46Å; W135-H202 AromaticContact CZ2-NE2 3.77Å; W135-F203 HydrophobicContact CB-CE2 4.05Å; W135-F203 HydrophobicContact CB-CZ 3.58Å; W135-F203 AromaticContact CD2-CE2 3.68Å; W135-F203 HydrophobicContact CD2-CE2 3.68Å; W135-F203 HydrophobicContact CD2-CZ 4.08Å; W135-F203 AromaticContact CE3-CE2 3.8Å; W135-F203 HydrophobicContact CE3-CE2 3.8Å; W135-F203 AromaticContact CG-CE2 3.79Å; W135-F203 HydrophobicContact CG-CE2 3.79Å; W135-F203 AromaticContact CG-CZ 3.66Å; W135-F203 HydrophobicContact CG-CZ 3.66Å
136L97.1Very high97.4Very high3 Ų361.8 Ų61.82%0.01633%0.332CS..Hα-helixtrans-64.2-33.8179.8-92.3169.4000113.4F132 K133 L145 V161 V163 I172 L198F132-L136 HydrophobicContact CD1-CD1 3.78Å; F132-L136 HydrophobicContact CD2-CD1 4.16Å; F132-L136 HydrophobicContact CE1-CD1 3.22Å; F132-L136 HydrophobicContact CE1-CG 4.44Å; F132-L136 HydrophobicContact CE2-CD1 3.64Å; F132-L136 HydrophobicContact CE2-CG 4.13Å; F132-L136 HydrophobicContact CG-CD1 4.25Å; F132-L136 HydrophobicContact CZ-CD1 3.17Å; F132-L136 HydrophobicContact CZ-CG 4.13Å; F132-L136 WeakPolarHBondContact O-CB 3.38Å; F132-L136 PolarHBondContact O-N 3.47Å; K133-L136 PolarHBondContact O-N 3.28Å; L136-L145 HydrophobicContact CD2-CD1 3.61Å; L136-L145 HydrophobicContact CD2-CD2 3.71Å; L136-L145 HydrophobicContact CD2-CG 4.32Å; L136-V161 HydrophobicContact CD2-CG1 4.13Å; L136-V163 HydrophobicContact CB-CG2 3.98Å; L136-V163 HydrophobicContact CD1-CG2 3.72Å; L136-I172 HydrophobicContact CD1-CD1 4.17Å; L136-I172 HydrophobicContact CD1-CG1 4.2Å; L136-I172 HydrophobicContact CD1-CG2 4.3Å; L136-L198 HydrophobicContact CD2-CD1 4.13Å
137E94.7Very high97.4Very high85 Ų8563.4 Ų63.440%0.39733%0.331SS..Hα-helixtrans-92.6-3.5-178.1-69179.8169.900113.2K133 W135 S139 V163K133-E137 WeakPolarHBondContact CE-OE2 3.3Å; K133-E137 IonicContact NZ-OE1 3.68Å; K133-E137 PolarHBondContact NZ-OE1 3.36Å; K133-E137 IonicContact NZ-OE2 2.85Å; K133-E137 PolarHBondContact NZ-OE2 3.39Å; K133-E137 PolarHBondContact O-N 2.97Å; K133-E137 VanDerWaalsContact O-N 3.08Å; W135-E137 VanDerWaalsContact C-N 3.31Å; W135-E137 PolarHBondContact O-N 3.33Å; E137-S139 PolarHBondContact O-N 3.2Å; E137-V163 HydrophobicContact CG-CG2 4.32Å; E137-V163 PolarHBondContact OE1-N 3.34Å
138D96.2Very high97.4Very high76 Ų7655 Ų5541%0.40630%0.303SS..  trans-69.9120.1169.9-172-19.1000110S134 W135 A140 N141S134-D138 PolarHBondContact O-N 2.88Å; W135-D138 PolarHBondContact O-N 3.18Å; D138-A140 PolarHBondContact O-N 2.95Å; D138-A140 VanDerWaalsContact O-N 3.12Å; D138-A140 WeakPolarHBondContact OD1-CB 3.32Å; D138-A140 PolarHBondContact OD1-N 2.98Å; D138-N141 PolarHBondContact O-N 3.46Å
139S95.3Very high97.4Very high106 Ų10653.1 Ų53.174%0.74129%0.294SS*.THydrogen-bonded Turntrans-54-29.2177.561.50000113.8E137 N141 F142E137-S139 PolarHBondContact O-N 3.2Å; S139-N141 PolarHBondContact O-N 3.05Å; S139-F142 PolarHBondContact O-N 3.04Å
140A96.8Very high97.4Very high62 Ų6256.4 Ų56.451%0.51231%0.31SS..THydrogen-bonded Turntrans-65.6-26.5176.700000112.4D138D138-A140 PolarHBondContact O-N 2.95Å; D138-A140 VanDerWaalsContact O-N 3.12Å; D138-A140 WeakPolarHBondContact OD1-CB 3.32Å; D138-A140 PolarHBondContact OD1-N 2.98Å
141N97Very high97.4Very high22 Ų2260 Ų6012%0.11832%0.323CS..THydrogen-bonded Turntrans-93.6-14.1-176.9-62.8-37.5000113.7W135 D138 S139 S143 Y144 L145W135-N141 HydrophobicContact CD2-CB 4.24Å; W135-N141 VanDerWaalsContact CE2-CG 3.47Å; W135-N141 VanDerWaalsContact CE2-ND2 3.35Å; W135-N141 HydrophobicContact CE3-CB 4.15Å; W135-N141 HydrophobicContact CH2-CB 3.84Å; W135-N141 HydrophobicContact CZ2-CB 3.93Å; W135-N141 HydrophobicContact CZ3-CB 3.94Å; W135-N141 PolarHBondContact NE1-ND2 2.99Å; W135-N141 PolarHBondContact O-ND2 3.44Å; D138-N141 PolarHBondContact O-N 3.46Å; S139-N141 PolarHBondContact O-N 3.05Å; N141-S143 PolarHBondContact O-N 3.22Å; N141-Y144 PolarHBondContact O-N 3.02Å; N141-Y144 VanDerWaalsContact O-N 3.1Å; N141-L145 PolarHBondContact O-N 3.42Å
142F97.6Very high97.4Very high68 Ų6856 Ų5630%0.29830%0.304SS..Hα-helixtrans-57.8-34.6-175.9-174.2-91.5000112.8S139 Y144 L145 A146 L158 V161S139-F142 PolarHBondContact O-N 3.04Å; F142-Y144 VanDerWaalsContact C-N 3.32Å; F142-Y144 PolarHBondContact O-N 2.86Å; F142-L145 WeakPolarHBondContact O-CB 3.28Å; F142-L145 PolarHBondContact O-N 2.9Å; F142-A146 HydrophobicContact CD1-CB 4.2Å; F142-A146 HydrophobicContact CE1-CB 3.95Å; F142-A146 WeakPolarHBondContact O-CB 3.23Å; F142-A146 PolarHBondContact O-N 3.44Å; F142-L158 HydrophobicContact CE2-CD2 4.21Å; F142-L158 HydrophobicContact CE2-CG 4.28Å; F142-L158 HydrophobicContact CZ-CB 4.42Å; F142-L158 HydrophobicContact CZ-CD2 4.22Å; F142-L158 HydrophobicContact CZ-CG 4.03Å; F142-V161 HydrophobicContact CE2-CG2 4.17Å
143S97.1Very high97.4Very high73 Ų7357.3 Ų57.351%0.5131%0.313SS..Hα-helixtrans-61.9-36.2178.960.70000113N141 K147N141-S143 PolarHBondContact O-N 3.22Å; S143-K147 VanDerWaalsContact O-CB 3.31Å; S143-K147 WeakPolarHBondContact O-CB 3.46Å; S143-K147 PolarHBondContact O-N 3.34Å
144Y97.2Very high97.2Very high129 Ų12964.8 Ų64.851%0.50634%0.339SS..Hα-helixtrans-67.5-42.3174.9-59.8-71.7000111.6N141 F142 A148N141-Y144 PolarHBondContact O-N 3.02Å; N141-Y144 VanDerWaalsContact O-N 3.1Å; F142-Y144 VanDerWaalsContact C-N 3.32Å; F142-Y144 PolarHBondContact O-N 2.86Å; Y144-A148 PolarHBondContact O-N 3.42Å; Y144-A148 VanDerWaalsContact O-N 3.09Å
145L98.1Very high97.1Very high0 Ų063.5 Ų63.50%032%0.323CS..Hα-helixtrans-63.6-48.9176.7-55.7176.1000110.8W135 L136 N141 F142 K147 A148 F149 L158 V161 V194 M197 L198W135-L145 HydrophobicContact CZ3-CD2 4.08Å; L136-L145 HydrophobicContact CD2-CD1 3.61Å; L136-L145 HydrophobicContact CD2-CD2 3.71Å; L136-L145 HydrophobicContact CD2-CG 4.32Å; N141-L145 PolarHBondContact O-N 3.42Å; F142-L145 WeakPolarHBondContact O-CB 3.28Å; F142-L145 PolarHBondContact O-N 2.9Å; L145-K147 PolarHBondContact O-N 3.39Å; L145-A148 PolarHBondContact O-N 3.11Å; L145-F149 WeakPolarHBondContact O-CB 3.44Å; L145-F149 PolarHBondContact O-N 2.81Å; L145-L158 HydrophobicContact CB-CD2 3.86Å; L145-V161 HydrophobicContact CD1-CG2 4.11Å; L145-V194 HydrophobicContact CD2-CG1 3.74Å; L145-V194 WeakPolarHBondContact O-CG2 3.43Å; L145-M197 HydrophobicContact CD2-CE 4.1Å; L145-L198 HydrophobicContact CD2-CD1 4.27Å; L145-L198 HydrophobicContact CD2-CD2 4.03Å; L145-L198 HydrophobicContact CD2-CG 4.36Å
146A98.3Very high97Very high11 Ų1161.2 Ų61.29%0.09132%0.315CS..Hα-helixtrans-59.9-46.8179.300000110.5F142 A148 F149 E150 L158F142-A146 HydrophobicContact CD1-CB 4.2Å; F142-A146 HydrophobicContact CE1-CB 3.95Å; F142-A146 WeakPolarHBondContact O-CB 3.23Å; F142-A146 PolarHBondContact O-N 3.44Å; A146-A148 PolarHBondContact O-N 3.32Å; A146-F149 PolarHBondContact O-N 3.3Å; A146-E150 VanDerWaalsContact O-CB 3.25Å; A146-E150 WeakPolarHBondContact O-CB 3.49Å; A146-E150 WeakPolarHBondContact O-CG 3.11Å; A146-E150 PolarHBondContact O-N 3.4Å; A146-L158 HydrophobicContact CB-CB 4.27Å; A146-L158 HydrophobicContact CB-CD2 4.39Å
147K98.2Very high97Very high127 Ų12766.5 Ų66.555%0.55234%0.338SS*.Hα-helixtrans-57.6-52.7177.5178.4163.7176.844.50112.4S143 L145 F149 E150 D151S143-K147 VanDerWaalsContact O-CB 3.31Å; S143-K147 WeakPolarHBondContact O-CB 3.46Å; S143-K147 PolarHBondContact O-N 3.34Å; L145-K147 PolarHBondContact O-N 3.39Å; K147-F149 VanDerWaalsContact C-N 3.26Å; K147-F149 PolarHBondContact O-N 2.9Å; K147-E150 PolarHBondContact O-N 3.43Å; K147-D151 IonicContact NZ-OD1 3.54Å; K147-D151 PolarHBondContact NZ-OD1 2.71Å; K147-D151 VanDerWaalsContact NZ-OD1 3.15Å; K147-D151 IonicContact NZ-OD2 3.79Å; K147-D151 PolarHBondContact NZ-OD2 3.18Å; K147-D151 WeakPolarHBondContact O-CB 3.33Å; K147-D151 PolarHBondContact O-N 3.02Å
148A98.3Very high97.1Very high16 Ų1662.8 Ų62.813%0.13232%0.321CS..Hα-helixtrans-61.2-36.3-179.100000112.3Y144 L145 A146 A193 V194 M197Y144-A148 PolarHBondContact O-N 3.42Å; Y144-A148 VanDerWaalsContact O-N 3.09Å; L145-A148 PolarHBondContact O-N 3.11Å; A146-A148 PolarHBondContact O-N 3.32Å; A148-A193 WeakPolarHBondContact O-CB 3.46Å; A148-V194 HydrophobicContact CB-CG2 4.07Å; A148-M197 HydrophobicContact CB-CB 4.02Å; A148-M197 HydrophobicContact CB-CE 4.07Å; A148-M197 HydrophobicContact CB-CG 4.12Å
149F98.6Very high97.2Very high1 Ų164.4 Ų64.40%0.00433%0.325CS..Hα-helixtrans-69.7-49.8176.7-168.4-84.8000112.2L145 A146 K147 T152 A156 L158 A176 G190 V191 V194L145-F149 WeakPolarHBondContact O-CB 3.44Å; L145-F149 PolarHBondContact O-N 2.81Å; A146-F149 PolarHBondContact O-N 3.3Å; K147-F149 VanDerWaalsContact C-N 3.26Å; K147-F149 PolarHBondContact O-N 2.9Å; F149-T152 WeakPolarHBondContact O-CB 3.27Å; F149-T152 WeakPolarHBondContact O-CG2 3.47Å; F149-T152 PolarHBondContact O-N 2.95Å; F149-T152 PolarHBondContact O-OG1 2.85Å; F149-A156 HydrophobicContact CD1-CB 4.06Å; F149-A156 HydrophobicContact CE1-CB 3.76Å; F149-L158 HydrophobicContact CB-CB 4.21Å; F149-L158 HydrophobicContact CB-CD2 4.32Å; F149-L158 HydrophobicContact CD1-CB 4.05Å; F149-L158 HydrophobicContact CD1-CD1 4.46Å; F149-L158 HydrophobicContact CD2-CD1 4Å; F149-L158 HydrophobicContact CE2-CD1 4.18Å; F149-L158 HydrophobicContact CG-CB 4.13Å; F149-L158 HydrophobicContact CG-CD1 4.15Å; F149-L158 HydrophobicContact CZ-CD1 4.48Å; F149-A176 HydrophobicContact CD1-CB 4.44Å; F149-A176 HydrophobicContact CE1-CB 3.4Å; F149-A176 HydrophobicContact CZ-CB 3.48Å; F149-A176 VanDerWaalsContact CZ-CB 3.48Å; F149-G190 VanDerWaalsContact CD2-CA 3.47Å; F149-G190 WeakPolarHBondContact CD2-O 3.48Å; F149-G190 VanDerWaalsContact CE2-C 3.5Å; F149-V191 HydrophobicContact CE2-CG2 3.96Å; F149-V194 HydrophobicContact CB-CG2 3.67Å; F149-V194 HydrophobicContact CD2-CG2 4.09Å; F149-V194 HydrophobicContact CG-CG2 4.41Å
150E98.4Very high97.3Very high69 Ų6962.1 Ų62.132%0.32231%0.306SS..Hα-helixtrans-74.5-27.5-171.8-65.9-178.2-17200112.6A146 K147 T152 S153 A156 K157 L158A146-E150 VanDerWaalsContact O-CB 3.25Å; A146-E150 WeakPolarHBondContact O-CB 3.49Å; A146-E150 WeakPolarHBondContact O-CG 3.11Å; A146-E150 PolarHBondContact O-N 3.4Å; K147-E150 PolarHBondContact O-N 3.43Å; E150-T152 PolarHBondContact O-N 2.75Å; E150-S153 CarbonylContact O-C 3.52Å; E150-S153 PolarHBondContact O-N 2.93Å; E150-S153 VanDerWaalsContact O-N 3.16Å; E150-A156 WeakPolarHBondContact CG-O 3.37Å; E150-K157 VanDerWaalsContact OE1-CA 3.32Å; E150-K157 WeakPolarHBondContact OE1-CA 3.44Å; E150-L158 PolarHBondContact OE1-N 2.95Å
151D98.1Very high97.3Very high113 Ų11360 Ų6060%0.60429%0.287SS*.THydrogen-bonded Turntrans-60.6-15.7172.8-73.9-14.6000112.2K147K147-D151 IonicContact NZ-OD1 3.54Å; K147-D151 PolarHBondContact NZ-OD1 2.71Å; K147-D151 VanDerWaalsContact NZ-OD1 3.15Å; K147-D151 IonicContact NZ-OD2 3.79Å; K147-D151 PolarHBondContact NZ-OD2 3.18Å; K147-D151 WeakPolarHBondContact O-CB 3.33Å; K147-D151 PolarHBondContact O-N 3.02Å
152T97.9Very high97.3Very high25 Ų2562.3 Ų62.315%0.15330%0.297CS..THydrogen-bonded Turntrans-82.6-18.9178.972.10000114.9F149 E150 K189 A193F149-T152 WeakPolarHBondContact O-CB 3.27Å; F149-T152 WeakPolarHBondContact O-CG2 3.47Å; F149-T152 PolarHBondContact O-N 2.95Å; F149-T152 PolarHBondContact O-OG1 2.85Å; E150-T152 PolarHBondContact O-N 2.75Å; T152-K189 HydrophobicContact CG2-CG 4.4Å; T152-K189 PolarHBondContact O-NZ 3.21Å; T152-A193 HydrophobicContact CG2-CB 3.4Å; T152-A193 VanDerWaalsContact CG2-CB 3.4Å
153S96.4Very high97.3Very high26 Ų2659.4 Ų59.418%0.18229%0.285CS..  trans-164.4133-174.7172.40000112.6E150 F155 A156 M186E150-S153 CarbonylContact O-C 3.52Å; E150-S153 PolarHBondContact O-N 2.93Å; E150-S153 VanDerWaalsContact O-N 3.16Å; S153-F155 PolarHBondContact O-N 2.87Å; S153-F155 VanDerWaalsContact O-N 3.13Å; S153-F155 PolarHBondContact OG-N 2.93Å; S153-A156 PolarHBondContact O-N 2.81Å; S153-M186 PolarHBondContact OG-SD 3Å; S153-M186 VanDerWaalsContact OG-SD 3.36Å
154R94.9Very high97.3Very high217 Ų21757.3 Ų57.382%0.81927%0.272SS*.THydrogen-bonded Turntrans-62.2-1917569.9178.9-176.3-99.73.9115.3
155F94.7Very high97.4Very high53 Ų5354 Ų5423%0.23226%0.262CS..THydrogen-bonded Turntrans-101.3-17.6-178-60.5-64.8000113.1S153 M186 P357S153-F155 PolarHBondContact O-N 2.87Å; S153-F155 VanDerWaalsContact O-N 3.13Å; S153-F155 PolarHBondContact OG-N 2.93Å; F155-M186 HydrophobicContact CB-CE 3.87Å; F155-M186 HydrophobicContact CB-SD 3.98Å; F155-M186 HydrophobicContact CD2-CE 4.26Å; F155-P357 HydrophobicContact CD1-CB 4.25Å
156A95.5Very high97.4Very high3 Ų358.2 Ų58.23%0.02529%0.288CS..  trans-73.5129.8178.700000108.9F149 E150 S153 S177 M186F149-A156 HydrophobicContact CD1-CB 4.06Å; F149-A156 HydrophobicContact CE1-CB 3.76Å; E150-A156 WeakPolarHBondContact CG-O 3.37Å; S153-A156 PolarHBondContact O-N 2.81Å; A156-S177 WeakPolarHBondContact CA-O 3.08Å; A156-M186 HydrophobicContact CB-CG 4.07Å; A156-M186 HydrophobicContact CB-SD 3.9Å
157K97.5Very high97.4Very high115 Ų11560 Ų6050%0.531%0.308SS..EExtended strand (participates in β ladder)trans-132.4119.5164-60.1-172.6173.2-173.90109.8E150 A176 S177E150-K157 VanDerWaalsContact OE1-CA 3.32Å; E150-K157 WeakPolarHBondContact OE1-CA 3.44Å; K157-A176 CarbonylContact O-C 3.57Å; K157-A176 WeakPolarHBondContact O-CA 3.44Å; K157-A176 VanDerWaalsContact O-CB 3.26Å; K157-A176 WeakPolarHBondContact O-CB 3.43Å; K157-S177 WeakPolarHBondContact CB-OG 3.46Å; K157-S177 PolarHBondContact N-O 3.45Å; K157-S177 PolarHBondContact O-N 2.74Å
158L98.3Very high97.4Very high7 Ų759 Ų594%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-70.8131.9179.2-172.266.9000108.7F142 L145 A146 F149 E150 V161 F174F142-L158 HydrophobicContact CE2-CD2 4.21Å; F142-L158 HydrophobicContact CE2-CG 4.28Å; F142-L158 HydrophobicContact CZ-CB 4.42Å; F142-L158 HydrophobicContact CZ-CD2 4.22Å; F142-L158 HydrophobicContact CZ-CG 4.03Å; L145-L158 HydrophobicContact CB-CD2 3.86Å; A146-L158 HydrophobicContact CB-CB 4.27Å; A146-L158 HydrophobicContact CB-CD2 4.39Å; F149-L158 HydrophobicContact CB-CB 4.21Å; F149-L158 HydrophobicContact CB-CD2 4.32Å; F149-L158 HydrophobicContact CD1-CB 4.05Å; F149-L158 HydrophobicContact CD1-CD1 4.46Å; F149-L158 HydrophobicContact CD2-CD1 4Å; F149-L158 HydrophobicContact CE2-CD1 4.18Å; F149-L158 HydrophobicContact CG-CB 4.13Å; F149-L158 HydrophobicContact CG-CD1 4.15Å; F149-L158 HydrophobicContact CZ-CD1 4.48Å; E150-L158 PolarHBondContact OE1-N 2.95Å; L158-V161 HydrophobicContact CD1-CG2 4.34Å; L158-V161 HydrophobicContact CD2-CG2 3.92Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; L158-F174 HydrophobicContact CD1-CB 4.24Å; L158-F174 HydrophobicContact CD1-CD1 4Å
159K97Very high97.4Very high110 Ų11061.8 Ų61.848%0.47831%0.309SS..EExtended strand (participates in β ladder)trans-116-43.8-175.6-61.8-58.4-174.3179.30112.2G175K159-G175 WeakPolarHBondContact CA-O 3.42Å; K159-G175 PolarHBondContact N-O 2.87Å
160T96.7Very high97.4Very high58 Ų5861.7 Ų61.736%0.35631%0.309SS..EExtended strand (participates in β ladder)trans-142.7148.2-173.958.60000111F174 G175T160-F174 WeakPolarHBondContact O-CA 3.29Å; T160-G175 PolarHBondContact N-O 2.78Å; T160-G175 VanDerWaalsContact N-O 3.1Å; T160-G175 PolarHBondContact O-N 3.21Å
161V97.7Very high97.4Very high18 Ų1860.8 Ų60.811%0.10930%0.304CS..EExtended strand (participates in β ladder)trans-136.8122169.7-177.60000106.3L136 F142 L145 L158 I172 R173 F174L136-V161 HydrophobicContact CD2-CG1 4.13Å; F142-V161 HydrophobicContact CE2-CG2 4.17Å; L145-V161 HydrophobicContact CD1-CG2 4.11Å; L158-V161 HydrophobicContact CD1-CG2 4.34Å; L158-V161 HydrophobicContact CD2-CG2 3.92Å; L158-V161 HydrophobicContact CG-CG2 4.37Å; V161-I172 HydrophobicContact CG1-CG2 3.63Å; V161-R173 WeakPolarHBondContact CA-O 3.4Å; V161-F174 HydrophobicContact CG1-CD1 4.26Å; V161-F174 HydrophobicContact CG1-CE1 3.99Å; V161-F174 HydrophobicContact CG1-CZ 4.46Å; V161-F174 HydrophobicContact CG2-CD1 3.66Å; V161-F174 HydrophobicContact CG2-CE1 3.86Å
162Q96.3Very high97.5Very high69 Ų6955.4 Ų55.432%0.32228%0.275SS..EExtended strand (participates in β ladder)trans-129.2132.1179.1-65.3175.8-12.300109.6I172 R173Q162-I172 CarbonylContact O-C 3.52Å; Q162-I172 WeakPolarHBondContact O-CA 3.5Å; Q162-R173 HydrophobicContact CB-CB 4.38Å; Q162-R173 PolarHBondContact N-O 3.48Å; Q162-R173 PolarHBondContact O-N 3.31Å
163V98.1Very high97.5Very high8 Ų854.6 Ų54.65%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-115.2126.6-176.2-172.80000110.7K133 L136 E137 L165 A170 F171 I172K133-V163 HydrophobicContact CB-CB 4.23Å; K133-V163 HydrophobicContact CB-CG1 3.91Å; K133-V163 HydrophobicContact CD-CB 4.24Å; K133-V163 HydrophobicContact CD-CG1 4.29Å; K133-V163 HydrophobicContact CG-CB 3.96Å; K133-V163 HydrophobicContact CG-CG1 4.13Å; K133-V163 PolarHBondContact NZ-O 3.05Å; L136-V163 HydrophobicContact CB-CG2 3.98Å; L136-V163 HydrophobicContact CD1-CG2 3.72Å; E137-V163 HydrophobicContact CG-CG2 4.32Å; E137-V163 PolarHBondContact OE1-N 3.34Å; V163-L165 HydrophobicContact CG1-CD2 4.11Å; V163-A170 HydrophobicContact CG1-CB 3.99Å; V163-F171 CarbonylContact C-O 3.59Å; V163-F171 WeakPolarHBondContact CA-O 3.44Å; V163-I172 HydrophobicContact CG2-CG1 4.41Å; V163-I172 HydrophobicContact CG2-CG2 4.11Å
164A98.3Very high97.6Very high28 Ų2853.5 Ų53.523%0.23126%0.262CS..EExtended strand (participates in β ladder)trans-106.8133.2165.300000110F171 Y215A164-F171 HydrophobicContact CB-CB 4.45Å; A164-F171 PolarHBondContact N-O 3.36Å; A164-F171 PolarHBondContact O-N 3.25Å; A164-Y215 HydrophobicContact CB-CE1 4.02Å; A164-Y215 HydrophobicContact CB-CE2 4.19Å; A164-Y215 WeakPolarHBondContact CB-OH 2.97Å
165L98.3Very high97.7Very high59 Ų5943.2 Ų43.231%0.30922%0.223SC..EExtended strand (participates in β ladder)trans-101.5139176.4-63.9-178000110.9A129 A130 K133 V163 F169 A170A129-L165 HydrophobicContact CB-CD2 4.05Å; A130-L165 HydrophobicContact CB-CD1 4.33Å; K133-L165 HydrophobicContact CB-CD1 4.03Å; K133-L165 HydrophobicContact CB-CD2 4.23Å; K133-L165 HydrophobicContact CB-CG 4.22Å; K133-L165 HydrophobicContact CD-CD1 3.9Å; K133-L165 HydrophobicContact CD-CG 3.84Å; V163-L165 HydrophobicContact CG1-CD2 4.11Å; L165-F169 WeakPolarHBondContact CA-O 3.43Å; L165-A170 HydrophobicContact CD2-CB 3.56Å
166V98.3Very high97.9Very high90 Ų9040.7 Ų40.755%0.54521%0.212SC..EExtended strand (participates in β ladder)trans-133.7100.2167.4-175.60000107.4R168 F169 F171V166-R168 PolarHBondContact O-N 2.94Å; V166-F169 PolarHBondContact N-O 3.08Å; V166-F169 WeakPolarHBondContact O-CB 3.33Å; V166-F169 VanDerWaalsContact O-CD2 3.31Å; V166-F169 WeakPolarHBondContact O-CD2 3.39Å; V166-F169 PolarHBondContact O-N 3.4Å; V166-F171 HydrophobicContact CB-CE2 4.03Å; V166-F171 HydrophobicContact CG2-CD2 4.14Å; V166-F171 HydrophobicContact CG2-CE2 3.81Å
167G98Very high98Very high48 Ų4841.6 Ų41.650%0.49522%0.218SC..THydrogen-bonded Turntrans58-123.1-172.700000111.8F169G167-F169 VanDerWaalsContact C-N 3.3Å
168R98.2Very high98Very high107 Ų10736.1 Ų36.140%0.40419%0.194SC..THydrogen-bonded Turntrans-851.5178.183-173.9-163.5107.1-0114.1F123 V166F123-R168 PolarHBondContact N-O 3.44Å; F123-R168 VanDerWaalsContact O-CB 3.31Å; F123-R168 WeakPolarHBondContact O-CB 3.07Å; F123-R168 WeakPolarHBondContact O-CD 3.48Å; F123-R168 VanDerWaalsContact O-CG 3.25Å; F123-R168 WeakPolarHBondContact O-CG 3.39Å; F123-R168 PolarHBondContact O-NH1 2.99Å; V166-R168 PolarHBondContact O-N 2.94Å
169F98.8Very high97.9Very high73 Ų7336.1 Ų36.132%0.3220%0.195SC..EExtended strand (participates in β ladder)trans-98.8139.8-178.1-54.4-73000110.9V120 V121 L165 V166 G167 F171 I209V120-F169 HydrophobicContact CG2-CB 4.32Å; V121-F169 WeakPolarHBondContact O-CA 3.48Å; L165-F169 WeakPolarHBondContact CA-O 3.43Å; V166-F169 PolarHBondContact N-O 3.08Å; V166-F169 WeakPolarHBondContact O-CB 3.33Å; V166-F169 VanDerWaalsContact O-CD2 3.31Å; V166-F169 WeakPolarHBondContact O-CD2 3.39Å; V166-F169 PolarHBondContact O-N 3.4Å; G167-F169 VanDerWaalsContact C-N 3.3Å; F169-F171 HydrophobicContact CB-CE2 4.1Å; F169-I209 HydrophobicContact CD1-CD1 3.6Å; F169-I209 HydrophobicContact CE1-CD1 3.44Å; F169-I209 VanDerWaalsContact CE1-CD1 3.44Å
170A98.7Very high98Very high0 Ų031.1 Ų31.10%017%0.174CC..EExtended strand (participates in β ladder)trans-118.2123.1171.900000109.9V120 V121 F123 F132 V163 L165V120-A170 WeakPolarHBondContact CA-O 3.25Å; V121-A170 HydrophobicContact CG2-CB 3.81Å; V121-A170 PolarHBondContact N-O 3.37Å; V121-A170 PolarHBondContact O-N 3.28Å; F123-A170 HydrophobicContact CE2-CB 4.11Å; F132-A170 HydrophobicContact CD1-CB 3.87Å; F132-A170 HydrophobicContact CE1-CB 3.91Å; V163-A170 HydrophobicContact CG1-CB 3.99Å; L165-A170 HydrophobicContact CD2-CB 3.56Å
171F98.7Very high98Very high49 Ų4929.1 Ų29.122%0.21516%0.164CC..EExtended strand (participates in β ladder)trans-99.1114.9172.5-63.7-97.7000107.8P119 V120 V163 A164 V166 F169 G213 Y215P119-F171 WeakPolarHBondContact O-CA 3.23Å; V120-F171 HydrophobicContact CB-CD1 3.88Å; V120-F171 HydrophobicContact CB-CE1 3.84Å; V120-F171 HydrophobicContact CB-CZ 4.45Å; V120-F171 HydrophobicContact CG2-CD1 4.03Å; V120-F171 HydrophobicContact CG2-CE1 3.72Å; V120-F171 HydrophobicContact CG2-CE2 4.21Å; V120-F171 HydrophobicContact CG2-CG 4.41Å; V120-F171 HydrophobicContact CG2-CZ 3.82Å; V163-F171 CarbonylContact C-O 3.59Å; V163-F171 WeakPolarHBondContact CA-O 3.44Å; A164-F171 HydrophobicContact CB-CB 4.45Å; A164-F171 PolarHBondContact N-O 3.36Å; A164-F171 PolarHBondContact O-N 3.25Å; V166-F171 HydrophobicContact CB-CE2 4.03Å; V166-F171 HydrophobicContact CG2-CD2 4.14Å; V166-F171 HydrophobicContact CG2-CE2 3.81Å; F169-F171 HydrophobicContact CB-CE2 4.1Å; F171-G213 WeakPolarHBondContact CE1-O 3.38Å; F171-Y215 HydrophobicContact CB-CD1 3.68Å; F171-Y215 HydrophobicContact CB-CD2 4.32Å; F171-Y215 HydrophobicContact CB-CE1 4.27Å; F171-Y215 HydrophobicContact CB-CG 3.74Å
172I98.7Very high98.1Very high0 Ų029.9 Ų29.90%017%0.166CC..EExtended strand (participates in β ladder)trans-111.1120.8-171.4-45.6154.2000107.3G118 P119 V121 F132 L136 V161 Q162 V163 F174 L195G118-I172 CarbonylContact C-O 3.5Å; G118-I172 WeakPolarHBondContact CA-O 3.31Å; P119-I172 WeakPolarHBondContact CD-O 3.42Å; P119-I172 HydrophobicContact CG-CB 4.16Å; P119-I172 HydrophobicContact CG-CD1 4.32Å; P119-I172 PolarHBondContact O-N 2.96Å; V121-I172 HydrophobicContact CG1-CD1 4.15Å; V121-I172 HydrophobicContact CG2-CD1 4.04Å; F132-I172 HydrophobicContact CE1-CD1 3.64Å; F132-I172 HydrophobicContact CE1-CG1 4.02Å; F132-I172 HydrophobicContact CZ-CD1 3.66Å; F132-I172 HydrophobicContact CZ-CG1 4.47Å; L136-I172 HydrophobicContact CD1-CD1 4.17Å; L136-I172 HydrophobicContact CD1-CG1 4.2Å; L136-I172 HydrophobicContact CD1-CG2 4.3Å; V161-I172 HydrophobicContact CG1-CG2 3.63Å; Q162-I172 CarbonylContact O-C 3.52Å; Q162-I172 WeakPolarHBondContact O-CA 3.5Å; V163-I172 HydrophobicContact CG2-CG1 4.41Å; V163-I172 HydrophobicContact CG2-CG2 4.11Å; I172-F174 HydrophobicContact CB-CD2 4.25Å; I172-F174 HydrophobicContact CB-CE2 3.68Å; I172-F174 HydrophobicContact CB-CZ 4.3Å; I172-F174 HydrophobicContact CD1-CE2 4.22Å; I172-F174 HydrophobicContact CD1-CZ 4.47Å; I172-F174 HydrophobicContact CG2-CD2 3.79Å; I172-F174 HydrophobicContact CG2-CE1 4.19Å; I172-F174 HydrophobicContact CG2-CE2 3.25Å; I172-F174 HydrophobicContact CG2-CG 4.48Å; I172-F174 HydrophobicContact CG2-CZ 3.48Å; I172-F174 VanDerWaalsContact CG2-CZ 3.48Å; I172-L195 HydrophobicContact CD1-CD2 4.08Å
173R98.5Very high98.1Very high9 Ų927 Ų273%0.03416%0.155CC..EExtended strand (participates in β ladder)trans-100.399.2177.1-167.5172.5-167.7-119.21.4109T116 V161 Q162 Y215 C216 N225 G229T116-R173 HydrophobicContact CG2-CG 4.47Å; V161-R173 WeakPolarHBondContact CA-O 3.4Å; Q162-R173 HydrophobicContact CB-CB 4.38Å; Q162-R173 PolarHBondContact N-O 3.48Å; Q162-R173 PolarHBondContact O-N 3.31Å; R173-Y215 HydrophobicContact CB-CD1 3.74Å; R173-Y215 HydrophobicContact CB-CE1 3.79Å; R173-Y215 WeakPolarHBondContact CD-O 3.49Å; R173-C216 VanDerWaalsContact CZ-O 3.32Å; R173-C216 PolarHBondContact NE-O 3.27Å; R173-C216 PolarHBondContact NH2-O 3Å; R173-N225 PolarHBondContact NH2-OD1 3.4Å; R173-G229 PolarHBondContact NH2-O 2.99Å
174F98.5Very high97.9Very high3 Ų327.3 Ų27.31%0.01316%0.156CC..EExtended strand (participates in β ladder)trans-82.5130.5170.9-64.2-90.3000108.9T116 R117 P119 L158 T160 V161 I172 V191 V194T116-F174 CarbonylContact C-O 3.5Å; T116-F174 WeakPolarHBondContact CA-O 3.49Å; T116-F174 WeakPolarHBondContact CB-O 3.38Å; R117-F174 PolarHBondContact N-O 3.07Å; R117-F174 PolarHBondContact O-N 3.07Å; P119-F174 HydrophobicContact CG-CD2 3.98Å; P119-F174 HydrophobicContact CG-CE2 3.69Å; L158-F174 HydrophobicContact CD1-CB 4.24Å; L158-F174 HydrophobicContact CD1-CD1 4Å; T160-F174 WeakPolarHBondContact O-CA 3.29Å; V161-F174 HydrophobicContact CG1-CD1 4.26Å; V161-F174 HydrophobicContact CG1-CE1 3.99Å; V161-F174 HydrophobicContact CG1-CZ 4.46Å; V161-F174 HydrophobicContact CG2-CD1 3.66Å; V161-F174 HydrophobicContact CG2-CE1 3.86Å; I172-F174 HydrophobicContact CB-CD2 4.25Å; I172-F174 HydrophobicContact CB-CE2 3.68Å; I172-F174 HydrophobicContact CB-CZ 4.3Å; I172-F174 HydrophobicContact CD1-CE2 4.22Å; I172-F174 HydrophobicContact CD1-CZ 4.47Å; I172-F174 HydrophobicContact CG2-CD2 3.79Å; I172-F174 HydrophobicContact CG2-CE1 4.19Å; I172-F174 HydrophobicContact CG2-CE2 3.25Å; I172-F174 HydrophobicContact CG2-CG 4.48Å; I172-F174 HydrophobicContact CG2-CZ 3.48Å; I172-F174 VanDerWaalsContact CG2-CZ 3.48Å; F174-V191 HydrophobicContact CB-CG2 3.63Å; F174-V191 HydrophobicContact CD1-CG2 4.4Å; F174-V191 HydrophobicContact CD2-CB 4.35Å; F174-V191 HydrophobicContact CD2-CG1 3.98Å; F174-V191 HydrophobicContact CD2-CG2 3.47Å; F174-V191 VanDerWaalsContact CD2-CG2 3.47Å; F174-V191 HydrophobicContact CE2-CG1 3.99Å; F174-V191 HydrophobicContact CE2-CG2 4.2Å; F174-V191 HydrophobicContact CG-CG2 3.58Å; F174-V194 HydrophobicContact CE1-CB 4.44Å; F174-V194 HydrophobicContact CE1-CG1 3.78Å; F174-V194 HydrophobicContact CZ-CG1 3.9Å
175G98Very high97.7Very high0 Ų032.7 Ų32.70%018%0.181CC..EExtended strand (participates in β ladder)trans-119.3130.6173.300000110.9C114 M115 K159 T160C114-G175 WeakPolarHBondContact SG-CA 3.39Å; M115-G175 WeakPolarHBondContact O-CA 3.13Å; K159-G175 WeakPolarHBondContact CA-O 3.42Å; K159-G175 PolarHBondContact N-O 2.87Å; T160-G175 PolarHBondContact N-O 2.78Å; T160-G175 VanDerWaalsContact N-O 3.1Å; T160-G175 PolarHBondContact O-N 3.21Å
176A98.1Very high97.6Very high1 Ų131.6 Ų31.61%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-142.4149.5-178.700000112.5C114 M115 F149 K157C114-A176 CarbonylContact C-O 3.52Å; C114-A176 WeakPolarHBondContact CA-O 3.34Å; C114-A176 PolarHBondContact SG-N 2.75Å; M115-A176 PolarHBondContact N-O 3.21Å; M115-A176 PolarHBondContact O-N 3.16Å; F149-A176 HydrophobicContact CD1-CB 4.44Å; F149-A176 HydrophobicContact CE1-CB 3.4Å; F149-A176 HydrophobicContact CZ-CB 3.48Å; F149-A176 VanDerWaalsContact CZ-CB 3.48Å; K157-A176 CarbonylContact O-C 3.57Å; K157-A176 WeakPolarHBondContact O-CA 3.44Å; K157-A176 VanDerWaalsContact O-CB 3.26Å; K157-A176 WeakPolarHBondContact O-CB 3.43Å
177S97.3Very high97.6Very high21 Ų2127.4 Ų27.415%0.14715%0.149CC..EExtended strand (participates in β ladder)trans-79.4144.3165620000109.8A156 K157A156-S177 WeakPolarHBondContact CA-O 3.08Å; K157-S177 WeakPolarHBondContact CB-OG 3.46Å; K157-S177 PolarHBondContact N-O 3.45Å; K157-S177 PolarHBondContact O-N 2.74Å
178T97.3Very high97.6Very high1 Ų126.3 Ų26.31%0.00613%0.134CC..  trans-128.822.8-16954.90000113.8M115 A181 M182 M186M115-T178 HydrophobicContact CB-CG2 4.02Å; T178-A181 PolarHBondContact O-N 3.49Å; T178-A181 PolarHBondContact OG1-O 2.95Å; T178-M182 PolarHBondContact OG1-O 2.59Å; T178-M186 HydrophobicContact CG2-SD 4.13Å
179G97Very high97.6Very high6 Ų626.8 Ų26.86%0.06214%0.139CC..THydrogen-bonded Turntrans60.3-136.7-172.900000111.2A181 R232 G358G179-A181 VanDerWaalsContact C-N 3.33Å; G179-R232 PolarHBondContact O-NH2 3.23Å; G179-G358 VanDerWaalsContact O-CA 3.22Å; G179-G358 WeakPolarHBondContact O-CA 3.46Å
180D98.3Very high97.5Very high5 Ų523.3 Ų23.33%0.02712%0.124CC..THydrogen-bonded Turntrans-85.1-5.7-179.1-69-66.4000113.4G329 T330 V331 C353 G358 K359 N360 A361D180-G329 CarbonylContact O-C 3.56Å; D180-G329 VanDerWaalsContact O-CA 3.29Å; D180-G329 WeakPolarHBondContact O-CA 3.34Å; D180-T330 WeakPolarHBondContact CB-OG1 3.35Å; D180-T330 PolarHBondContact O-N 2.87Å; D180-V331 HydrophobicContact CB-CG2 4.11Å; D180-V331 PolarHBondContact O-N 3.22Å; D180-C353 PolarHBondContact OD2-N 3.32Å; D180-G358 VanDerWaalsContact CG-CA 3.44Å; D180-G358 VanDerWaalsContact CG-N 3.26Å; D180-G358 WeakPolarHBondContact OD1-CA 3.35Å; D180-G358 PolarHBondContact OD1-N 3.47Å; D180-G358 PolarHBondContact OD2-N 3.23Å; D180-K359 PolarHBondContact OD1-N 3.36Å; D180-N360 WeakPolarHBondContact OD1-CA 3.16Å; D180-N360 WeakPolarHBondContact OD1-CB 3.22Å; D180-N360 PolarHBondContact OD1-N 3.3Å; D180-A361 HydrophobicContact CB-CB 4.49Å; D180-A361 PolarHBondContact OD1-N 2.87Å; D180-A361 VanDerWaalsContact OD1-N 3.15Å
181A97.9Very high97.5Very high17 Ų1723.3 Ų23.314%0.1412%0.124CC..BIsolated β-bridgetrans-76.3150.817300000110.1T178 G179 G183 M186 V331T178-A181 PolarHBondContact O-N 3.49Å; T178-A181 PolarHBondContact OG1-O 2.95Å; G179-A181 VanDerWaalsContact C-N 3.33Å; A181-G183 PolarHBondContact O-N 2.93Å; A181-M186 HydrophobicContact CB-CE 4.36Å; A181-V331 HydrophobicContact CB-CG2 3.87Å
182M98.1Very high97.5Very high34 Ų3425.3 Ų25.317%0.16713%0.134CC..  trans-58.9-36.1162.5-177.8-83.3-7400109.9M115 T178 M184 Q298 E327 V328M115-M182 HydrophobicContact CE-CG 3.94Å; M115-M182 WeakPolarHBondContact CE-O 3.09Å; M115-M182 HydrophobicContact CE-SD 3.52Å; M115-M182 VanDerWaalsContact CE-SD 3.52Å; M115-M182 WeakPolarHBondContact CG-O 3.5Å; M115-M182 HydrophobicContact SD-SD 4.23Å; T178-M182 PolarHBondContact OG1-O 2.59Å; M182-M184 HydrophobicContact CE-CB 3.47Å; M182-M184 VanDerWaalsContact CE-CB 3.47Å; M182-M184 HydrophobicContact CE-CG 4.4Å; M182-M184 HydrophobicContact SD-CB 3.61Å; M182-Q298 VanDerWaalsContact CE-NE2 3.26Å; M182-Q298 PolarHBondContact SD-NE2 3.34Å; M182-Q298 VanDerWaalsContact SD-NE2 3.35Å; M182-E327 HydrophobicContact CG-CB 4.41Å; M182-V328 VanDerWaalsContact CA-O 3.32Å; M182-V328 WeakPolarHBondContact CA-O 3.36Å
183G96.3Very high97.5Very high7 Ų726.5 Ų26.57%0.07214%0.144CC..  trans90.210.9158.500000115.6A181 N185 M186 A187A181-G183 PolarHBondContact O-N 2.93Å; G183-N185 PolarHBondContact O-N 3.49Å; G183-M186 PolarHBondContact O-N 2.96Å; G183-A187 WeakPolarHBondContact O-CB 3.34Å; G183-A187 PolarHBondContact O-N 3.36Å
184M94.4Very high97.5Very high16 Ų1626.1 Ų26.18%0.07914%0.142CC..Hα-helixtrans-60.9-43.2-178.1-171.376.1-68.300113.6M115 T116 R117 M182 A187 S188 D218 R230M115-M184 HydrophobicContact CG-CE 4.23Å; M115-M184 HydrophobicContact SD-CE 4.1Å; T116-M184 WeakPolarHBondContact O-CE 3.45Å; R117-M184 HydrophobicContact CB-CE 4.44Å; R117-M184 VanDerWaalsContact CZ-SD 3.51Å; R117-M184 PolarHBondContact NH2-O 3.5Å; R117-M184 PolarHBondContact NH2-SD 3.32Å; M182-M184 HydrophobicContact CE-CB 3.47Å; M182-M184 VanDerWaalsContact CE-CB 3.47Å; M182-M184 HydrophobicContact CE-CG 4.4Å; M182-M184 HydrophobicContact SD-CB 3.61Å; M184-A187 HydrophobicContact CE-CB 4.42Å; M184-S188 PolarHBondContact O-N 3.28Å; M184-S188 PolarHBondContact O-OG 3.27Å; M184-D218 HydrophobicContact SD-CB 4.24Å; M184-R230 PolarHBondContact SD-NH2 3.45Å
185N95.2Very high97.5Very high140 Ų14026.1 Ų26.175%0.74914%0.142SC*.Hα-helixtrans-70.3-39.3176-67.8-13.5000111.7G183 S188 K189G183-N185 PolarHBondContact O-N 3.49Å; N185-S188 PolarHBondContact O-N 3.16Å; N185-K189 PolarHBondContact O-N 2.97Å
186M96.2Very high97.5Very high36 Ų3630.5 Ų30.518%0.17716%0.163CC..Hα-helixtrans-61.5-45.8177.1-171.1-175.4-59.300111.1S153 F155 A156 T178 A181 G183 K189 G190S153-M186 PolarHBondContact OG-SD 3Å; S153-M186 VanDerWaalsContact OG-SD 3.36Å; F155-M186 HydrophobicContact CB-CE 3.87Å; F155-M186 HydrophobicContact CB-SD 3.98Å; F155-M186 HydrophobicContact CD2-CE 4.26Å; A156-M186 HydrophobicContact CB-CG 4.07Å; A156-M186 HydrophobicContact CB-SD 3.9Å; T178-M186 HydrophobicContact CG2-SD 4.13Å; A181-M186 HydrophobicContact CB-CE 4.36Å; G183-M186 PolarHBondContact O-N 2.96Å; M186-K189 PolarHBondContact O-N 2.96Å; M186-G190 PolarHBondContact O-N 3Å
187A97Very high97.5Very high2 Ų231.5 Ų31.52%0.01717%0.168CC..Hα-helixtrans-65.4-40.8176.700000112M115 R117 G183 M184 G190 V191M115-A187 HydrophobicContact CG-CB 4.45Å; R117-A187 HydrophobicContact CB-CB 4.2Å; G183-A187 WeakPolarHBondContact O-CB 3.34Å; G183-A187 PolarHBondContact O-N 3.36Å; M184-A187 HydrophobicContact CE-CB 4.42Å; A187-G190 PolarHBondContact O-N 3.36Å; A187-V191 WeakPolarHBondContact O-CG2 3.45Å; A187-V191 PolarHBondContact O-N 3.47Å
188S97.7Very high97.6Very high26 Ų2630.5 Ų30.518%0.18216%0.161CC..Hα-helixtrans-58.3-49.7175-65.60000112.3R117 M184 N185 G190 V191 E192R117-S188 VanDerWaalsContact CZ-OG 3.26Å; R117-S188 PolarHBondContact NE-OG 2.83Å; R117-S188 PolarHBondContact NH2-OG 3.5Å; M184-S188 PolarHBondContact O-N 3.28Å; M184-S188 PolarHBondContact O-OG 3.27Å; N185-S188 PolarHBondContact O-N 3.16Å; S188-G190 VanDerWaalsContact C-N 3.35Å; S188-G190 PolarHBondContact O-N 3.04Å; S188-V191 PolarHBondContact O-N 2.66Å; S188-E192 PolarHBondContact O-N 2.75Å
189K98.2Very high97.6Very high117 Ų11733.7 Ų33.751%0.50918%0.175SC..Hα-helixtrans-61.3-43.4180-172.1-173.7178.5-1660111.7T152 N185 M186 E192 A193T152-K189 HydrophobicContact CG2-CG 4.4Å; T152-K189 PolarHBondContact O-NZ 3.21Å; N185-K189 PolarHBondContact O-N 2.97Å; M186-K189 PolarHBondContact O-N 2.96Å; K189-E192 PolarHBondContact O-N 2.92Å; K189-A193 PolarHBondContact O-N 3.38Å; K189-A193 VanDerWaalsContact O-N 3.1Å
190G98.4Very high97.6Very high0 Ų041.6 Ų41.60%020%0.203CC..Hα-helixtrans-61.4-43.5175.500000112.5F149 M186 A187 S188 A193 V194F149-G190 VanDerWaalsContact CD2-CA 3.47Å; F149-G190 WeakPolarHBondContact CD2-O 3.48Å; F149-G190 VanDerWaalsContact CE2-C 3.5Å; M186-G190 PolarHBondContact O-N 3Å; A187-G190 PolarHBondContact O-N 3.36Å; S188-G190 VanDerWaalsContact C-N 3.35Å; S188-G190 PolarHBondContact O-N 3.04Å; G190-A193 PolarHBondContact O-N 2.77Å; G190-V194 WeakPolarHBondContact O-CG2 3.41Å; G190-V194 PolarHBondContact O-N 2.76Å; G190-V194 VanDerWaalsContact O-N 3.08Å
191V98.5Very high97.5Very high0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-63.8-43.1176.6167.80000111.8R117 P119 F149 F174 A187 S188 A193 V194 L195 L211R117-V191 HydrophobicContact CB-CG2 3.75Å; R117-V191 HydrophobicContact CG-CB 4.12Å; R117-V191 HydrophobicContact CG-CG1 4.32Å; R117-V191 HydrophobicContact CG-CG2 3.81Å; P119-V191 HydrophobicContact CB-CG1 4.24Å; P119-V191 HydrophobicContact CG-CG1 3.64Å; F149-V191 HydrophobicContact CE2-CG2 3.96Å; F174-V191 HydrophobicContact CB-CG2 3.63Å; F174-V191 HydrophobicContact CD1-CG2 4.4Å; F174-V191 HydrophobicContact CD2-CB 4.35Å; F174-V191 HydrophobicContact CD2-CG1 3.98Å; F174-V191 HydrophobicContact CD2-CG2 3.47Å; F174-V191 VanDerWaalsContact CD2-CG2 3.47Å; F174-V191 HydrophobicContact CE2-CG1 3.99Å; F174-V191 HydrophobicContact CE2-CG2 4.2Å; F174-V191 HydrophobicContact CG-CG2 3.58Å; A187-V191 WeakPolarHBondContact O-CG2 3.45Å; A187-V191 PolarHBondContact O-N 3.47Å; S188-V191 PolarHBondContact O-N 2.66Å; V191-A193 PolarHBondContact O-N 2.79Å; V191-V194 PolarHBondContact O-N 3.25Å; V191-L195 HydrophobicContact CG1-CD1 3.84Å; V191-L195 HydrophobicContact CG1-CG 4.18Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.27Å; V191-L195 PolarHBondContact O-N 2.82Å; V191-L211 HydrophobicContact CG1-CD2 4.16Å
192E98.4Very high97.4Very high91 Ų9148.4 Ų48.443%0.42524%0.235SC..Hα-helixtrans-57.4-48.4177.1-176.5171.4-118.200111.2S188 K189 V194 L195 E196 L211S188-E192 PolarHBondContact O-N 2.75Å; K189-E192 PolarHBondContact O-N 2.92Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.02Å; E192-L195 PolarHBondContact O-N 2.85Å; E192-L195 VanDerWaalsContact O-N 3.14Å; E192-E196 WeakPolarHBondContact O-CG 3.49Å; E192-E196 PolarHBondContact O-N 3.22Å; E192-L211 HydrophobicContact CB-CD1 4.34Å; E192-L211 HydrophobicContact CB-CD2 4.28Å
193A98.6Very high97.4Very high25 Ų2547.7 Ų47.721%0.20723%0.231CC..Hα-helixtrans-60.8-39.3176.800000113.1A148 T152 K189 G190 V191 M197A148-A193 WeakPolarHBondContact O-CB 3.46Å; T152-A193 HydrophobicContact CG2-CB 3.4Å; T152-A193 VanDerWaalsContact CG2-CB 3.4Å; K189-A193 PolarHBondContact O-N 3.38Å; K189-A193 VanDerWaalsContact O-N 3.1Å; G190-A193 PolarHBondContact O-N 2.77Å; V191-A193 PolarHBondContact O-N 2.79Å; A193-M197 WeakPolarHBondContact O-CB 3.2Å; A193-M197 PolarHBondContact O-N 2.78Å
194V98.6Very high97.4Very high0 Ų052.3 Ų52.30%026%0.26CS..Hα-helixtrans-63.8-45.3174.5171.70000111.1L145 A148 F149 F174 G190 V191 E192 M197 L198L145-V194 HydrophobicContact CD2-CG1 3.74Å; L145-V194 WeakPolarHBondContact O-CG2 3.43Å; A148-V194 HydrophobicContact CB-CG2 4.07Å; F149-V194 HydrophobicContact CB-CG2 3.67Å; F149-V194 HydrophobicContact CD2-CG2 4.09Å; F149-V194 HydrophobicContact CG-CG2 4.41Å; F174-V194 HydrophobicContact CE1-CB 4.44Å; F174-V194 HydrophobicContact CE1-CG1 3.78Å; F174-V194 HydrophobicContact CZ-CG1 3.9Å; G190-V194 WeakPolarHBondContact O-CG2 3.41Å; G190-V194 PolarHBondContact O-N 2.76Å; G190-V194 VanDerWaalsContact O-N 3.08Å; V191-V194 PolarHBondContact O-N 3.25Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.02Å; V194-M197 PolarHBondContact O-N 2.96Å; V194-L198 HydrophobicContact CG1-CD1 3.76Å; V194-L198 HydrophobicContact CG1-CG 4.3Å; V194-L198 WeakPolarHBondContact O-CB 3.41Å; V194-L198 VanDerWaalsContact O-CG 3.23Å; V194-L198 WeakPolarHBondContact O-CG 3.31Å; V194-L198 PolarHBondContact O-N 2.76Å
195L98.5Very high97.5Very high3 Ų355.4 Ų55.42%0.01628%0.275CS..Hα-helixtrans-64.8-41.8-179.9-68.6175000111.8P119 V121 I172 V191 E192 L198 Q199 V208 L211P119-L195 HydrophobicContact CB-CD1 3.98Å; P119-L195 HydrophobicContact CG-CD1 4.22Å; V121-L195 HydrophobicContact CG1-CD2 3.91Å; I172-L195 HydrophobicContact CD1-CD2 4.08Å; V191-L195 HydrophobicContact CG1-CD1 3.84Å; V191-L195 HydrophobicContact CG1-CG 4.18Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.27Å; V191-L195 PolarHBondContact O-N 2.82Å; E192-L195 PolarHBondContact O-N 2.85Å; E192-L195 VanDerWaalsContact O-N 3.14Å; L195-L198 HydrophobicContact CD2-CD1 4.41Å; L195-L198 PolarHBondContact O-N 3.36Å; L195-Q199 WeakPolarHBondContact O-CG 3.15Å; L195-Q199 PolarHBondContact O-N 3.05Å; L195-V208 HydrophobicContact CB-CG2 4.18Å; L195-V208 HydrophobicContact CD1-CG1 4.16Å; L195-V208 HydrophobicContact CD1-CG2 4Å; L195-L211 HydrophobicContact CD1-CD2 3.64Å
196E98.3Very high97.6Very high93 Ų9348.9 Ų48.944%0.43524%0.24SC..Hα-helixtrans-61.3-43.9174.1-73.5-176.5-177.800112.1E192 L198 Q199 R200E192-E196 WeakPolarHBondContact O-CG 3.49Å; E192-E196 PolarHBondContact O-N 3.22Å; E196-L198 VanDerWaalsContact C-N 3.35Å; E196-Q199 PolarHBondContact O-N 2.86Å; E196-R200 WeakPolarHBondContact O-CB 3.47Å; E196-R200 PolarHBondContact O-N 3.42Å; E196-R200 IonicContact OE2-NH2 3.15Å
197M98.1Very high97.7Very high21 Ų2150.9 Ų50.910%0.10326%0.255CS..Hα-helixtrans-61.3-44.9176.5179.7-78.4-6700111L145 A148 A193 V194 R200 N201L145-M197 HydrophobicContact CD2-CE 4.1Å; A148-M197 HydrophobicContact CB-CB 4.02Å; A148-M197 HydrophobicContact CB-CE 4.07Å; A148-M197 HydrophobicContact CB-CG 4.12Å; A193-M197 WeakPolarHBondContact O-CB 3.2Å; A193-M197 PolarHBondContact O-N 2.78Å; V194-M197 PolarHBondContact O-N 2.96Å; M197-R200 PolarHBondContact O-N 3.15Å; M197-N201 WeakPolarHBondContact O-CB 3.15Å; M197-N201 PolarHBondContact O-N 3.37Å
198L98.2Very high97.8Very high0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-60.8-47.5176.7-72.4166.5000111.3F132 W135 L136 L145 V194 L195 E196 R200 H202 F203 L206F132-L198 HydrophobicContact CE2-CD1 4.14Å; F132-L198 HydrophobicContact CZ-CD1 4.37Å; W135-L198 HydrophobicContact CE3-CD2 4.11Å; W135-L198 HydrophobicContact CH2-CD2 4.08Å; W135-L198 HydrophobicContact CZ3-CD2 3.48Å; W135-L198 VanDerWaalsContact CZ3-CD2 3.48Å; L136-L198 HydrophobicContact CD2-CD1 4.13Å; L145-L198 HydrophobicContact CD2-CD1 4.27Å; L145-L198 HydrophobicContact CD2-CD2 4.03Å; L145-L198 HydrophobicContact CD2-CG 4.36Å; V194-L198 HydrophobicContact CG1-CD1 3.76Å; V194-L198 HydrophobicContact CG1-CG 4.3Å; V194-L198 WeakPolarHBondContact O-CB 3.41Å; V194-L198 VanDerWaalsContact O-CG 3.23Å; V194-L198 WeakPolarHBondContact O-CG 3.31Å; V194-L198 PolarHBondContact O-N 2.76Å; L195-L198 HydrophobicContact CD2-CD1 4.41Å; L195-L198 PolarHBondContact O-N 3.36Å; E196-L198 VanDerWaalsContact C-N 3.35Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.87Å; L198-H202 PolarHBondContact O-N 2.94Å; L198-F203 HydrophobicContact CD2-CD2 4.18Å; L198-F203 HydrophobicContact CD2-CE2 4.46Å; L198-F203 PolarHBondContact O-N 2.69Å; L198-L206 HydrophobicContact CB-CD1 4.29Å
199Q97.5Very high97.8Very high68 Ų6856.2 Ų56.232%0.31828%0.281SS..Hα-helixtrans-59.2-42177.1-76.1-179.4-59.800112.1L195 E196 P204 L206L195-Q199 WeakPolarHBondContact O-CG 3.15Å; L195-Q199 PolarHBondContact O-N 3.05Å; E196-Q199 PolarHBondContact O-N 2.86Å; Q199-P204 WeakPolarHBondContact O-CA 3.31Å; Q199-L206 HydrophobicContact CG-CB 4.05Å; Q199-L206 HydrophobicContact CG-CD2 3.75Å; Q199-L206 HydrophobicContact CG-CG 4.34Å; Q199-L206 PolarHBondContact NE2-O 3.48Å
200R97.4Very high97.8Very high172 Ų17252.8 Ų52.865%0.64927%0.273SS*.Hα-helixtrans-72-41.1-176.4-166.6-179.6-59.41235.8113.1E196 M197 L198E196-R200 WeakPolarHBondContact O-CB 3.47Å; E196-R200 PolarHBondContact O-N 3.42Å; E196-R200 IonicContact OE2-NH2 3.15Å; M197-R200 PolarHBondContact O-N 3.15Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.87Å
201N96.6Very high97.8Very high98 Ų9855.3 Ų55.352%0.52429%0.286SS..Hα-helixtrans-110.8-26.7-162.9-61.6-17.3000114.5M197M197-N201 WeakPolarHBondContact O-CB 3.15Å; M197-N201 PolarHBondContact O-N 3.37Å
202H95.6Very high97.8Very high68 Ų6857.1 Ų57.132%0.31530%0.299SS..THydrogen-bonded Turntrans-130.4-38.4-167.3-60.7-70.6000113.8W135 L198W135-H202 AromaticContact CH2-CD2 3.71Å; W135-H202 AromaticContact CH2-CG 3.93Å; W135-H202 AromaticContact CH2-NE2 3.85Å; W135-H202 HydrophobicContact CZ2-CB 4.37Å; W135-H202 AromaticContact CZ2-CD2 3.81Å; W135-H202 AromaticContact CZ2-CE1 3.53Å; W135-H202 AromaticContact CZ2-CG 3.63Å; W135-H202 AromaticContact CZ2-ND1 3.45Å; W135-H202 WeakPolarHBondContact CZ2-ND1 3.46Å; W135-H202 AromaticContact CZ2-NE2 3.77Å; L198-H202 PolarHBondContact O-N 2.94Å
203F97.6Very high97.8Very high19 Ų1953.5 Ų53.58%0.08329%0.286CS..  trans-136.369.2-172.3-63.5-82000111.7F123 F132 W135 L198 M205 L206F123-F203 HydrophobicContact CE1-CD1 4.39Å; F132-F203 HydrophobicContact CB-CD1 4.25Å; F132-F203 HydrophobicContact CB-CE1 3.97Å; F132-F203 HydrophobicContact CB-CZ 4.36Å; F132-F203 HydrophobicContact CD2-CB 4.45Å; F132-F203 AromaticContact CD2-CD1 3.9Å; F132-F203 HydrophobicContact CD2-CD1 3.9Å; F132-F203 AromaticContact CD2-CD2 3.62Å; F132-F203 HydrophobicContact CD2-CD2 3.62Å; F132-F203 HydrophobicContact CD2-CE1 4.02Å; F132-F203 AromaticContact CD2-CE2 3.76Å; F132-F203 HydrophobicContact CD2-CE2 3.76Å; F132-F203 AromaticContact CD2-CG 3.71Å; F132-F203 HydrophobicContact CD2-CG 3.71Å; F132-F203 AromaticContact CD2-CZ 3.96Å; F132-F203 HydrophobicContact CD2-CZ 3.96Å; F132-F203 AromaticContact CE2-CD2 3.99Å; F132-F203 HydrophobicContact CE2-CD2 3.99Å; F132-F203 HydrophobicContact CE2-CE2 4.35Å; F132-F203 HydrophobicContact CE2-CG 4.27Å; W135-F203 HydrophobicContact CB-CE2 4.05Å; W135-F203 HydrophobicContact CB-CZ 3.58Å; W135-F203 AromaticContact CD2-CE2 3.68Å; W135-F203 HydrophobicContact CD2-CE2 3.68Å; W135-F203 HydrophobicContact CD2-CZ 4.08Å; W135-F203 AromaticContact CE3-CE2 3.8Å; W135-F203 HydrophobicContact CE3-CE2 3.8Å; W135-F203 AromaticContact CG-CE2 3.79Å; W135-F203 HydrophobicContact CG-CE2 3.79Å; W135-F203 AromaticContact CG-CZ 3.66Å; W135-F203 HydrophobicContact CG-CZ 3.66Å; L198-F203 HydrophobicContact CD2-CD2 4.18Å; L198-F203 HydrophobicContact CD2-CE2 4.46Å; L198-F203 PolarHBondContact O-N 2.69Å; F203-M205 VanDerWaalsContact C-SD 3.58Å; F203-M205 VanDerWaalsContact CA-SD 3.52Å; F203-M205 HydrophobicContact CB-SD 3.74Å; F203-M205 HydrophobicContact CD1-SD 3.88Å; F203-M205 HydrophobicContact CG-SD 4.32Å; F203-M205 PolarHBondContact O-N 3.16Å; F203-M205 VanDerWaalsContact O-N 3.07Å; F203-L206 HydrophobicContact CB-CB 3.99Å; F203-L206 HydrophobicContact CB-CD1 4.48Å; F203-L206 WeakPolarHBondContact O-CB 3.39Å; F203-L206 PolarHBondContact O-N 3.05Å
204P97.1Very high97.8Very high104 Ų10456.7 Ų56.768%0.67530%0.299SS*.THydrogen-bonded Turntrans-62.3-17.7179.725.9-35.1000114Q199Q199-P204 WeakPolarHBondContact O-CA 3.31Å
205M95.9Very high97.8Very high81 Ų8159.6 Ų59.640%0.39931%0.311SS..THydrogen-bonded Turntrans-82-9.4174.174.8-64.2-75.200113.9F123 F203 T207F123-M205 HydrophobicContact CD1-CG 3.88Å; F123-M205 HydrophobicContact CD1-SD 4.41Å; F123-M205 HydrophobicContact CE1-CG 4.32Å; F123-M205 HydrophobicContact CE1-SD 4.34Å; F203-M205 VanDerWaalsContact C-SD 3.58Å; F203-M205 VanDerWaalsContact CA-SD 3.52Å; F203-M205 HydrophobicContact CB-SD 3.74Å; F203-M205 HydrophobicContact CD1-SD 3.88Å; F203-M205 HydrophobicContact CG-SD 4.32Å; F203-M205 PolarHBondContact O-N 3.16Å; F203-M205 VanDerWaalsContact O-N 3.07Å; M205-T207 PolarHBondContact O-N 3.21Å
206L97.9Very high97.7Very high2 Ų259.5 Ų59.51%0.0131%0.31CS..  trans-65.1123.4179.7-177.6166.1000109.5V121 F123 F132 L198 Q199 F203 V208V121-L206 HydrophobicContact CB-CD2 3.92Å; V121-L206 HydrophobicContact CB-CG 4.01Å; V121-L206 HydrophobicContact CG1-CD1 4.43Å; V121-L206 HydrophobicContact CG1-CD2 3.76Å; V121-L206 HydrophobicContact CG1-CG 4.22Å; V121-L206 HydrophobicContact CG2-CD1 4.43Å; V121-L206 HydrophobicContact CG2-CG 4.25Å; F123-L206 HydrophobicContact CE1-CB 4Å; F123-L206 HydrophobicContact CE1-CG 4.38Å; F123-L206 HydrophobicContact CZ-CB 4.23Å; F123-L206 HydrophobicContact CZ-CD1 4.28Å; F123-L206 HydrophobicContact CZ-CG 4.1Å; F132-L206 HydrophobicContact CD2-CD1 4.35Å; F132-L206 HydrophobicContact CE2-CD1 3.47Å; F132-L206 VanDerWaalsContact CE2-CD1 3.47Å; F132-L206 HydrophobicContact CZ-CD1 3.57Å; L198-L206 HydrophobicContact CB-CD1 4.29Å; Q199-L206 HydrophobicContact CG-CB 4.05Å; Q199-L206 HydrophobicContact CG-CD2 3.75Å; Q199-L206 HydrophobicContact CG-CG 4.34Å; Q199-L206 PolarHBondContact NE2-O 3.48Å; F203-L206 HydrophobicContact CB-CB 3.99Å; F203-L206 HydrophobicContact CB-CD1 4.48Å; F203-L206 WeakPolarHBondContact O-CB 3.39Å; F203-L206 PolarHBondContact O-N 3.05Å; L206-V208 HydrophobicContact CD2-CG2 3.63Å
207T98.4Very high97.7Very high79 Ų7955.7 Ų55.749%0.48529%0.293SS..EExtended strand (participates in β ladder)trans-108.9117.5171.2-58.80000110V121 S122 M205 I209V121-T207 CarbonylContact C-O 3.49Å; V121-T207 VanDerWaalsContact CA-O 3.29Å; V121-T207 WeakPolarHBondContact CA-O 3.41Å; S122-T207 PolarHBondContact N-O 2.92Å; S122-T207 PolarHBondContact O-N 2.86Å; M205-T207 PolarHBondContact O-N 3.21Å; T207-I209 PolarHBondContact O-N 2.95Å
208V98.5Very high97.7Very high49 Ų4955.6 Ų55.630%0.29729%0.293SS..EExtended strand (participates in β ladder)trans-72.9115.6173.6-176.90000108.6V121 L195 L206V121-V208 HydrophobicContact CG1-CG2 4.36Å; L195-V208 HydrophobicContact CB-CG2 4.18Å; L195-V208 HydrophobicContact CD1-CG1 4.16Å; L195-V208 HydrophobicContact CD1-CG2 4Å; L206-V208 HydrophobicContact CD2-CG2 3.63Å
209I98.4Very high97.7Very high90 Ų9059.5 Ų59.546%0.46231%0.31SS..EExtended strand (participates in β ladder)trans-85-44.2175.5-69.3178.1000109.8V120 F169 T207V120-I209 HydrophobicContact CG1-CB 4.07Å; V120-I209 HydrophobicContact CG1-CG2 4.07Å; V120-I209 PolarHBondContact O-N 3.15Å; F169-I209 HydrophobicContact CD1-CD1 3.6Å; F169-I209 HydrophobicContact CE1-CD1 3.44Å; F169-I209 VanDerWaalsContact CE1-CD1 3.44Å; T207-I209 PolarHBondContact O-N 2.95Å
210S98.5Very high97.7Very high46 Ų4660.2 Ų60.232%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-159.2141.1176.7174.20000110.5P119 V120 S212P119-S210 CarbonylContact C-O 3.51Å; P119-S210 VanDerWaalsContact CA-O 3.26Å; P119-S210 WeakPolarHBondContact CA-O 3.44Å; P119-S210 WeakPolarHBondContact CB-O 3.47Å; V120-S210 PolarHBondContact N-O 2.72Å; V120-S210 PolarHBondContact O-N 2.96Å; S210-S212 PolarHBondContact O-N 2.73Å; S210-S212 VanDerWaalsContact OG-C 3.3Å; S210-S212 PolarHBondContact OG-N 3.32Å; S210-S212 PolarHBondContact OG-O 2.78Å; S210-S212 VanDerWaalsContact OG-O 3.07Å
211L97.8Very high97.6Very high52 Ų5255.7 Ų55.727%0.27231%0.307SS..SBendtrans-65.4-18.4169.6-71.8177.2000112.6R117 P119 V191 E192 L195R117-L211 WeakPolarHBondContact CD-O 3.14Å; P119-L211 VanDerWaalsContact CA-O 3.28Å; P119-L211 WeakPolarHBondContact CA-O 3.4Å; V191-L211 HydrophobicContact CG1-CD2 4.16Å; E192-L211 HydrophobicContact CB-CD1 4.34Å; E192-L211 HydrophobicContact CB-CD2 4.28Å; L195-L211 HydrophobicContact CD1-CD2 3.64Å
212S98.2Very high97.6Very high39 Ų3951.8 Ų51.827%0.27329%0.287SS..  trans-129.588.3175.5177.70000110.2S210 N214S210-S212 PolarHBondContact O-N 2.73Å; S210-S212 VanDerWaalsContact OG-C 3.3Å; S210-S212 PolarHBondContact OG-N 3.32Å; S210-S212 PolarHBondContact OG-O 2.78Å; S210-S212 VanDerWaalsContact OG-O 3.07Å; S212-N214 PolarHBondContact O-N 3.4Å
213G98.2Very high97.7Very high15 Ų1550.8 Ų50.816%0.15529%0.291CS..  trans-81.123.617200000114.3G118 V120 F171 Y215G118-G213 WeakPolarHBondContact O-CA 3.21Å; G118-G213 PolarHBondContact O-N 3.31Å; V120-G213 VanDerWaalsContact CG1-CA 3.49Å; F171-G213 WeakPolarHBondContact CE1-O 3.38Å; G213-Y215 PolarHBondContact O-N 2.79Å; G213-Y215 VanDerWaalsContact O-N 3.15Å
214N98.3Very high97.7Very high92 Ų9251.2 Ų51.249%0.49229%0.294SS..SBendtrans56.323.6-174.2-74.2-12.2000115S212 V217 K220S212-N214 PolarHBondContact O-N 3.4Å; N214-V217 VanDerWaalsContact O-CG2 3.25Å; N214-V217 WeakPolarHBondContact O-CG2 3.45Å; N214-K220 VanDerWaalsContact OD1-CE 3.29Å; N214-K220 WeakPolarHBondContact OD1-CE 3.39Å; N214-K220 PolarHBondContact OD1-NZ 2.96Å
215Y98.4Very high97.8Very high61 Ų6146.3 Ų46.324%0.23926%0.261CS..  trans-102.910.6175-159-123.4000112.9A164 F171 R173 G213 I224A164-Y215 HydrophobicContact CB-CE1 4.02Å; A164-Y215 HydrophobicContact CB-CE2 4.19Å; A164-Y215 WeakPolarHBondContact CB-OH 2.97Å; F171-Y215 HydrophobicContact CB-CD1 3.68Å; F171-Y215 HydrophobicContact CB-CD2 4.32Å; F171-Y215 HydrophobicContact CB-CE1 4.27Å; F171-Y215 HydrophobicContact CB-CG 3.74Å; R173-Y215 HydrophobicContact CB-CD1 3.74Å; R173-Y215 HydrophobicContact CB-CE1 3.79Å; R173-Y215 WeakPolarHBondContact CD-O 3.49Å; G213-Y215 PolarHBondContact O-N 2.79Å; G213-Y215 VanDerWaalsContact O-N 3.15Å; Y215-I224 HydrophobicContact CD2-CD1 4.14Å; Y215-I224 HydrophobicContact CE1-CD1 4.21Å; Y215-I224 HydrophobicContact CE2-CD1 3.51Å
216C97.6Very high97.9Very high0 Ų045.2 Ų45.20%025%0.253CS..SBendtrans-66.9-64.6176-29.70000112.1T116 G118 R173 D218 N225T116-C216 VanDerWaalsContact OG1-C 3.31Å; T116-C216 PolarHBondContact OG1-O 3.37Å; G118-C216 PolarHBondContact N-SG 3.47Å; R173-C216 VanDerWaalsContact CZ-O 3.32Å; R173-C216 PolarHBondContact NE-O 3.27Å; R173-C216 PolarHBondContact NH2-O 3Å; C216-D218 HydrophobicContact CB-CB 4.46Å; C216-N225 PolarHBondContact O-OD1 2.91Å
217V98.1Very high97.9Very high13 Ų1351.1 Ų51.18%0.07928%0.283CS..  cis-103.7131.8-1.3-176.10000110.6N214 K220 I224 N225 R230N214-V217 VanDerWaalsContact O-CG2 3.25Å; N214-V217 WeakPolarHBondContact O-CG2 3.45Å; V217-K220 HydrophobicContact CG1-CB 3.84Å; V217-K220 HydrophobicContact CG1-CD 4.14Å; V217-K220 HydrophobicContact CG1-CG 4.47Å; V217-I224 HydrophobicContact CG2-CG2 3.57Å; V217-N225 PolarHBondContact N-OD1 3.48Å; V217-N225 PolarHBondContact O-ND2 3.18Å; V217-R230 WeakPolarHBondContact O-CD 3.29Å; V217-R230 PolarHBondContact O-NH1 2.96Å; V217-R230 VanDerWaalsContact O-NH1 3.13Å
218D98.4Very high97.9Very high19 Ų1951.2 Ų51.210%0.10228%0.28CS..  trans-102126.3-177.6-172.454.4000111.4M184 C216 K220 R230 Q298M184-D218 HydrophobicContact SD-CB 4.24Å; C216-D218 HydrophobicContact CB-CB 4.46Å; D218-K220 VanDerWaalsContact C-N 3.27Å; D218-K220 WeakPolarHBondContact O-CD 3.34Å; D218-K220 PolarHBondContact O-N 3.16Å; D218-K220 PolarHBondContact O-NZ 3.43Å; D218-R230 IonicContact OD1-CZ 3.9Å; D218-R230 IonicContact OD1-NH1 2.66Å; D218-R230 PolarHBondContact OD1-NH1 3.12Å; D218-R230 IonicContact OD1-NH2 2.75Å; D218-R230 PolarHBondContact OD1-NH2 3.16Å; D218-Q298 PolarHBondContact OD1-NE2 3.1Å; D218-Q298 VanDerWaalsContact OD1-NE2 3.17Å
219K98.1Very high97.8Very high82 Ų8249.3 Ų49.336%0.35727%0.271SS..SBendtrans61.125.4173.9-56.4169.6-178.7-168.10115.4D295 A297 Q298K219-D295 WeakPolarHBondContact CE-OD2 3.25Å; K219-D295 IonicContact NZ-OD1 2.75Å; K219-D295 IonicContact NZ-OD2 2.73Å; K219-D295 PolarHBondContact NZ-OD2 2.91Å; K219-A297 HydrophobicContact CB-CB 4.48Å; K219-A297 HydrophobicContact CD-CB 3.71Å; K219-A297 HydrophobicContact CG-CB 3.94Å; K219-Q298 HydrophobicContact CG-CG 4.06Å
220K97.8Very high97.8Very high84 Ų8445.1 Ų45.137%0.36525%0.249SC..SBendtrans-134.8147.9169.2-59.875.3142.6-177.10109.2N214 V217 D218 S222N214-K220 VanDerWaalsContact OD1-CE 3.29Å; N214-K220 WeakPolarHBondContact OD1-CE 3.39Å; N214-K220 PolarHBondContact OD1-NZ 2.96Å; V217-K220 HydrophobicContact CG1-CB 3.84Å; V217-K220 HydrophobicContact CG1-CD 4.14Å; V217-K220 HydrophobicContact CG1-CG 4.47Å; D218-K220 VanDerWaalsContact C-N 3.27Å; D218-K220 WeakPolarHBondContact O-CD 3.34Å; D218-K220 PolarHBondContact O-N 3.16Å; D218-K220 PolarHBondContact O-NZ 3.43Å; K220-S222 PolarHBondContact O-N 3.34Å
221S93.8Very high97.8Very high77 Ų7743 Ų4354%0.53823%0.234SC..  trans-62.5131.4169.4-175.10000109.2V300S221-V300 VanDerWaalsContact N-CG1 3.33Å
222S96.7Very high97.9Very high15 Ų1540.5 Ų40.511%0.10522%0.221CC..  trans-149.2141.9-179.878.90000112.8K220 I224 N225 W226 Q304K220-S222 PolarHBondContact O-N 3.34Å; S222-I224 VanDerWaalsContact C-N 3.31Å; S222-N225 VanDerWaalsContact OG-CB 3.31Å; S222-N225 WeakPolarHBondContact OG-CB 3.24Å; S222-N225 PolarHBondContact OG-N 3.5Å; S222-N225 PolarHBondContact OG-ND2 2.79Å; S222-N225 PolarHBondContact OG-OD1 3.28Å; S222-W226 PolarHBondContact O-N 2.99Å; S222-Q304 PolarHBondContact O-NE2 2.84Å
223A98.1Very high97.9Very high48 Ų4839.3 Ų39.340%0.39721%0.213SC..Hα-helixtrans-68.6-30.617400000112.3W226 I227 V274A223-W226 WeakPolarHBondContact O-CB 3.49Å; A223-W226 PolarHBondContact O-N 3.04Å; A223-I227 HydrophobicContact CB-CD1 4.39Å; A223-I227 WeakPolarHBondContact O-CB 3.25Å; A223-I227 WeakPolarHBondContact O-CD1 3.14Å; A223-I227 VanDerWaalsContact O-CG1 3.24Å; A223-I227 WeakPolarHBondContact O-CG1 3.41Å; A223-I227 PolarHBondContact O-N 3.13Å; A223-V274 HydrophobicContact CB-CG1 3.97Å
224I98.1Very high97.9Very high28 Ų2838.6 Ų38.614%0.14421%0.206CC..Hα-helixtrans-68.9-37179.9-165.8170.4000112.1Y215 V217 S222 W226 L228Y215-I224 HydrophobicContact CD2-CD1 4.14Å; Y215-I224 HydrophobicContact CE1-CD1 4.21Å; Y215-I224 HydrophobicContact CE2-CD1 3.51Å; V217-I224 HydrophobicContact CG2-CG2 3.57Å; S222-I224 VanDerWaalsContact C-N 3.31Å; I224-W226 VanDerWaalsContact C-N 3.32Å; I224-L228 HydrophobicContact CD1-CD1 4.15Å; I224-L228 HydrophobicContact CG1-CD1 3.69Å; I224-L228 HydrophobicContact CG1-CG 4.25Å; I224-L228 WeakPolarHBondContact O-CB 3.38Å; I224-L228 PolarHBondContact O-N 3.21Å
225N98.3Very high97.9Very high0 Ų035.9 Ų35.90%019%0.192CC..Hα-helixtrans-66.6-37.3171.4-68.6-5.1000111.2R173 C216 V217 S222 G229 R230 C325R173-N225 PolarHBondContact NH2-OD1 3.4Å; C216-N225 PolarHBondContact O-OD1 2.91Å; V217-N225 PolarHBondContact N-OD1 3.48Å; V217-N225 PolarHBondContact O-ND2 3.18Å; S222-N225 VanDerWaalsContact OG-CB 3.31Å; S222-N225 WeakPolarHBondContact OG-CB 3.24Å; S222-N225 PolarHBondContact OG-N 3.5Å; S222-N225 PolarHBondContact OG-ND2 2.79Å; S222-N225 PolarHBondContact OG-OD1 3.28Å; N225-G229 CarbonylContact O-C 3.59Å; N225-G229 WeakPolarHBondContact O-CA 3.43Å; N225-G229 PolarHBondContact O-N 3Å; N225-R230 HydrophobicContact CB-CB 4.3Å; N225-R230 WeakPolarHBondContact OD1-CD 2.96Å; N225-C325 HydrophobicContact CB-CB 4.11Å
226W98.3Very high98Very high58 Ų5833 Ų3322%0.2218%0.182CC..Hα-helixtrans-62.7-47.3176.6178.8-112.3000112.3S222 A223 I224 V274 G275 F277 Q304 L306 P324S222-W226 PolarHBondContact O-N 2.99Å; A223-W226 WeakPolarHBondContact O-CB 3.49Å; A223-W226 PolarHBondContact O-N 3.04Å; I224-W226 VanDerWaalsContact C-N 3.32Å; W226-V274 HydrophobicContact CB-CG1 4.31Å; W226-V274 HydrophobicContact CG-CG1 4.49Å; W226-G275 VanDerWaalsContact CE3-CA 3.41Å; W226-F277 HydrophobicContact CH2-CD2 4.26Å; W226-F277 AromaticContact CZ2-CD2 3.88Å; W226-F277 HydrophobicContact CZ2-CD2 3.88Å; W226-F277 HydrophobicContact CZ2-CE2 4.09Å; W226-Q304 VanDerWaalsContact CA-OE1 3.27Å; W226-Q304 HydrophobicContact CE3-CB 3.84Å; W226-Q304 HydrophobicContact CZ3-CB 4.08Å; W226-L306 HydrophobicContact CH2-CB 3.72Å; W226-L306 HydrophobicContact CZ2-CB 4.25Å; W226-P324 HydrophobicContact CD2-CG 4.25Å; W226-P324 HydrophobicContact CE3-CG 3.38Å; W226-P324 HydrophobicContact CH2-CG 4.47Å; W226-P324 HydrophobicContact CZ3-CG 3.52Å
227I98.1Very high98Very high126 Ų12636.2 Ų36.265%0.64620%0.196SC*.Hα-helixtrans-80.3-43.5-172.5-65.3164.3000111.6A223A223-I227 HydrophobicContact CB-CD1 4.39Å; A223-I227 WeakPolarHBondContact O-CB 3.25Å; A223-I227 WeakPolarHBondContact O-CD1 3.14Å; A223-I227 VanDerWaalsContact O-CG1 3.24Å; A223-I227 WeakPolarHBondContact O-CG1 3.41Å; A223-I227 PolarHBondContact O-N 3.13Å
228L97.6Very high98Very high81 Ų8135.8 Ų35.842%0.42419%0.194SC..Hα-helixtrans-105.4-5-171.4-59.4-177000113.4I224I224-L228 HydrophobicContact CD1-CD1 4.15Å; I224-L228 HydrophobicContact CG1-CD1 3.69Å; I224-L228 HydrophobicContact CG1-CG 4.25Å; I224-L228 WeakPolarHBondContact O-CB 3.38Å; I224-L228 PolarHBondContact O-N 3.21Å
229G98.2Very high98Very high9 Ų938.4 Ų38.49%0.09321%0.208CC..  trans73.9166.6-173.400000113.9R173 N225 P324R173-G229 PolarHBondContact NH2-O 2.99Å; N225-G229 CarbonylContact O-C 3.59Å; N225-G229 WeakPolarHBondContact O-CA 3.43Å; N225-G229 PolarHBondContact O-N 3Å; G229-P324 WeakPolarHBondContact CA-O 3.41Å
230R98.5Very high97.9Very high2 Ų234.6 Ų34.61%0.00819%0.191CC..  trans-164.5128.5171.2179.5169-178.3-98-8.6110.8M115 T116 M184 V217 D218 N225 P324 C325 E327M115-R230 HydrophobicContact SD-CG 4.32Å; M115-R230 PolarHBondContact SD-NH2 3.09Å; M115-R230 VanDerWaalsContact SD-NH2 3.37Å; T116-R230 HydrophobicContact CG2-CG 4.29Å; T116-R230 WeakPolarHBondContact OG1-CD 3.36Å; T116-R230 WeakPolarHBondContact OG1-CG 3.46Å; T116-R230 PolarHBondContact OG1-NE 3.36Å; M184-R230 PolarHBondContact SD-NH2 3.45Å; V217-R230 WeakPolarHBondContact O-CD 3.29Å; V217-R230 PolarHBondContact O-NH1 2.96Å; V217-R230 VanDerWaalsContact O-NH1 3.13Å; D218-R230 IonicContact OD1-CZ 3.9Å; D218-R230 IonicContact OD1-NH1 2.66Å; D218-R230 PolarHBondContact OD1-NH1 3.12Å; D218-R230 IonicContact OD1-NH2 2.75Å; D218-R230 PolarHBondContact OD1-NH2 3.16Å; N225-R230 HydrophobicContact CB-CB 4.3Å; N225-R230 WeakPolarHBondContact OD1-CD 2.96Å; R230-P324 PolarHBondContact N-O 2.85Å; R230-C325 HydrophobicContact CB-CB 3.95Å; R230-C325 CarbonylContact O-C 3.52Å; R230-C325 WeakPolarHBondContact O-CA 3.31Å; R230-C325 VanDerWaalsContact O-CB 3.29Å; R230-C325 WeakPolarHBondContact O-CB 3.48Å; R230-E327 IonicContact CZ-OE1 3.28Å; R230-E327 IonicContact NH1-OE1 3.16Å; R230-E327 PolarHBondContact NH1-OE1 3.06Å; R230-E327 IonicContact NH1-OE2 3.23Å; R230-E327 PolarHBondContact NH1-OE2 3.08Å; R230-E327 IonicContact NH2-OE1 3.77Å
231G98.2Very high97.8Very high1 Ų133 Ų331%0.0119%0.189CC..EExtended strand (participates in β ladder)trans74.7-128.5-166.700000109.2D113 C114D113-G231 CarbonylContact C-O 3.37Å; D113-G231 WeakPolarHBondContact CA-O 3.4Å; C114-G231 PolarHBondContact N-O 3.34Å; C114-G231 PolarHBondContact O-N 3.17Å
232R98.4Very high98Very high1 Ų131.4 Ų31.40%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-102.8124.1-176.7-71.6160.8-170.784-1110.2L110 S112 D113 G179 L326 V328 A361L110-R232 HydrophobicContact CD1-CB 4Å; L110-R232 HydrophobicContact CD1-CG 4.27Å; S112-R232 CarbonylContact O-C 3.59Å; S112-R232 WeakPolarHBondContact O-CA 3.48Å; D113-R232 HydrophobicContact CB-CG 4.31Å; D113-R232 IonicContact OD1-CZ 3.58Å; D113-R232 IonicContact OD1-NE 3.88Å; D113-R232 IonicContact OD1-NH2 2.67Å; D113-R232 IonicContact OD2-NE 2.81Å; G179-R232 PolarHBondContact O-NH2 3.23Å; R232-L326 HydrophobicContact CB-CB 4.49Å; R232-L326 PolarHBondContact N-O 2.82Å; R232-L326 WeakPolarHBondContact O-CB 3.23Å; R232-L326 PolarHBondContact O-N 3.48Å; R232-V328 PolarHBondContact NH1-O 2.95Å; R232-A361 WeakPolarHBondContact CD-O 3.32Å; R232-A361 VanDerWaalsContact CZ-CB 3.44Å
233S98.7Very high97.9Very high14 Ų1435.4 Ų35.410%0.09820%0.195CC..EExtended strand (participates in β ladder)trans-94.8120.8170.7-179.20000108.1L110 L111 S112 M323 P324L110-S233 WeakPolarHBondContact CD1-O 3.45Å; L111-S233 PolarHBondContact N-O 2.82Å; S112-S233 PolarHBondContact N-O 3Å; S112-S233 PolarHBondContact O-N 2.97Å; S233-M323 WeakPolarHBondContact CA-O 3.44Å; S233-P324 WeakPolarHBondContact CB-O 3.36Å; S233-P324 WeakPolarHBondContact OG-CA 3.45Å
234V98.8Very high97.6Very high0 Ų035 Ų350%019%0.187CC..EExtended strand (participates in β ladder)trans-134.3146-176.863.30000110.4A109 M323 L326 Q366 C369A109-V234 WeakPolarHBondContact O-CA 3.17Å; V234-M323 HydrophobicContact CG1-CB 4.04Å; V234-M323 PolarHBondContact N-O 3.34Å; V234-M323 PolarHBondContact O-N 2.83Å; V234-L326 HydrophobicContact CG1-CD1 3.51Å; V234-Q366 HydrophobicContact CG2-CG 4.08Å; V234-C369 HydrophobicContact CB-CB 4.45Å; V234-C369 HydrophobicContact CG1-CB 3.62Å; V234-C369 HydrophobicContact CG2-CB 3.95Å
235T98.8Very high97.4Very high35 Ų3533.6 Ų33.622%0.21518%0.18CC..EExtended strand (participates in β ladder)trans-124.2144.5168-164.30000109.6T108 A109 L111 C321 T322T108-T235 CarbonylContact C-O 3.55Å; T108-T235 VanDerWaalsContact CA-O 3.23Å; T108-T235 WeakPolarHBondContact CA-O 3.44Å; A109-T235 HydrophobicContact CB-CG2 4.06Å; A109-T235 PolarHBondContact N-O 3.34Å; A109-T235 PolarHBondContact O-N 2.94Å; L111-T235 HydrophobicContact CD1-CG2 4.31Å; L111-T235 HydrophobicContact CD2-CG2 4.22Å; L111-T235 HydrophobicContact CG-CG2 4.45Å; T235-C321 CarbonylContact C-O 3.5Å; T235-C321 VanDerWaalsContact CA-O 3.31Å; T235-C321 WeakPolarHBondContact CA-O 3.38Å; T235-C321 PolarHBondContact OG1-O 3.36Å; T235-T322 PolarHBondContact OG1-OG1 3.4Å
236G98.7Very high97.2Very high1 Ų139.9 Ų39.91%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-129.1146.1174.500000110.8L107 S320 C321 C369L107-G236 CarbonylContact O-C 3.58Å; L107-G236 VanDerWaalsContact O-CA 3.25Å; L107-G236 WeakPolarHBondContact O-CA 2.9Å; G236-S320 CarbonylContact O-C 3.59Å; G236-S320 WeakPolarHBondContact O-CA 3.44Å; G236-S320 WeakPolarHBondContact O-CB 3.4Å; G236-C321 PolarHBondContact N-O 2.92Å; G236-C321 PolarHBondContact O-N 3.21Å; G236-C369 PolarHBondContact N-SG 3.45Å; G236-C369 VanDerWaalsContact N-SG 3.45Å
237E98.5Very high96.8Very high67 Ų6741.1 Ų41.131%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-133.6145.1177.4177.1174.5137.900110.7V106 L107 R318 I319V106-E237 WeakPolarHBondContact CA-O 3.41Å; L107-E237 PolarHBondContact N-O 2.85Å; L107-E237 PolarHBondContact O-N 2.92Å; E237-R318 HydrophobicContact CG-CG 3.95Å; E237-R318 WeakPolarHBondContact OE1-CD 3.38Å; E237-R318 IonicContact OE1-CZ 2.74Å; E237-R318 IonicContact OE1-NE 2.79Å; E237-R318 PolarHBondContact OE1-NE 3.04Å; E237-R318 IonicContact OE1-NH2 3.74Å; E237-R318 IonicContact OE2-NE 3.92Å; E237-I319 WeakPolarHBondContact CA-O 3.33Å
238A98.3Very high96.3Very high4 Ų436.8 Ų36.83%0.03320%0.197CC..EExtended strand (participates in β ladder)trans-135.8148.316400000110.3G103 G105 V106 L240 I319 L373G103-A238 WeakPolarHBondContact O-CB 3.16Å; G105-A238 VanDerWaalsContact O-CB 3.26Å; G105-A238 WeakPolarHBondContact O-CB 3.2Å; V106-A238 HydrophobicContact CG2-CB 4.45Å; A238-L240 HydrophobicContact CB-CD1 4.05Å; A238-I319 HydrophobicContact CB-CG2 3.97Å; A238-I319 PolarHBondContact N-O 3.23Å; A238-I319 PolarHBondContact O-N 3.27Å; A238-L373 HydrophobicContact CB-CD1 4.42Å; A238-L373 HydrophobicContact CB-CD2 3.94Å
239I97.6Very high95.9Very high74 Ų7432.9 Ų32.938%0.37918%0.177SC..EExtended strand (participates in β ladder)trans-115.9123.5171.8-59.7176.7000107.8T312 D316 L317 R318I239-T312 HydrophobicContact CG2-CG2 4.17Å; I239-D316 HydrophobicContact CG2-CB 4.02Å; I239-L317 CarbonylContact C-O 3.56Å; I239-L317 WeakPolarHBondContact CA-O 3.37Å; I239-R318 HydrophobicContact CG1-CB 4.34Å; I239-R318 HydrophobicContact CG1-CG 4.3Å
240L96.9Very high95.4Very high1 Ų139.4 Ų39.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-113.2122.2-179.2-74.986.2000110.1E102 A238 V244 V245 L249 D316 L317 I319 L377E102-L240 VanDerWaalsContact O-CD2 3.26Å; E102-L240 WeakPolarHBondContact O-CD2 3.49Å; A238-L240 HydrophobicContact CB-CD1 4.05Å; L240-V244 HydrophobicContact CD2-CG1 4.45Å; L240-V245 HydrophobicContact CB-CG2 4.02Å; L240-L249 HydrophobicContact CD2-CD1 4.06Å; L240-D316 WeakPolarHBondContact O-CB 3.41Å; L240-L317 HydrophobicContact CB-CB 4.37Å; L240-L317 PolarHBondContact N-O 3.07Å; L240-L317 PolarHBondContact O-N 2.82Å; L240-I319 HydrophobicContact CD1-CG2 3.96Å; L240-L377 HydrophobicContact CD1-CD1 4.47Å; L240-L377 HydrophobicContact CD1-CD2 4.24Å; L240-L377 HydrophobicContact CD2-CD1 4.11Å; L240-L377 HydrophobicContact CD2-CD2 3.56Å; L240-L377 HydrophobicContact CD2-CG 4.43Å
241P96.4Very high95.2Very high51 Ų5139.9 Ų39.933%0.33121%0.206SC..  trans-53.7139.8173.4-30.938.8000113.2N243 V244 V245 D316P241-N243 WeakPolarHBondContact CB-OD1 3.13Å; P241-N243 PolarHBondContact O-N 2.89Å; P241-N243 VanDerWaalsContact O-N 3.13Å; P241-V244 HydrophobicContact CB-CG2 4.17Å; P241-V244 HydrophobicContact CG-CG2 4.39Å; P241-V244 WeakPolarHBondContact O-CA 3.23Å; P241-V244 WeakPolarHBondContact O-CB 3.47Å; P241-V244 PolarHBondContact O-N 3.24Å; P241-V245 PolarHBondContact O-N 2.95Å; P241-V245 VanDerWaalsContact O-N 3.1Å; P241-D316 VanDerWaalsContact CA-OD1 3.23Å; P241-D316 WeakPolarHBondContact CA-OD1 3.48Å
242D96.1Very high95Very high43 Ų4341 Ų4123%0.2321%0.212CC..Hα-helixtrans-52.9-37.8179169.383.7000112V244 V245 R246 V253 D316D242-V244 VanDerWaalsContact C-N 3.33Å; D242-V244 PolarHBondContact O-N 2.97Å; D242-V245 PolarHBondContact O-N 2.93Å; D242-R246 VanDerWaalsContact CG-NE 3.29Å; D242-R246 WeakPolarHBondContact O-CG 3.37Å; D242-R246 PolarHBondContact O-N 2.99Å; D242-R246 IonicContact OD1-CZ 3.37Å; D242-R246 IonicContact OD1-NE 3.33Å; D242-R246 PolarHBondContact OD1-NE 3.21Å; D242-R246 IonicContact OD1-NH2 2.89Å; D242-R246 PolarHBondContact OD1-NH2 2.99Å; D242-R246 WeakPolarHBondContact OD2-CD 3.24Å; D242-R246 IonicContact OD2-CZ 3.63Å; D242-R246 IonicContact OD2-NE 3.04Å; D242-R246 PolarHBondContact OD2-NE 3.37Å; D242-R246 IonicContact OD2-NH2 3.62Å; D242-V253 HydrophobicContact CB-CG2 4.23Å; D242-D316 PolarHBondContact N-OD1 3.02Å
243N94.9Very high94.9Very high100 Ų10041 Ų4154%0.53521%0.212SC..Hα-helixtrans-62.8-37.2177.472.8-19.8000112.4P241 T247P241-N243 WeakPolarHBondContact CB-OD1 3.13Å; P241-N243 PolarHBondContact O-N 2.89Å; P241-N243 VanDerWaalsContact O-N 3.13Å; N243-T247 VanDerWaalsContact O-CB 3.29Å; N243-T247 WeakPolarHBondContact O-CB 3.3Å; N243-T247 VanDerWaalsContact O-CG2 3.29Å; N243-T247 WeakPolarHBondContact O-CG2 3.19Å; N243-T247 PolarHBondContact O-N 2.88Å; N243-T247 PolarHBondContact O-OG1 3.06Å
244V93Very high94.9Very high38 Ų3844.3 Ų44.323%0.2323%0.228CC..Hα-helixtrans-67.2-45.2174.8174.20000109.2L240 P241 D242 R246 T247 V248 L249L240-V244 HydrophobicContact CD2-CG1 4.45Å; P241-V244 HydrophobicContact CB-CG2 4.17Å; P241-V244 HydrophobicContact CG-CG2 4.39Å; P241-V244 WeakPolarHBondContact O-CA 3.23Å; P241-V244 WeakPolarHBondContact O-CB 3.47Å; P241-V244 PolarHBondContact O-N 3.24Å; D242-V244 VanDerWaalsContact C-N 3.33Å; D242-V244 PolarHBondContact O-N 2.97Å; V244-R246 VanDerWaalsContact C-N 3.32Å; V244-R246 PolarHBondContact O-N 3.36Å; V244-T247 PolarHBondContact O-N 2.82Å; V244-V248 HydrophobicContact CG1-CB 4.16Å; V244-V248 HydrophobicContact CG1-CG2 4.05Å; V244-V248 WeakPolarHBondContact O-CA 3.35Å; V244-V248 WeakPolarHBondContact O-CB 3.41Å; V244-V248 PolarHBondContact O-N 3.46Å; V244-L249 PolarHBondContact O-N 3.03Å
245V94Very high94.8Very high0 Ų049.5 Ų49.50%025%0.251CS..Iπ-helixtrans-57-46.4177179.50000111.1L240 P241 D242 L249 K250 T251 V253 L256 L317L240-V245 HydrophobicContact CB-CG2 4.02Å; P241-V245 PolarHBondContact O-N 2.95Å; P241-V245 VanDerWaalsContact O-N 3.1Å; D242-V245 PolarHBondContact O-N 2.93Å; V245-L249 HydrophobicContact CG1-CD1 4.49Å; V245-L249 HydrophobicContact CG2-CD1 4.41Å; V245-L249 CarbonylContact O-C 3.44Å; V245-L249 WeakPolarHBondContact O-CA 3.39Å; V245-L249 VanDerWaalsContact O-CB 3.28Å; V245-L249 WeakPolarHBondContact O-CB 3.44Å; V245-L249 PolarHBondContact O-N 3.08Å; V245-K250 PolarHBondContact O-N 3.48Å; V245-K250 VanDerWaalsContact O-N 3.07Å; V245-T251 CarbonylContact C-O 3.51Å; V245-T251 HydrophobicContact CG1-CG2 3.7Å; V245-T251 PolarHBondContact O-N 3.27Å; V245-V253 HydrophobicContact CB-CG2 4.22Å; V245-V253 HydrophobicContact CG1-CG2 4.2Å; V245-V253 HydrophobicContact CG2-CG2 4.15Å; V245-L256 HydrophobicContact CG1-CD1 3.76Å; V245-L317 HydrophobicContact CG2-CB 3.99Å; V245-L317 HydrophobicContact CG2-CD2 4.23Å
246R93.8Very high94.7Very high131 Ų13147.8 Ų47.849%0.49424%0.241SC..Iπ-helixtrans-67.8-49.9178.1-67.8-178.2-165.1-86.4-13.5113.4D242 V244 K250 T251D242-R246 VanDerWaalsContact CG-NE 3.29Å; D242-R246 WeakPolarHBondContact O-CG 3.37Å; D242-R246 PolarHBondContact O-N 2.99Å; D242-R246 IonicContact OD1-CZ 3.37Å; D242-R246 IonicContact OD1-NE 3.33Å; D242-R246 PolarHBondContact OD1-NE 3.21Å; D242-R246 IonicContact OD1-NH2 2.89Å; D242-R246 PolarHBondContact OD1-NH2 2.99Å; D242-R246 WeakPolarHBondContact OD2-CD 3.24Å; D242-R246 IonicContact OD2-CZ 3.63Å; D242-R246 IonicContact OD2-NE 3.04Å; D242-R246 PolarHBondContact OD2-NE 3.37Å; D242-R246 IonicContact OD2-NH2 3.62Å; V244-R246 VanDerWaalsContact C-N 3.32Å; V244-R246 PolarHBondContact O-N 3.36Å; R246-K250 WeakPolarHBondContact O-CA 3.27Å; R246-K250 PolarHBondContact O-N 3.32Å; R246-T251 WeakPolarHBondContact CA-O 3.43Å; R246-T251 PolarHBondContact N-O 3.24Å
247T89.7Confident94.7Very high84 Ų8449.2 Ų49.252%0.51525%0.248SC..Iπ-helixtrans-83-26.1-170.261.30000113.1N243 V244 K250N243-T247 VanDerWaalsContact O-CB 3.29Å; N243-T247 WeakPolarHBondContact O-CB 3.3Å; N243-T247 VanDerWaalsContact O-CG2 3.29Å; N243-T247 WeakPolarHBondContact O-CG2 3.19Å; N243-T247 PolarHBondContact O-N 2.88Å; N243-T247 PolarHBondContact O-OG1 3.06Å; V244-T247 PolarHBondContact O-N 2.82Å; T247-K250 WeakPolarHBondContact O-CD 3.34Å; T247-K250 WeakPolarHBondContact O-CE 3.38Å; T247-K250 PolarHBondContact O-NZ 3.33Å
248V87.1Confident94.7Very high35 Ų3552.1 Ų52.121%0.21226%0.261CS..Iπ-helixtrans-110.2-51.4-174.4177.60000111.7R98 E102 V244 K250R98-V248 PolarHBondContact NH2-O 2.89Å; E102-V248 HydrophobicContact CB-CG1 3.55Å; E102-V248 HydrophobicContact CG-CG1 3.16Å; E102-V248 WeakPolarHBondContact OE2-CG1 3.5Å; V244-V248 HydrophobicContact CG1-CB 4.16Å; V244-V248 HydrophobicContact CG1-CG2 4.05Å; V244-V248 WeakPolarHBondContact O-CA 3.35Å; V244-V248 WeakPolarHBondContact O-CB 3.41Å; V244-V248 PolarHBondContact O-N 3.46Å; V248-K250 PolarHBondContact O-N 3.33Å
249L88.5Confident94.7Very high0 Ų053.7 Ų53.70%027%0.269CS..Iπ-helixtrans-74.8-17.9178.6-58.6-177.5000111.6R98 E102 L240 V244 V245 T251 L256 L377 A381 C385R98-L249 PolarHBondContact NH2-O 3.43Å; R98-L249 VanDerWaalsContact NH2-O 3.17Å; E102-L249 HydrophobicContact CB-CD2 4.35Å; L240-L249 HydrophobicContact CD2-CD1 4.06Å; V244-L249 PolarHBondContact O-N 3.03Å; V245-L249 HydrophobicContact CG1-CD1 4.49Å; V245-L249 HydrophobicContact CG2-CD1 4.41Å; V245-L249 CarbonylContact O-C 3.44Å; V245-L249 WeakPolarHBondContact O-CA 3.39Å; V245-L249 VanDerWaalsContact O-CB 3.28Å; V245-L249 WeakPolarHBondContact O-CB 3.44Å; V245-L249 PolarHBondContact O-N 3.08Å; L249-T251 HydrophobicContact CB-CG2 3.96Å; L249-T251 PolarHBondContact O-N 3.36Å; L249-L256 HydrophobicContact CD1-CD1 4.27Å; L249-L377 HydrophobicContact CD1-CD1 3.62Å; L249-L377 HydrophobicContact CD1-CD2 4.29Å; L249-L377 HydrophobicContact CD1-CG 3.96Å; L249-A381 HydrophobicContact CB-CB 3.85Å; L249-A381 HydrophobicContact CD1-CB 4.3Å; L249-A381 HydrophobicContact CD2-CB 4.08Å; L249-A381 HydrophobicContact CG-CB 4.3Å; L249-C385 PolarHBondContact O-SG 3.37Å; L249-C385 VanDerWaalsContact O-SG 3.38Å
250K89.1Confident94.7Very high145 Ų14550.1 Ų50.163%0.6325%0.251SS*.SBendtrans64.825.2178.4-51.1-59.5-172.8-179.70113.1V245 R246 T247 V248 C385V245-K250 PolarHBondContact O-N 3.48Å; V245-K250 VanDerWaalsContact O-N 3.07Å; R246-K250 WeakPolarHBondContact O-CA 3.27Å; R246-K250 PolarHBondContact O-N 3.32Å; T247-K250 WeakPolarHBondContact O-CD 3.34Å; T247-K250 WeakPolarHBondContact O-CE 3.38Å; T247-K250 PolarHBondContact O-NZ 3.33Å; V248-K250 PolarHBondContact O-N 3.33Å; K250-C385 PolarHBondContact O-SG 2.61Å
251T93.1Very high94.8Very high12 Ų1252.6 Ų52.67%0.07427%0.266CS..SBendtrans-129.4-171.7179.2-169.10000109.7V245 R246 L249 L256 C385V245-T251 CarbonylContact C-O 3.51Å; V245-T251 HydrophobicContact CG1-CG2 3.7Å; V245-T251 PolarHBondContact O-N 3.27Å; R246-T251 WeakPolarHBondContact CA-O 3.43Å; R246-T251 PolarHBondContact N-O 3.24Å; L249-T251 HydrophobicContact CB-CG2 3.96Å; L249-T251 PolarHBondContact O-N 3.36Å; T251-L256 HydrophobicContact CG2-CD1 3.5Å; T251-L256 HydrophobicContact CG2-CD2 4.05Å; T251-L256 HydrophobicContact CG2-CG 3.57Å; T251-C385 VanDerWaalsContact CB-SG 3.55Å
252D94.3Very high94.9Very high26 Ų2653.9 Ų53.914%0.13927%0.272CS..  trans-122.5159.4169.660.479.5000110.8D254 K255 L256D252-D254 VanDerWaalsContact C-N 3.33Å; D252-D254 PolarHBondContact O-N 3.36Å; D252-D254 PolarHBondContact OD1-N 3.06Å; D252-K255 PolarHBondContact O-N 3.3Å; D252-K255 WeakPolarHBondContact OD1-CB 3.47Å; D252-K255 WeakPolarHBondContact OD1-CG 3.31Å; D252-K255 PolarHBondContact OD1-N 3.11Å; D252-K255 WeakPolarHBondContact OD2-CD 3.43Å; D252-K255 VanDerWaalsContact OD2-CE 3.25Å; D252-K255 WeakPolarHBondContact OD2-CE 3.1Å; D252-K255 WeakPolarHBondContact OD2-CG 3.45Å; D252-K255 IonicContact OD2-NZ 2.73Å; D252-K255 PolarHBondContact OD2-NZ 2.9Å; D252-L256 PolarHBondContact O-N 2.98Å
253V97.4Very high95Very high0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-58.6-44.7-176176.40000111.2D242 V245 K255 L256 I257 K311 L317D242-V253 HydrophobicContact CB-CG2 4.23Å; V245-V253 HydrophobicContact CB-CG2 4.22Å; V245-V253 HydrophobicContact CG1-CG2 4.2Å; V245-V253 HydrophobicContact CG2-CG2 4.15Å; V253-K255 PolarHBondContact O-N 3.28Å; V253-L256 PolarHBondContact O-N 3.44Å; V253-I257 HydrophobicContact CG1-CD1 3.67Å; V253-I257 HydrophobicContact CG1-CG1 4.44Å; V253-I257 WeakPolarHBondContact O-CG1 3.37Å; V253-I257 PolarHBondContact O-N 2.85Å; V253-K311 HydrophobicContact CG1-CB 4.16Å; V253-K311 HydrophobicContact CG1-CG 4.12Å; V253-L317 HydrophobicContact CG1-CB 4.11Å; V253-L317 HydrophobicContact CG1-CD1 4.21Å; V253-L317 HydrophobicContact CG2-CB 4.15Å
254D97.7Very high95.2Very high84 Ų8450.2 Ų50.245%0.44925%0.25SC..Hα-helixtrans-63.7-42.9-178.3-68.3-53.5000112.1D252 L256 I257 Q258 K311D252-D254 VanDerWaalsContact C-N 3.33Å; D252-D254 PolarHBondContact O-N 3.36Å; D252-D254 PolarHBondContact OD1-N 3.06Å; D254-L256 VanDerWaalsContact C-N 3.33Å; D254-L256 PolarHBondContact O-N 3.27Å; D254-I257 PolarHBondContact O-N 3.1Å; D254-Q258 VanDerWaalsContact O-CB 3.28Å; D254-Q258 WeakPolarHBondContact O-CB 3.12Å; D254-Q258 PolarHBondContact O-N 2.91Å; D254-K311 VanDerWaalsContact OD1-CE 3.28Å; D254-K311 WeakPolarHBondContact OD1-CE 3.34Å; D254-K311 IonicContact OD1-NZ 2.63Å; D254-K311 PolarHBondContact OD1-NZ 3.42Å; D254-K311 IonicContact OD2-NZ 2.73Å; D254-K311 PolarHBondContact OD2-NZ 3.37Å
255K96.7Very high95.5Very high108 Ų10850.5 Ų50.547%0.4725%0.25SC..Hα-helixtrans-62-39.1174.8-79.5-173.1-168.2123.50112.8D252 V253 L259D252-K255 PolarHBondContact O-N 3.3Å; D252-K255 WeakPolarHBondContact OD1-CB 3.47Å; D252-K255 WeakPolarHBondContact OD1-CG 3.31Å; D252-K255 PolarHBondContact OD1-N 3.11Å; D252-K255 WeakPolarHBondContact OD2-CD 3.43Å; D252-K255 VanDerWaalsContact OD2-CE 3.25Å; D252-K255 WeakPolarHBondContact OD2-CE 3.1Å; D252-K255 WeakPolarHBondContact OD2-CG 3.45Å; D252-K255 IonicContact OD2-NZ 2.73Å; D252-K255 PolarHBondContact OD2-NZ 2.9Å; V253-K255 PolarHBondContact O-N 3.28Å; K255-L259 VanDerWaalsContact O-CB 3.23Å; K255-L259 WeakPolarHBondContact O-CB 3.3Å; K255-L259 PolarHBondContact O-N 2.95Å
256L97.4Very high95.7Very high0 Ų054.7 Ų54.70%028%0.275CS..Hα-helixtrans-65.5-46.5177.2-79.9175.6000111.5V245 L249 T251 D252 V253 D254 L259 N260 M309 L317 L380 A381 A384V245-L256 HydrophobicContact CG1-CD1 3.76Å; L249-L256 HydrophobicContact CD1-CD1 4.27Å; T251-L256 HydrophobicContact CG2-CD1 3.5Å; T251-L256 HydrophobicContact CG2-CD2 4.05Å; T251-L256 HydrophobicContact CG2-CG 3.57Å; D252-L256 PolarHBondContact O-N 2.98Å; V253-L256 PolarHBondContact O-N 3.44Å; D254-L256 VanDerWaalsContact C-N 3.33Å; D254-L256 PolarHBondContact O-N 3.27Å; L256-L259 PolarHBondContact O-N 2.74Å; L256-N260 WeakPolarHBondContact O-CB 3.18Å; L256-N260 PolarHBondContact O-N 3.05Å; L256-M309 HydrophobicContact CB-SD 4.11Å; L256-L317 HydrophobicContact CB-CD1 4.47Å; L256-L317 HydrophobicContact CD1-CD2 3.63Å; L256-L380 HydrophobicContact CD2-CB 4.18Å; L256-A381 HydrophobicContact CD2-CB 4.36Å; L256-A384 HydrophobicContact CD2-CB 4.09Å
257I98.5Very high95.9Very high31 Ų3150 Ų5016%0.15927%0.268CS..Hα-helixtrans-62-46.3177.4-66.6164.8000110.5V253 D254 L259 N260 T261 M309 E310 K311 L317V253-I257 HydrophobicContact CG1-CD1 3.67Å; V253-I257 HydrophobicContact CG1-CG1 4.44Å; V253-I257 WeakPolarHBondContact O-CG1 3.37Å; V253-I257 PolarHBondContact O-N 2.85Å; D254-I257 PolarHBondContact O-N 3.1Å; I257-L259 PolarHBondContact O-N 3.36Å; I257-N260 PolarHBondContact O-N 3.01Å; I257-T261 WeakPolarHBondContact O-CB 3.46Å; I257-T261 PolarHBondContact O-N 2.87Å; I257-T261 PolarHBondContact O-OG1 3.24Å; I257-M309 HydrophobicContact CG1-CB 4.14Å; I257-E310 VanDerWaalsContact CD1-C 3.46Å; I257-K311 HydrophobicContact CD1-CB 3.64Å; I257-K311 VanDerWaalsContact CD1-N 3.32Å; I257-L317 HydrophobicContact CG1-CD1 4.1Å
258Q98.3Very high96.4Very high128 Ų12846.8 Ų46.860%0.59825%0.248SC*.Hα-helixtrans-58.6-49.6176.8-174.2-177.22100110.4D254 T261 V262D254-Q258 VanDerWaalsContact O-CB 3.28Å; D254-Q258 WeakPolarHBondContact O-CB 3.12Å; D254-Q258 PolarHBondContact O-N 2.91Å; Q258-T261 PolarHBondContact O-N 3.31Å; Q258-V262 WeakPolarHBondContact O-CG1 3.44Å; Q258-V262 WeakPolarHBondContact O-CG2 3.48Å; Q258-V262 PolarHBondContact O-N 3.1Å
259L98.2Very high96.9Very high36 Ų3648.2 Ų48.219%0.18826%0.264CS..Hα-helixtrans-60.1-47.4178.8177.763.5000111.7K255 L256 I257 T261 V262 K263 L380 L383 A384K255-L259 VanDerWaalsContact O-CB 3.23Å; K255-L259 WeakPolarHBondContact O-CB 3.3Å; K255-L259 PolarHBondContact O-N 2.95Å; L256-L259 PolarHBondContact O-N 2.74Å; I257-L259 PolarHBondContact O-N 3.36Å; L259-T261 VanDerWaalsContact C-N 3.31Å; L259-T261 PolarHBondContact O-N 2.77Å; L259-V262 PolarHBondContact O-N 3.41Å; L259-K263 HydrophobicContact CD1-CB 4.18Å; L259-K263 WeakPolarHBondContact O-CB 3.46Å; L259-K263 PolarHBondContact O-N 3.15Å; L259-L380 HydrophobicContact CD2-CB 4.49Å; L259-L380 HydrophobicContact CD2-CD2 4.11Å; L259-L380 VanDerWaalsContact CD2-O 3.26Å; L259-L380 WeakPolarHBondContact CD2-O 3.43Å; L259-L380 HydrophobicContact CG-CD2 4.23Å; L259-L383 HydrophobicContact CD2-CB 3.64Å; L259-A384 HydrophobicContact CD2-CB 3.92Å
260N98.7Very high97.4Very high0 Ų057.2 Ų57.20%030%0.303CS..Hα-helixtrans-59.7-45.1178.3-173.766.1000110.8L256 I257 N264 L265 T307 M309L256-N260 WeakPolarHBondContact O-CB 3.18Å; L256-N260 PolarHBondContact O-N 3.05Å; I257-N260 PolarHBondContact O-N 3.01Å; N260-N264 WeakPolarHBondContact O-CA 3.23Å; N260-N264 WeakPolarHBondContact O-CB 3.36Å; N260-N264 PolarHBondContact O-N 3.03Å; N260-N264 PolarHBondContact OD1-ND2 2.94Å; N260-L265 PolarHBondContact O-N 3.5Å; N260-T307 PolarHBondContact ND2-O 2.97Å; N260-T307 PolarHBondContact OD1-O 2.91Å; N260-M309 HydrophobicContact CB-CB 4.07Å; N260-M309 HydrophobicContact CB-CG 4.06Å; N260-M309 HydrophobicContact CB-SD 3.7Å; N260-M309 PolarHBondContact ND2-N 2.95Å
261T98.7Very high97.8Very high53 Ų5353.8 Ų53.833%0.32530%0.302SS..Iπ-helixtrans-60.4-53.4178.3-58.10000111.3I257 Q258 L259 L265 V266I257-T261 WeakPolarHBondContact O-CB 3.46Å; I257-T261 PolarHBondContact O-N 2.87Å; I257-T261 PolarHBondContact O-OG1 3.24Å; Q258-T261 PolarHBondContact O-N 3.31Å; L259-T261 VanDerWaalsContact C-N 3.31Å; L259-T261 PolarHBondContact O-N 2.77Å; T261-L265 VanDerWaalsContact O-CB 3.31Å; T261-L265 WeakPolarHBondContact O-CB 3.15Å; T261-L265 PolarHBondContact O-N 2.78Å; T261-V266 PolarHBondContact O-N 2.9Å
262V98.5Very high98Very high78 Ų7856.1 Ų56.147%0.47333%0.329SS..Iπ-helixtrans-74.2-31.1-175-57.30000112.7Q258 L259 G267Q258-V262 WeakPolarHBondContact O-CG1 3.44Å; Q258-V262 WeakPolarHBondContact O-CG2 3.48Å; Q258-V262 PolarHBondContact O-N 3.1Å; L259-V262 PolarHBondContact O-N 3.41Å; V262-G267 PolarHBondContact O-N 3.06Å
263K98.5Very high98Very high66 Ų6657.8 Ų57.829%0.28734%0.34SS..Iπ-helixtrans-87.6-63.9-178.2-169.4-171.8102.155.40112.1L259 G267 S268 L380 L383L259-K263 HydrophobicContact CD1-CB 4.18Å; L259-K263 WeakPolarHBondContact O-CB 3.46Å; L259-K263 PolarHBondContact O-N 3.15Å; K263-G267 WeakPolarHBondContact O-CA 3.29Å; K263-G267 PolarHBondContact O-N 3.37Å; K263-S268 PolarHBondContact O-N 2.68Å; K263-L380 HydrophobicContact CD-CD2 4.47Å; K263-L383 HydrophobicContact CD-CD1 4.04Å
264N98.7Very high97.9Very high0 Ų061 Ų610%036%0.359CS..Iπ-helixtrans-78.7-25.5-169.5-72.4-9.2000112.2N260 S268 F277 N278 A279N260-N264 WeakPolarHBondContact O-CA 3.23Å; N260-N264 WeakPolarHBondContact O-CB 3.36Å; N260-N264 PolarHBondContact O-N 3.03Å; N260-N264 PolarHBondContact OD1-ND2 2.94Å; N264-S268 VanDerWaalsContact O-CB 3.31Å; N264-S268 WeakPolarHBondContact O-CB 3.33Å; N264-S268 PolarHBondContact O-OG 2.63Å; N264-F277 VanDerWaalsContact O-CA 3.26Å; N264-F277 WeakPolarHBondContact O-CA 3.32Å; N264-F277 WeakPolarHBondContact O-CB 3.35Å; N264-N278 VanDerWaalsContact CG-C 3.47Å; N264-N278 PolarHBondContact OD1-O 3.45Å; N264-N278 VanDerWaalsContact OD1-O 3.11Å; N264-A279 PolarHBondContact OD1-N 2.9Å
265L98.6Very high97.8Very high44 Ų4457 Ų5723%0.2334%0.338CS..Iπ-helixtrans-99.8-69.8175.8-47.1-178.7000111.6N260 T261 G267 S268 A269 F277 L306 F308N260-L265 PolarHBondContact O-N 3.5Å; T261-L265 VanDerWaalsContact O-CB 3.31Å; T261-L265 WeakPolarHBondContact O-CB 3.15Å; T261-L265 PolarHBondContact O-N 2.78Å; L265-G267 PolarHBondContact O-N 2.77Å; L265-S268 PolarHBondContact O-N 3.22Å; L265-A269 VanDerWaalsContact O-CB 3.25Å; L265-A269 WeakPolarHBondContact O-CB 3.47Å; L265-A269 PolarHBondContact O-N 2.91Å; L265-F277 HydrophobicContact CD2-CB 4.43Å; L265-L306 HydrophobicContact CD2-CD1 3.66Å; L265-F308 HydrophobicContact CD1-CD2 4.34Å; L265-F308 HydrophobicContact CD1-CE2 4.28Å
266V98.7Very high97.9Very high88 Ų8852.8 Ų52.853%0.53333%0.325SS..Iπ-helixtrans-64.3-44.6-173.7178.30000111.5T261 A269 K270T261-V266 PolarHBondContact O-N 2.9Å; V266-A269 PolarHBondContact O-N 2.75Å; V266-K270 WeakPolarHBondContact O-CB 3.38Å; V266-K270 PolarHBondContact O-N 3.2Å
267G98.7Very high98Very high33 Ų3354.9 Ų54.934%0.3433%0.334SS..Iπ-helixtrans-60.5-50.617700000112.4V262 K263 L265 A269 K270 A271V262-G267 PolarHBondContact O-N 3.06Å; K263-G267 WeakPolarHBondContact O-CA 3.29Å; K263-G267 PolarHBondContact O-N 3.37Å; L265-G267 PolarHBondContact O-N 2.77Å; G267-A269 PolarHBondContact O-N 3.14Å; G267-K270 PolarHBondContact O-N 2.89Å; G267-A271 WeakPolarHBondContact O-CB 3.17Å; G267-A271 PolarHBondContact O-N 3.26Å
268S98.5Very high98Very high15 Ų1554.4 Ų54.411%0.10533%0.332CS..Hα-helixtrans-63.1-39177-66.10000112.8K263 N264 L265 A271 G272 V273 G276K263-S268 PolarHBondContact O-N 2.68Å; N264-S268 VanDerWaalsContact O-CB 3.31Å; N264-S268 WeakPolarHBondContact O-CB 3.33Å; N264-S268 PolarHBondContact O-OG 2.63Å; L265-S268 PolarHBondContact O-N 3.22Å; S268-A271 PolarHBondContact O-N 3.35Å; S268-G272 PolarHBondContact O-N 3.24Å; S268-G272 VanDerWaalsContact O-N 3.17Å; S268-V273 PolarHBondContact O-N 3.36Å; S268-V273 VanDerWaalsContact O-N 3.1Å; S268-G276 PolarHBondContact OG-O 3.17Å
269A98.2Very high98Very high66 Ų6649.4 Ų49.455%0.54531%0.313SS..Hα-helixtrans-62.8-45.1174.100000111.5L265 V266 G267 A271 G272L265-A269 VanDerWaalsContact O-CB 3.25Å; L265-A269 WeakPolarHBondContact O-CB 3.47Å; L265-A269 PolarHBondContact O-N 2.91Å; V266-A269 PolarHBondContact O-N 2.75Å; G267-A269 PolarHBondContact O-N 3.14Å; A269-A271 VanDerWaalsContact C-N 3.25Å; A269-A271 PolarHBondContact O-N 2.82Å; A269-G272 PolarHBondContact O-N 3.07Å; A269-G272 VanDerWaalsContact O-N 3.08Å
270K98.2Very high98Very high188 Ų18848.6 Ų48.682%0.81731%0.308SS*.Hα-helixtrans-63.5-32.7177.2-177.657.6179.5176.90112.4V266 G267 G272V266-K270 WeakPolarHBondContact O-CB 3.38Å; V266-K270 PolarHBondContact O-N 3.2Å; G267-K270 PolarHBondContact O-N 2.89Å; K270-G272 VanDerWaalsContact C-N 3.29Å
271A98.1Very high98Very high74 Ų7448.6 Ų48.661%0.61231%0.308SS*.THydrogen-bonded Turntrans-79.8-5.9176.300000113.9G267 S268 A269 V273G267-A271 WeakPolarHBondContact O-CB 3.17Å; G267-A271 PolarHBondContact O-N 3.26Å; S268-A271 PolarHBondContact O-N 3.35Å; A269-A271 VanDerWaalsContact C-N 3.25Å; A269-A271 PolarHBondContact O-N 2.82Å; A271-V273 VanDerWaalsContact C-N 3.29Å; A271-V273 HydrophobicContact CB-CG2 3.84Å; A271-V273 PolarHBondContact O-N 2.9Å
272G96.8Very high98Very high61 Ų6148.4 Ų48.463%0.62931%0.311SS*.THydrogen-bonded Turntrans67.727.9-179.100000113.6S268 A269 K270S268-G272 PolarHBondContact O-N 3.24Å; S268-G272 VanDerWaalsContact O-N 3.17Å; A269-G272 PolarHBondContact O-N 3.07Å; A269-G272 VanDerWaalsContact O-N 3.08Å; K270-G272 VanDerWaalsContact C-N 3.29Å
273V95.3Very high98Very high61 Ų6147.4 Ų47.437%0.3730%0.303SS..  trans-78.9133.8-178.3-177.50000110.2S268 A271S268-V273 PolarHBondContact O-N 3.36Å; S268-V273 VanDerWaalsContact O-N 3.1Å; A271-V273 VanDerWaalsContact C-N 3.29Å; A271-V273 HydrophobicContact CB-CG2 3.84Å; A271-V273 PolarHBondContact O-N 2.9Å
274V94.2Very high98Very high66 Ų6644.2 Ų44.240%0.429%0.29SS..SBendtrans-101.8118.4172.9179.30000109.5A223 W226 G276A223-V274 HydrophobicContact CB-CG1 3.97Å; W226-V274 HydrophobicContact CB-CG1 4.31Å; W226-V274 HydrophobicContact CG-CG1 4.49Å; V274-G276 VanDerWaalsContact C-N 3.27Å; V274-G276 PolarHBondContact O-N 2.57Å
275G97.2Very high98Very high1 Ų144.2 Ų44.21%0.0129%0.29CS..SBendtrans77.4-0.9177.100000115.9W226 Q304 C305W226-G275 VanDerWaalsContact CE3-CA 3.41Å; G275-Q304 CarbonylContact O-C 3.54Å; G275-Q304 VanDerWaalsContact O-CA 3.23Å; G275-Q304 WeakPolarHBondContact O-CA 3.48Å; G275-C305 PolarHBondContact O-N 2.96Å
276G98Very high98Very high20 Ų2044.1 Ų44.121%0.20630%0.295CS..EExtended strand (participates in β ladder)trans-10050.3178.800000113.3S268 V274 N278S268-G276 PolarHBondContact OG-O 3.17Å; V274-G276 VanDerWaalsContact C-N 3.27Å; V274-G276 PolarHBondContact O-N 2.57Å; G276-N278 PolarHBondContact O-N 3.35Å
277F98.6Very high98Very high43 Ų4340.1 Ų40.119%0.18927%0.271CS..EExtended strand (participates in β ladder)trans-92.150.1-179.7-55.4-81000111W226 N264 L265 C305 L306 T307W226-F277 HydrophobicContact CH2-CD2 4.26Å; W226-F277 AromaticContact CZ2-CD2 3.88Å; W226-F277 HydrophobicContact CZ2-CD2 3.88Å; W226-F277 HydrophobicContact CZ2-CE2 4.09Å; N264-F277 VanDerWaalsContact O-CA 3.26Å; N264-F277 WeakPolarHBondContact O-CA 3.32Å; N264-F277 WeakPolarHBondContact O-CB 3.35Å; L265-F277 HydrophobicContact CD2-CB 4.43Å; F277-C305 CarbonylContact C-O 3.58Å; F277-C305 PolarHBondContact N-O 3.44Å; F277-L306 HydrophobicContact CB-CB 4.43Å; F277-L306 HydrophobicContact CB-CD1 3.54Å; F277-L306 HydrophobicContact CG-CD1 4.23Å; F277-T307 PolarHBondContact O-N 3.01Å
278N98.8Very high98Very high21 Ų2138.5 Ų38.511%0.11226%0.255CS..SBendtrans-147174.3-173.964.283.8000110.9N264 G276 C281 C305 T307N264-N278 VanDerWaalsContact CG-C 3.47Å; N264-N278 PolarHBondContact OD1-O 3.45Å; N264-N278 VanDerWaalsContact OD1-O 3.11Å; G276-N278 PolarHBondContact O-N 3.35Å; N278-C281 HydrophobicContact CB-CB 4.23Å; N278-C281 VanDerWaalsContact CG-CB 3.46Å; N278-C281 WeakPolarHBondContact OD1-CB 3.12Å; N278-C281 PolarHBondContact OD1-N 2.85Å; N278-C305 HydrophobicContact CB-CB 4.16Å; N278-C305 PolarHBondContact ND2-O 3.33Å; N278-T307 WeakPolarHBondContact CB-OG1 3.36Å
279A98.5Very high98.1Very high23 Ų2337.8 Ų37.819%0.1925%0.25CC..SBendtrans-89.6-52.1-178.600000113.9N264 E376 L379 L380N264-A279 PolarHBondContact OD1-N 2.9Å; A279-E376 WeakPolarHBondContact CA-OE1 3.43Å; A279-E376 VanDerWaalsContact CB-OE2 3.25Å; A279-E376 WeakPolarHBondContact CB-OE2 3.48Å; A279-E376 VanDerWaalsContact N-CD 3.3Å; A279-E376 PolarHBondContact N-OE1 3.2Å; A279-E376 VanDerWaalsContact N-OE1 3.12Å; A279-E376 PolarHBondContact N-OE2 3.41Å; A279-L379 HydrophobicContact CB-CD2 3.77Å; A279-L379 HydrophobicContact CB-CG 4.37Å; A279-L380 HydrophobicContact CB-CD2 4.12Å; A279-L380 HydrophobicContact CB-CG 4.22Å
280H98.4Very high98.1Very high20 Ų2035.7 Ų35.79%0.09323%0.232CC..SBendtrans-155.535.1-176.776.6133.3000113.4A282 N283 G375 E376 L379H280-A282 PolarHBondContact O-N 3.06Å; H280-N283 HydrophobicContact CB-CB 4.26Å; H280-N283 WeakPolarHBondContact O-CB 3.33Å; H280-N283 PolarHBondContact O-N 3.23Å; H280-G375 WeakPolarHBondContact NE2-CA 3.44Å; H280-G375 PolarHBondContact NE2-O 2.98Å; H280-E376 IonicContact CD2-OE1 3.48Å; H280-E376 PolarHBondContact CD2-OE1 3.16Å; H280-E376 VanDerWaalsContact CD2-OE1 3.28Å; H280-E376 PolarHBondContact N-OE1 3.34Å; H280-L379 HydrophobicContact CB-CD2 3.59Å; H280-L379 WeakPolarHBondContact CD2-CD2 3.47Å; H280-L379 VanDerWaalsContact CG-CD2 3.41Å
281C98.7Very high98.1Very high0 Ų026.8 Ų26.80%019%0.194CC..Hα-helixtrans-48.1-39.8176.7179.70000112.4N278 N283 V284 V285 C305 M323 V372 E376N278-C281 HydrophobicContact CB-CB 4.23Å; N278-C281 VanDerWaalsContact CG-CB 3.46Å; N278-C281 WeakPolarHBondContact OD1-CB 3.12Å; N278-C281 PolarHBondContact OD1-N 2.85Å; C281-N283 VanDerWaalsContact C-N 3.32Å; C281-N283 PolarHBondContact O-N 2.81Å; C281-V284 PolarHBondContact O-N 3.48Å; C281-V285 WeakPolarHBondContact O-CB 3.17Å; C281-V285 WeakPolarHBondContact O-CG2 3.41Å; C281-V285 PolarHBondContact O-N 2.67Å; C281-C305 HydrophobicContact CB-CB 3.84Å; C281-C305 VanDerWaalsContact SG-CB 3.57Å; C281-M323 WeakPolarHBondContact SG-CE 3.15Å; C281-V372 HydrophobicContact CB-CG1 4.02Å; C281-E376 PolarHBondContact N-OE1 3.03Å
282A98.7Very high98.2Very high48 Ų4823.3 Ų23.340%0.39717%0.165SC..Hα-helixtrans-61.6-34.5179.800000114.4H280 A286 S303H280-A282 PolarHBondContact O-N 3.06Å; A282-A286 WeakPolarHBondContact O-CB 3.35Å; A282-A286 PolarHBondContact O-N 3.01Å; A282-S303 VanDerWaalsContact CA-OG 3.27Å; A282-S303 WeakPolarHBondContact CA-OG 3.28Å
283N98.6Very high98.2Very high57 Ų5720.9 Ų20.931%0.30514%0.14SC..Hα-helixtrans-64.3-45.6177.3-83.9-1.1000111E89 L92 H280 C281 A287E89-N283 PolarHBondContact OE2-ND2 3.26Å; L92-N283 HydrophobicContact CD1-CB 3.76Å; L92-N283 HydrophobicContact CD2-CB 4.02Å; H280-N283 HydrophobicContact CB-CB 4.26Å; H280-N283 WeakPolarHBondContact O-CB 3.33Å; H280-N283 PolarHBondContact O-N 3.23Å; C281-N283 VanDerWaalsContact C-N 3.32Å; C281-N283 PolarHBondContact O-N 2.81Å; N283-A287 VanDerWaalsContact O-CB 3.31Å; N283-A287 WeakPolarHBondContact O-CB 3.43Å; N283-A287 PolarHBondContact O-N 2.94Å; N283-A287 VanDerWaalsContact O-N 3.16Å
284V98.9Very high98.4Very high0 Ų018.8 Ų18.80%013%0.126CC..Hα-helixtrans-68.3-47.9179.9-175.10000110.6M85 V96 C281 A286 A287 V288 A371 V372M85-V284 HydrophobicContact CE-CG1 4.32Å; V96-V284 HydrophobicContact CG2-CG2 3.86Å; C281-V284 PolarHBondContact O-N 3.48Å; V284-A286 PolarHBondContact O-N 3.46Å; V284-A287 PolarHBondContact O-N 3.27Å; V284-V288 HydrophobicContact CG1-CG2 4.39Å; V284-V288 WeakPolarHBondContact O-CG2 3.46Å; V284-V288 PolarHBondContact O-N 3.33Å; V284-A371 HydrophobicContact CG1-CB 3.72Å; V284-V372 HydrophobicContact CB-CG2 3.97Å; V284-V372 HydrophobicContact CG1-CG2 4.02Å
285V98.9Very high98.6Very high0 Ų018.3 Ų18.30%012%0.122CC..Hα-helixtrans-57.7-51.7179.2168.60000110.8C281 A287 V288 F289 A299 M323 I368 V372C281-V285 WeakPolarHBondContact O-CB 3.17Å; C281-V285 WeakPolarHBondContact O-CG2 3.41Å; C281-V285 PolarHBondContact O-N 2.67Å; V285-A287 VanDerWaalsContact C-N 3.3Å; V285-A287 PolarHBondContact O-N 2.93Å; V285-V288 PolarHBondContact O-N 3.18Å; V285-F289 HydrophobicContact CG1-CD1 3.81Å; V285-F289 HydrophobicContact CG1-CD2 4.3Å; V285-F289 HydrophobicContact CG1-CE1 3.66Å; V285-F289 HydrophobicContact CG1-CE2 4.18Å; V285-F289 HydrophobicContact CG1-CG 4.14Å; V285-F289 HydrophobicContact CG1-CZ 3.88Å; V285-F289 WeakPolarHBondContact O-CB 3.49Å; V285-F289 WeakPolarHBondContact O-CD1 3.47Å; V285-F289 VanDerWaalsContact O-CG 3.3Å; V285-F289 WeakPolarHBondContact O-CG 3.44Å; V285-F289 PolarHBondContact O-N 3.21Å; V285-A299 HydrophobicContact CG1-CB 4.32Å; V285-M323 HydrophobicContact CG2-CE 3.72Å; V285-I368 HydrophobicContact CG2-CG2 4.2Å; V285-V372 HydrophobicContact CG2-CG2 4.07Å
286A98.8Very high98.6Very high42 Ų4222.9 Ų22.935%0.34715%0.145SC..Hα-helixtrans-60.1-40.9-179.600000112.2A282 V284 F289 A290A282-A286 WeakPolarHBondContact O-CB 3.35Å; A282-A286 PolarHBondContact O-N 3.01Å; V284-A286 PolarHBondContact O-N 3.46Å; A286-F289 PolarHBondContact O-N 3.22Å; A286-A290 WeakPolarHBondContact O-CB 3.3Å; A286-A290 PolarHBondContact O-N 3.07Å
287A98.9Very high98.7Very high3 Ų324 Ų243%0.02515%0.153CC..Hα-helixtrans-68.3-41.8-178.900000113M85 C86 L92 N283 V284 V285 A291M85-A287 HydrophobicContact CB-CB 4.07Å; M85-A287 HydrophobicContact CE-CB 3.59Å; M85-A287 HydrophobicContact CG-CB 4.44Å; C86-A287 PolarHBondContact N-O 3.46Å; C86-A287 VanDerWaalsContact O-CA 3.24Å; C86-A287 WeakPolarHBondContact O-CA 3.37Å; C86-A287 WeakPolarHBondContact O-CB 3.44Å; L92-A287 HydrophobicContact CD2-CB 4.06Å; N283-A287 VanDerWaalsContact O-CB 3.31Å; N283-A287 WeakPolarHBondContact O-CB 3.43Å; N283-A287 PolarHBondContact O-N 2.94Å; N283-A287 VanDerWaalsContact O-N 3.16Å; V284-A287 PolarHBondContact O-N 3.27Å; V285-A287 VanDerWaalsContact C-N 3.3Å; V285-A287 PolarHBondContact O-N 2.93Å; A287-A291 PolarHBondContact O-N 3.32Å
288V98.9Very high98.7Very high0 Ų022.1 Ų22.10%014%0.144CC..Hα-helixtrans-70.6-39.8175.3179.40000110.6I83 M85 V284 V285 A290 A291 T292 I368I83-V288 HydrophobicContact CG2-CG2 3.65Å; M85-V288 HydrophobicContact CG-CG2 4.24Å; V284-V288 HydrophobicContact CG1-CG2 4.39Å; V284-V288 WeakPolarHBondContact O-CG2 3.46Å; V284-V288 PolarHBondContact O-N 3.33Å; V285-V288 PolarHBondContact O-N 3.18Å; V288-A290 PolarHBondContact O-N 2.67Å; V288-A291 PolarHBondContact O-N 2.91Å; V288-T292 HydrophobicContact CG1-CG2 4.16Å; V288-T292 WeakPolarHBondContact O-CB 3.44Å; V288-T292 PolarHBondContact O-N 3.05Å; V288-T292 PolarHBondContact O-OG1 3.17Å; V288-I368 HydrophobicContact CB-CG1 4.43Å; V288-I368 HydrophobicContact CG1-CD1 4.22Å; V288-I368 HydrophobicContact CG1-CG1 3.78Å
289F98.9Very high98.6Very high0 Ų022 Ų220%015%0.146CC..Hα-helixtrans-59.5-46.8178.2-86.234.2000111.5V285 A286 A291 T292 G293 Q294 D295 L296 Q298 S302 V328 I368V285-F289 HydrophobicContact CG1-CD1 3.81Å; V285-F289 HydrophobicContact CG1-CD2 4.3Å; V285-F289 HydrophobicContact CG1-CE1 3.66Å; V285-F289 HydrophobicContact CG1-CE2 4.18Å; V285-F289 HydrophobicContact CG1-CG 4.14Å; V285-F289 HydrophobicContact CG1-CZ 3.88Å; V285-F289 WeakPolarHBondContact O-CB 3.49Å; V285-F289 WeakPolarHBondContact O-CD1 3.47Å; V285-F289 VanDerWaalsContact O-CG 3.3Å; V285-F289 WeakPolarHBondContact O-CG 3.44Å; V285-F289 PolarHBondContact O-N 3.21Å; A286-F289 PolarHBondContact O-N 3.22Å; F289-A291 VanDerWaalsContact C-N 3.34Å; F289-A291 PolarHBondContact O-N 3.46Å; F289-T292 PolarHBondContact O-N 3.37Å; F289-G293 PolarHBondContact O-N 3.31Å; F289-Q294 HydrophobicContact CB-CB 3.77Å; F289-Q294 HydrophobicContact CB-CG 4.2Å; F289-Q294 HydrophobicContact CD1-CB 4.06Å; F289-Q294 HydrophobicContact CD1-CG 3.95Å; F289-Q294 HydrophobicContact CD2-CB 3.59Å; F289-Q294 HydrophobicContact CD2-CG 4.38Å; F289-Q294 HydrophobicContact CE1-CG 4.38Å; F289-Q294 HydrophobicContact CE2-CB 4.1Å; F289-Q294 HydrophobicContact CG-CB 3.55Å; F289-Q294 HydrophobicContact CG-CG 3.94Å; F289-Q294 PolarHBondContact O-N 3Å; F289-D295 WeakPolarHBondContact CD2-O 3.26Å; F289-L296 HydrophobicContact CB-CD2 3.97Å; F289-Q298 HydrophobicContact CE2-CB 4.34Å; F289-S302 VanDerWaalsContact CZ-CB 3.49Å; F289-S302 WeakPolarHBondContact CZ-OG 3.44Å; F289-V328 HydrophobicContact CE1-CG1 3.59Å; F289-V328 HydrophobicContact CZ-CG1 3.64Å; F289-I368 HydrophobicContact CD1-CD1 4.46Å; F289-I368 HydrophobicContact CE1-CD1 4.03Å
290A98.7Very high98.6Very high21 Ų2124.3 Ų24.317%0.17416%0.158CC..Hα-helixtrans-62.8-39.1176.600000112.6C86 A286 V288 L296C86-A290 HydrophobicContact CB-CB 3.62Å; A286-A290 WeakPolarHBondContact O-CB 3.3Å; A286-A290 PolarHBondContact O-N 3.07Å; V288-A290 PolarHBondContact O-N 2.67Å; A290-L296 HydrophobicContact CB-CD2 3.84Å
291A98.8Very high98.6Very high2 Ų223.3 Ų23.32%0.01715%0.153CC..Hα-helixtrans-70-34.317800000112.7L68 P84 C86 A287 V288 F289 Q340 C343L68-A291 HydrophobicContact CD1-CB 3.92Å; P84-A291 HydrophobicContact CB-CB 3.97Å; C86-A291 HydrophobicContact CB-CB 4.25Å; A287-A291 PolarHBondContact O-N 3.32Å; V288-A291 PolarHBondContact O-N 2.91Å; F289-A291 VanDerWaalsContact C-N 3.34Å; F289-A291 PolarHBondContact O-N 3.46Å; A291-Q340 WeakPolarHBondContact O-CA 3.13Å; A291-C343 WeakPolarHBondContact O-CB 3.31Å; A291-C343 PolarHBondContact O-SG 3.39Å; A291-C343 VanDerWaalsContact O-SG 3.37Å
292T98.8Very high98.6Very high0 Ų023.3 Ų23.30%015%0.153CC..Hα-helixtrans-105.710.9-170.657.60000114.2V288 F289 Q294 C343 L344 L347V288-T292 HydrophobicContact CG1-CG2 4.16Å; V288-T292 WeakPolarHBondContact O-CB 3.44Å; V288-T292 PolarHBondContact O-N 3.05Å; V288-T292 PolarHBondContact O-OG1 3.17Å; F289-T292 PolarHBondContact O-N 3.37Å; T292-Q294 PolarHBondContact O-N 3.19Å; T292-Q294 PolarHBondContact O-NE2 3.38Å; T292-Q294 WeakPolarHBondContact OG1-CG 3.09Å; T292-C343 HydrophobicContact CG2-CB 4.22Å; T292-L344 HydrophobicContact CG2-CD2 4.01Å; T292-L344 HydrophobicContact CG2-CG 4.36Å; T292-L347 HydrophobicContact CG2-CD1 3.91Å
293G98.3Very high98.6Very high11 Ų1121.9 Ų21.911%0.11314%0.14CC..THydrogen-bonded Turntrans72.226.4173.300000115F289 G334 T335 Q340F289-G293 PolarHBondContact O-N 3.31Å; G293-G334 CarbonylContact O-C 3.07Å; G293-G334 WeakPolarHBondContact O-CA 3.25Å; G293-G334 PolarHBondContact O-N 3.15Å; G293-T335 PolarHBondContact O-N 3.12Å; G293-Q340 VanDerWaalsContact CA-CG 3.42Å
294Q98.7Very high98.6Very high17 Ų1719.4 Ų19.48%0.07913%0.127CC..  trans-79.2166175.1-47-58.7-61.100110.9F289 T292 L296 G329F289-Q294 HydrophobicContact CB-CB 3.77Å; F289-Q294 HydrophobicContact CB-CG 4.2Å; F289-Q294 HydrophobicContact CD1-CB 4.06Å; F289-Q294 HydrophobicContact CD1-CG 3.95Å; F289-Q294 HydrophobicContact CD2-CB 3.59Å; F289-Q294 HydrophobicContact CD2-CG 4.38Å; F289-Q294 HydrophobicContact CE1-CG 4.38Å; F289-Q294 HydrophobicContact CE2-CB 4.1Å; F289-Q294 HydrophobicContact CG-CB 3.55Å; F289-Q294 HydrophobicContact CG-CG 3.94Å; F289-Q294 PolarHBondContact O-N 3Å; T292-Q294 PolarHBondContact O-N 3.19Å; T292-Q294 PolarHBondContact O-NE2 3.38Å; T292-Q294 WeakPolarHBondContact OG1-CG 3.09Å; Q294-L296 PolarHBondContact O-N 2.89Å; Q294-G329 PolarHBondContact NE2-O 2.87Å; Q294-G329 PolarHBondContact OE1-O 3.33Å; Q294-G329 VanDerWaalsContact OE1-O 3.06Å
295D98.5Very high98.6Very high56 Ų5619.4 Ų19.430%0.29913%0.127SC..  trans-74.7108.7175.3-171.7-34.3000110.5K219 F289 A297 Q298K219-D295 WeakPolarHBondContact CE-OD2 3.25Å; K219-D295 IonicContact NZ-OD1 2.75Å; K219-D295 IonicContact NZ-OD2 2.73Å; K219-D295 PolarHBondContact NZ-OD2 2.91Å; F289-D295 WeakPolarHBondContact CD2-O 3.26Å; D295-A297 PolarHBondContact O-N 3.12Å; D295-A297 WeakPolarHBondContact OD1-CB 3.35Å; D295-A297 PolarHBondContact OD1-N 3.43Å; D295-Q298 HydrophobicContact CB-CB 4.36Å; D295-Q298 HydrophobicContact CB-CG 3.93Å; D295-Q298 WeakPolarHBondContact O-CB 3.39Å; D295-Q298 PolarHBondContact O-N 2.95Å
296L98.4Very high98.6Very high97 Ų9721.8 Ų21.851%0.50814%0.14SC..G310 helixtrans-59.8-29.1-177.9-62.3-178.3000113.3F289 A290 Q294 Q298 A299F289-L296 HydrophobicContact CB-CD2 3.97Å; A290-L296 HydrophobicContact CB-CD2 3.84Å; Q294-L296 PolarHBondContact O-N 2.89Å; L296-Q298 PolarHBondContact O-N 2.96Å; L296-A299 WeakPolarHBondContact O-CB 3.22Å; L296-A299 PolarHBondContact O-N 2.77Å; L296-A299 VanDerWaalsContact O-N 3.16Å
297A98.5Very high98.6Very high44 Ų4419.8 Ų19.836%0.36412%0.123SC..G310 helixtrans-71.7-19.5178.400000112.1K219 D295 A299 V300K219-A297 HydrophobicContact CB-CB 4.48Å; K219-A297 HydrophobicContact CD-CB 3.71Å; K219-A297 HydrophobicContact CG-CB 3.94Å; D295-A297 PolarHBondContact O-N 3.12Å; D295-A297 WeakPolarHBondContact OD1-CB 3.35Å; D295-A297 PolarHBondContact OD1-N 3.43Å; A297-A299 PolarHBondContact O-N 3.4Å; A297-V300 WeakPolarHBondContact O-CG2 3.06Å
298Q98.7Very high98.6Very high2 Ų223.7 Ų23.71%0.00914%0.14CC..G310 helixtrans-79.4-5.5174.4-64.1-175.2-41.100112.9M182 D218 K219 F289 D295 L296 V300 G301 S302 E327M182-Q298 VanDerWaalsContact CE-NE2 3.26Å; M182-Q298 PolarHBondContact SD-NE2 3.34Å; M182-Q298 VanDerWaalsContact SD-NE2 3.35Å; D218-Q298 PolarHBondContact OD1-NE2 3.1Å; D218-Q298 VanDerWaalsContact OD1-NE2 3.17Å; K219-Q298 HydrophobicContact CG-CG 4.06Å; F289-Q298 HydrophobicContact CE2-CB 4.34Å; D295-Q298 HydrophobicContact CB-CB 4.36Å; D295-Q298 HydrophobicContact CB-CG 3.93Å; D295-Q298 WeakPolarHBondContact O-CB 3.39Å; D295-Q298 PolarHBondContact O-N 2.95Å; L296-Q298 PolarHBondContact O-N 2.96Å; Q298-V300 PolarHBondContact O-N 2.97Å; Q298-V300 VanDerWaalsContact O-N 3.12Å; Q298-G301 PolarHBondContact O-N 2.97Å; Q298-S302 WeakPolarHBondContact O-CB 3.43Å; Q298-S302 PolarHBondContact O-N 2.68Å; Q298-S302 PolarHBondContact O-OG 3.01Å; Q298-E327 HydrophobicContact CB-CB 4.07Å; Q298-E327 WeakPolarHBondContact CB-OE1 3.47Å; Q298-E327 HydrophobicContact CG-CB 4.42Å; Q298-E327 WeakPolarHBondContact CG-OE1 3.36Å; Q298-E327 PolarHBondContact NE2-OE1 3.35Å; Q298-E327 PolarHBondContact OE1-O 3.49Å
299A98.2Very high98.6Very high18 Ų1823.9 Ų23.915%0.14914%0.14CC..Hα-helixtrans-56.1-26.1167.200000111.8V285 L296 A297 G301 S303V285-A299 HydrophobicContact CG1-CB 4.32Å; L296-A299 WeakPolarHBondContact O-CB 3.22Å; L296-A299 PolarHBondContact O-N 2.77Å; L296-A299 VanDerWaalsContact O-N 3.16Å; A297-A299 PolarHBondContact O-N 3.4Å; A299-G301 PolarHBondContact O-N 3.1Å; A299-S303 WeakPolarHBondContact O-CB 3.26Å; A299-S303 PolarHBondContact O-N 3.05Å; A299-S303 VanDerWaalsContact O-N 3.07Å; A299-S303 PolarHBondContact O-OG 2.98Å
300V98Very high98.5Very high72 Ų7227.3 Ų27.344%0.43616%0.156SC..Hα-helixtrans-58.5-48.9176178.70000112.1S221 A297 Q298S221-V300 VanDerWaalsContact N-CG1 3.33Å; A297-V300 WeakPolarHBondContact O-CG2 3.06Å; Q298-V300 PolarHBondContact O-N 2.97Å; Q298-V300 VanDerWaalsContact O-N 3.12Å
301G97.8Very high98.5Very high0 Ų030.4 Ų30.40%017%0.166CC..Hα-helixtrans-84-44178.200000112.1Q298 A299 S303 Q304 C325Q298-G301 PolarHBondContact O-N 2.97Å; A299-G301 PolarHBondContact O-N 3.1Å; G301-S303 PolarHBondContact O-N 3.38Å; G301-S303 VanDerWaalsContact O-N 3.07Å; G301-Q304 WeakPolarHBondContact O-CB 3.19Å; G301-Q304 WeakPolarHBondContact O-CG 3.36Å; G301-Q304 PolarHBondContact O-N 3.39Å; G301-C325 PolarHBondContact O-SG 3.26Å
302S98.7Very high98.5Very high0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-63.6-16.6-177.2-63.20000114.1F289 Q298 M323 C325 L326 E327F289-S302 VanDerWaalsContact CZ-CB 3.49Å; F289-S302 WeakPolarHBondContact CZ-OG 3.44Å; Q298-S302 WeakPolarHBondContact O-CB 3.43Å; Q298-S302 PolarHBondContact O-N 2.68Å; Q298-S302 PolarHBondContact O-OG 3.01Å; S302-M323 WeakPolarHBondContact O-CE 3.14Å; S302-C325 WeakPolarHBondContact CA-O 3.16Å; S302-L326 WeakPolarHBondContact O-CD2 3.29Å; S302-E327 PolarHBondContact OG-N 3.02Å
303S98.6Very high98.4Very high17 Ų1739 Ų3912%0.11921%0.212CC..THydrogen-bonded Turntrans-93.15.4175.9-50.70000114.2A282 A299 G301 C305A282-S303 VanDerWaalsContact CA-OG 3.27Å; A282-S303 WeakPolarHBondContact CA-OG 3.28Å; A299-S303 WeakPolarHBondContact O-CB 3.26Å; A299-S303 PolarHBondContact O-N 3.05Å; A299-S303 VanDerWaalsContact O-N 3.07Å; A299-S303 PolarHBondContact O-OG 2.98Å; G301-S303 PolarHBondContact O-N 3.38Å; G301-S303 VanDerWaalsContact O-N 3.07Å; S303-C305 PolarHBondContact O-N 3.25Å
304Q98.6Very high98.4Very high5 Ų545.5 Ų45.52%0.02324%0.239CC..  trans-68.6120168.7-66.1-172.9-5.300108.9S222 W226 G275 G301 C325S222-Q304 PolarHBondContact O-NE2 2.84Å; W226-Q304 VanDerWaalsContact CA-OE1 3.27Å; W226-Q304 HydrophobicContact CE3-CB 3.84Å; W226-Q304 HydrophobicContact CZ3-CB 4.08Å; G275-Q304 CarbonylContact O-C 3.54Å; G275-Q304 VanDerWaalsContact O-CA 3.23Å; G275-Q304 WeakPolarHBondContact O-CA 3.48Å; G301-Q304 WeakPolarHBondContact O-CB 3.19Å; G301-Q304 WeakPolarHBondContact O-CG 3.36Å; G301-Q304 PolarHBondContact O-N 3.39Å; Q304-C325 PolarHBondContact OE1-SG 2.9Å
305C98.8Very high98.3Very high0 Ų045.6 Ų45.60%025%0.246CC..EExtended strand (participates in β ladder)trans-152.5138.5-174.4-179.60000110.5G275 F277 N278 C281 S303 T322 M323G275-C305 PolarHBondContact O-N 2.96Å; F277-C305 CarbonylContact C-O 3.58Å; F277-C305 PolarHBondContact N-O 3.44Å; N278-C305 HydrophobicContact CB-CB 4.16Å; N278-C305 PolarHBondContact ND2-O 3.33Å; C281-C305 HydrophobicContact CB-CB 3.84Å; C281-C305 VanDerWaalsContact SG-CB 3.57Å; S303-C305 PolarHBondContact O-N 3.25Å; C305-T322 VanDerWaalsContact CA-O 3.3Å; C305-T322 WeakPolarHBondContact CA-O 3.4Å; C305-M323 HydrophobicContact CB-CG 4.01Å
306L98.8Very high98.3Very high51 Ų5144.8 Ų44.827%0.26724%0.241SC..EExtended strand (participates in β ladder)trans-105119.2164.917167000109W226 L265 F277 C321 T322W226-L306 HydrophobicContact CH2-CB 3.72Å; W226-L306 HydrophobicContact CZ2-CB 4.25Å; L265-L306 HydrophobicContact CD2-CD1 3.66Å; F277-L306 HydrophobicContact CB-CB 4.43Å; F277-L306 HydrophobicContact CB-CD1 3.54Å; F277-L306 HydrophobicContact CG-CD1 4.23Å; L306-C321 CarbonylContact O-C 3.52Å; L306-C321 WeakPolarHBondContact O-CA 3.29Å; L306-T322 PolarHBondContact N-O 3.16Å; L306-T322 PolarHBondContact O-N 3.34Å
307T98.9Very high98.2Very high0 Ų040.1 Ų40.10%022%0.217CC..EExtended strand (participates in β ladder)trans-99.6120.1170.7-57.70000109.2N260 F277 N278 I319 S320 C321 E376 L380N260-T307 PolarHBondContact ND2-O 2.97Å; N260-T307 PolarHBondContact OD1-O 2.91Å; F277-T307 PolarHBondContact O-N 3.01Å; N278-T307 WeakPolarHBondContact CB-OG1 3.36Å; T307-I319 HydrophobicContact CG2-CD1 4.47Å; T307-I319 HydrophobicContact CG2-CG1 4.44Å; T307-S320 WeakPolarHBondContact CA-O 3.43Å; T307-C321 PolarHBondContact OG1-SG 2.83Å; T307-E376 HydrophobicContact CG2-CB 4.15Å; T307-E376 HydrophobicContact CG2-CG 4.25Å; T307-E376 WeakPolarHBondContact OG1-CG 3.4Å; T307-E376 PolarHBondContact OG1-OE2 3.28Å; T307-E376 VanDerWaalsContact OG1-OE2 3.11Å; T307-L380 HydrophobicContact CG2-CD1 4.2Å
308F98.6Very high98.2Very high85 Ų8541.8 Ų41.837%0.37321%0.213SC..EExtended strand (participates in β ladder)trans-118.3145.8178.1-164.1-107.7000110.3L265 E310 I319 S320L265-F308 HydrophobicContact CD1-CD2 4.34Å; L265-F308 HydrophobicContact CD1-CE2 4.28Å; F308-E310 HydrophobicContact CE1-CB 4.11Å; F308-E310 HydrophobicContact CE1-CG 4.45Å; F308-I319 WeakPolarHBondContact O-CA 3.49Å; F308-S320 PolarHBondContact N-O 3.23Å; F308-S320 PolarHBondContact O-N 2.86Å
309M98.6Very high98.2Very high3 Ų341.7 Ų41.72%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-139.3132179.1-72.8-177.917300108.8L256 I257 N260 L317 R318 I319 L380L256-M309 HydrophobicContact CB-SD 4.11Å; I257-M309 HydrophobicContact CG1-CB 4.14Å; N260-M309 HydrophobicContact CB-CB 4.07Å; N260-M309 HydrophobicContact CB-CG 4.06Å; N260-M309 HydrophobicContact CB-SD 3.7Å; N260-M309 PolarHBondContact ND2-N 2.95Å; M309-L317 HydrophobicContact CB-CD1 4.13Å; M309-L317 HydrophobicContact CG-CD1 4.27Å; M309-L317 HydrophobicContact SD-CD1 4.34Å; M309-R318 VanDerWaalsContact CA-O 3.29Å; M309-R318 WeakPolarHBondContact CA-O 3.46Å; M309-I319 HydrophobicContact CE-CB 4.41Å; M309-I319 HydrophobicContact CE-CD1 3.42Å; M309-I319 VanDerWaalsContact CE-CD1 3.42Å; M309-I319 HydrophobicContact CE-CG1 3.84Å; M309-I319 HydrophobicContact CG-CB 4.21Å; M309-I319 HydrophobicContact CG-CG1 4Å; M309-L380 HydrophobicContact CE-CB 4.22Å; M309-L380 HydrophobicContact CE-CD1 3.34Å; M309-L380 HydrophobicContact CE-CG 4.41Å; M309-L380 HydrophobicContact SD-CD1 4.15Å
310E98.3Very high98.2Very high72 Ų7241.9 Ų41.934%0.33621%0.214SC..EExtended strand (participates in β ladder)trans-141.3165175.166.4-178.5-174.200110.7I257 F308 R318I257-E310 VanDerWaalsContact CD1-C 3.46Å; F308-E310 HydrophobicContact CE1-CB 4.11Å; F308-E310 HydrophobicContact CE1-CG 4.45Å; E310-R318 HydrophobicContact CG-CB 3.9Å; E310-R318 HydrophobicContact CG-CG 4.37Å; E310-R318 PolarHBondContact N-O 2.83Å; E310-R318 PolarHBondContact O-N 3.47Å; E310-R318 VanDerWaalsContact OE1-CD 3.28Å; E310-R318 WeakPolarHBondContact OE1-CD 3.04Å; E310-R318 IonicContact OE1-CZ 2.77Å; E310-R318 IonicContact OE1-NE 3.56Å; E310-R318 IonicContact OE1-NH1 3.22Å; E310-R318 PolarHBondContact OE1-NH1 3.25Å
311K98.4Very high98.3Very high87 Ų8738.5 Ų38.538%0.37819%0.193SC..EExtended strand (participates in β ladder)trans-95.7130.9174.9-176.4178.7-83.7174.50107.9V253 D254 I257 D316V253-K311 HydrophobicContact CG1-CB 4.16Å; V253-K311 HydrophobicContact CG1-CG 4.12Å; D254-K311 VanDerWaalsContact OD1-CE 3.28Å; D254-K311 WeakPolarHBondContact OD1-CE 3.34Å; D254-K311 IonicContact OD1-NZ 2.63Å; D254-K311 PolarHBondContact OD1-NZ 3.42Å; D254-K311 IonicContact OD2-NZ 2.73Å; D254-K311 PolarHBondContact OD2-NZ 3.37Å; I257-K311 HydrophobicContact CD1-CB 3.64Å; I257-K311 VanDerWaalsContact CD1-N 3.32Å; K311-D316 CarbonylContact C-O 3.53Å; K311-D316 VanDerWaalsContact CA-O 3.31Å; K311-D316 WeakPolarHBondContact CA-O 3.04Å
312T98.2Very high98.3Very high15 Ų1540.4 Ų40.49%0.09220%0.204CC..  trans-74.8169.7173.177.50000110.8I239 E314 G315 D316 R318I239-T312 HydrophobicContact CG2-CG2 4.17Å; T312-E314 VanDerWaalsContact CB-OE2 3.32Å; T312-E314 WeakPolarHBondContact CB-OE2 3.42Å; T312-E314 PolarHBondContact O-N 2.9Å; T312-E314 PolarHBondContact OG1-N 3.15Å; T312-E314 PolarHBondContact OG1-OE2 2.78Å; T312-G315 PolarHBondContact O-N 3.49Å; T312-D316 HydrophobicContact CG2-CB 4.27Å; T312-D316 PolarHBondContact N-O 3.45Å; T312-D316 WeakPolarHBondContact OG1-CB 3.48Å; T312-D316 PolarHBondContact OG1-N 2.79Å; T312-R318 HydrophobicContact CG2-CB 4.01Å
313D97.2Very high98.3Very high168 Ų16840.4 Ų40.490%0.89820%0.204SC*.THydrogen-bonded Turntrans-61.5-28.3177.4-67-29.1000112.3G315D313-G315 PolarHBondContact O-N 2.87Å
314E96.7Very high98.3Very high146 Ų14640.1 Ų40.168%0.68220%0.203SC*.THydrogen-bonded Turntrans-78.1-6.4175.8-57.274.8-160.900113.5T312T312-E314 VanDerWaalsContact CB-OE2 3.32Å; T312-E314 WeakPolarHBondContact CB-OE2 3.42Å; T312-E314 PolarHBondContact O-N 2.9Å; T312-E314 PolarHBondContact OG1-N 3.15Å; T312-E314 PolarHBondContact OG1-OE2 2.78Å
315G97.5Very high98.3Very high20 Ų2040 Ų4021%0.20620%0.202CC..SBendtrans89.75-177.400000114.7T312 D313T312-G315 PolarHBondContact O-N 3.49Å; D313-G315 PolarHBondContact O-N 2.87Å
316D97.7Very high98.3Very high38 Ų3840 Ų4020%0.20320%0.202CC..PPolyproline II helixtrans-79.2162.6-179.2-67.2-22.4000111.8I239 L240 P241 D242 K311 T312I239-D316 HydrophobicContact CG2-CB 4.02Å; L240-D316 WeakPolarHBondContact O-CB 3.41Å; P241-D316 VanDerWaalsContact CA-OD1 3.23Å; P241-D316 WeakPolarHBondContact CA-OD1 3.48Å; D242-D316 PolarHBondContact N-OD1 3.02Å; K311-D316 CarbonylContact C-O 3.53Å; K311-D316 VanDerWaalsContact CA-O 3.31Å; K311-D316 WeakPolarHBondContact CA-O 3.04Å; T312-D316 HydrophobicContact CG2-CB 4.27Å; T312-D316 PolarHBondContact N-O 3.45Å; T312-D316 WeakPolarHBondContact OG1-CB 3.48Å; T312-D316 PolarHBondContact OG1-N 2.79Å
317L98.1Very high98.3Very high0 Ų037.5 Ų37.50%019%0.189CC..EExtended strand (participates in β ladder)trans-88.3116.6174.8176.271.5000109.7I239 L240 V245 V253 L256 I257 M309 L377I239-L317 CarbonylContact C-O 3.56Å; I239-L317 WeakPolarHBondContact CA-O 3.37Å; L240-L317 HydrophobicContact CB-CB 4.37Å; L240-L317 PolarHBondContact N-O 3.07Å; L240-L317 PolarHBondContact O-N 2.82Å; V245-L317 HydrophobicContact CG2-CB 3.99Å; V245-L317 HydrophobicContact CG2-CD2 4.23Å; V253-L317 HydrophobicContact CG1-CB 4.11Å; V253-L317 HydrophobicContact CG1-CD1 4.21Å; V253-L317 HydrophobicContact CG2-CB 4.15Å; L256-L317 HydrophobicContact CB-CD1 4.47Å; L256-L317 HydrophobicContact CD1-CD2 3.63Å; I257-L317 HydrophobicContact CG1-CD1 4.1Å; M309-L317 HydrophobicContact CB-CD1 4.13Å; M309-L317 HydrophobicContact CG-CD1 4.27Å; M309-L317 HydrophobicContact SD-CD1 4.34Å; L317-L377 HydrophobicContact CD2-CD1 3.93Å
318R98.3Very high98.3Very high78 Ų7837.5 Ų37.529%0.29419%0.189SC..EExtended strand (participates in β ladder)trans-91.2127.9160-179.1-177.5-80.4145.30.7109E237 I239 M309 E310 T312E237-R318 HydrophobicContact CG-CG 3.95Å; E237-R318 WeakPolarHBondContact OE1-CD 3.38Å; E237-R318 IonicContact OE1-CZ 2.74Å; E237-R318 IonicContact OE1-NE 2.79Å; E237-R318 PolarHBondContact OE1-NE 3.04Å; E237-R318 IonicContact OE1-NH2 3.74Å; E237-R318 IonicContact OE2-NE 3.92Å; I239-R318 HydrophobicContact CG1-CB 4.34Å; I239-R318 HydrophobicContact CG1-CG 4.3Å; M309-R318 VanDerWaalsContact CA-O 3.29Å; M309-R318 WeakPolarHBondContact CA-O 3.46Å; E310-R318 HydrophobicContact CG-CB 3.9Å; E310-R318 HydrophobicContact CG-CG 4.37Å; E310-R318 PolarHBondContact N-O 2.83Å; E310-R318 PolarHBondContact O-N 3.47Å; E310-R318 VanDerWaalsContact OE1-CD 3.28Å; E310-R318 WeakPolarHBondContact OE1-CD 3.04Å; E310-R318 IonicContact OE1-CZ 2.77Å; E310-R318 IonicContact OE1-NE 3.56Å; E310-R318 IonicContact OE1-NH1 3.22Å; E310-R318 PolarHBondContact OE1-NH1 3.25Å; T312-R318 HydrophobicContact CG2-CB 4.01Å
319I98.5Very high98.3Very high0 Ų033.5 Ų33.50%017%0.172CC..EExtended strand (participates in β ladder)trans-120.8137.4171.8-178-177.1000108.9E237 A238 L240 T307 F308 M309 L373 E376 L377E237-I319 WeakPolarHBondContact CA-O 3.33Å; A238-I319 HydrophobicContact CB-CG2 3.97Å; A238-I319 PolarHBondContact N-O 3.23Å; A238-I319 PolarHBondContact O-N 3.27Å; L240-I319 HydrophobicContact CD1-CG2 3.96Å; T307-I319 HydrophobicContact CG2-CD1 4.47Å; T307-I319 HydrophobicContact CG2-CG1 4.44Å; F308-I319 WeakPolarHBondContact O-CA 3.49Å; M309-I319 HydrophobicContact CE-CB 4.41Å; M309-I319 HydrophobicContact CE-CD1 3.42Å; M309-I319 VanDerWaalsContact CE-CD1 3.42Å; M309-I319 HydrophobicContact CE-CG1 3.84Å; M309-I319 HydrophobicContact CG-CB 4.21Å; M309-I319 HydrophobicContact CG-CG1 4Å; I319-L373 HydrophobicContact CD1-CD2 4.26Å; I319-L373 HydrophobicContact CD1-CG 4.16Å; I319-L373 HydrophobicContact CG1-CG 4.35Å; I319-L373 HydrophobicContact CG2-CD1 4.41Å; I319-L373 HydrophobicContact CG2-CD2 3.84Å; I319-L373 HydrophobicContact CG2-CG 4.25Å; I319-E376 HydrophobicContact CD1-CB 4.45Å; I319-L377 HydrophobicContact CD1-CB 3.98Å; I319-L377 HydrophobicContact CD1-CD1 4.32Å
320S98.7Very high98.3Very high23 Ų2333.5 Ų33.516%0.16117%0.172CC..EExtended strand (participates in β ladder)trans-132.7152.6170.963.80000112.3G236 T307 F308G236-S320 CarbonylContact O-C 3.59Å; G236-S320 WeakPolarHBondContact O-CA 3.44Å; G236-S320 WeakPolarHBondContact O-CB 3.4Å; T307-S320 WeakPolarHBondContact CA-O 3.43Å; F308-S320 PolarHBondContact N-O 3.23Å; F308-S320 PolarHBondContact O-N 2.86Å
321C98.9Very high98.3Very high0 Ų032.3 Ų32.30%017%0.169CC..EExtended strand (participates in β ladder)trans-130125.4172.2-750000108.8T235 G236 L306 T307 C369 L373T235-C321 CarbonylContact C-O 3.5Å; T235-C321 VanDerWaalsContact CA-O 3.31Å; T235-C321 WeakPolarHBondContact CA-O 3.38Å; T235-C321 PolarHBondContact OG1-O 3.36Å; G236-C321 PolarHBondContact N-O 2.92Å; G236-C321 PolarHBondContact O-N 3.21Å; L306-C321 CarbonylContact O-C 3.52Å; L306-C321 WeakPolarHBondContact O-CA 3.29Å; T307-C321 PolarHBondContact OG1-SG 2.83Å; C321-C369 PolarHBondContact O-SG 2.94Å; C321-L373 HydrophobicContact CB-CB 4.25Å
322T98.9Very high98.1Very high40 Ų4030.8 Ų30.825%0.24518%0.178CC..EExtended strand (participates in β ladder)trans-116.2119.2176.3-53.30000109.8L111 T235 C305 L306L111-T322 HydrophobicContact CD1-CG2 4.48Å; T235-T322 PolarHBondContact OG1-OG1 3.4Å; C305-T322 VanDerWaalsContact CA-O 3.3Å; C305-T322 WeakPolarHBondContact CA-O 3.4Å; L306-T322 PolarHBondContact N-O 3.16Å; L306-T322 PolarHBondContact O-N 3.34Å
323M98.8Very high98Very high0 Ų032.8 Ų32.80%020%0.202CC..EExtended strand (participates in β ladder)trans-117.796.6-177.4-57.2-177.169.600109.2S233 V234 C281 V285 S302 C305 C325 L326 I368 C369 V372S233-M323 WeakPolarHBondContact CA-O 3.44Å; V234-M323 HydrophobicContact CG1-CB 4.04Å; V234-M323 PolarHBondContact N-O 3.34Å; V234-M323 PolarHBondContact O-N 2.83Å; C281-M323 WeakPolarHBondContact SG-CE 3.15Å; V285-M323 HydrophobicContact CG2-CE 3.72Å; S302-M323 WeakPolarHBondContact O-CE 3.14Å; C305-M323 HydrophobicContact CB-CG 4.01Å; M323-C325 VanDerWaalsContact C-N 3.32Å; M323-C325 PolarHBondContact O-N 3.25Å; M323-L326 HydrophobicContact CB-CD1 4.18Å; M323-L326 HydrophobicContact CB-CG 4.11Å; M323-L326 HydrophobicContact CE-CD1 4.04Å; M323-L326 HydrophobicContact CE-CD2 3.47Å; M323-L326 VanDerWaalsContact CE-CD2 3.47Å; M323-L326 HydrophobicContact CE-CG 3.79Å; M323-L326 HydrophobicContact SD-CD1 4Å; M323-L326 HydrophobicContact SD-CD2 4.48Å; M323-L326 HydrophobicContact SD-CG 4.36Å; M323-I368 HydrophobicContact CE-CG2 4.46Å; M323-C369 HydrophobicContact SD-CB 4.25Å; M323-V372 HydrophobicContact CE-CG2 4.07Å; M323-V372 HydrophobicContact SD-CB 4.07Å; M323-V372 HydrophobicContact SD-CG1 4.21Å; M323-V372 HydrophobicContact SD-CG2 3.86Å
324P98.5Very high98Very high12 Ų1225.7 Ų25.78%0.07817%0.169CC..EExtended strand (participates in β ladder)trans-77.8-15.3-169.529-34.3000114.2W226 G229 R230 S233W226-P324 HydrophobicContact CD2-CG 4.25Å; W226-P324 HydrophobicContact CE3-CG 3.38Å; W226-P324 HydrophobicContact CH2-CG 4.47Å; W226-P324 HydrophobicContact CZ3-CG 3.52Å; G229-P324 WeakPolarHBondContact CA-O 3.41Å; R230-P324 PolarHBondContact N-O 2.85Å; S233-P324 WeakPolarHBondContact CB-O 3.36Å; S233-P324 WeakPolarHBondContact OG-CA 3.45Å
325C98.3Very high98Very high1 Ų119.2 Ų19.21%0.00714%0.139CC..EExtended strand (participates in β ladder)trans-140.253.8-172560000115.4N225 R230 G301 S302 Q304 M323 E327N225-C325 HydrophobicContact CB-CB 4.11Å; R230-C325 HydrophobicContact CB-CB 3.95Å; R230-C325 CarbonylContact O-C 3.52Å; R230-C325 WeakPolarHBondContact O-CA 3.31Å; R230-C325 VanDerWaalsContact O-CB 3.29Å; R230-C325 WeakPolarHBondContact O-CB 3.48Å; G301-C325 PolarHBondContact O-SG 3.26Å; S302-C325 WeakPolarHBondContact CA-O 3.16Å; Q304-C325 PolarHBondContact OE1-SG 2.9Å; M323-C325 VanDerWaalsContact C-N 3.32Å; M323-C325 PolarHBondContact O-N 3.25Å; C325-E327 PolarHBondContact O-N 3.24Å
326L98.5Very high97.9Very high0 Ų020.5 Ų20.50%015%0.153CC..EExtended strand (participates in β ladder)trans-74113.9171.5-83.4174.3000111.8R232 V234 S302 M323 V328 I368R232-L326 HydrophobicContact CB-CB 4.49Å; R232-L326 PolarHBondContact N-O 2.82Å; R232-L326 WeakPolarHBondContact O-CB 3.23Å; R232-L326 PolarHBondContact O-N 3.48Å; V234-L326 HydrophobicContact CG1-CD1 3.51Å; S302-L326 WeakPolarHBondContact O-CD2 3.29Å; M323-L326 HydrophobicContact CB-CD1 4.18Å; M323-L326 HydrophobicContact CB-CG 4.11Å; M323-L326 HydrophobicContact CE-CD1 4.04Å; M323-L326 HydrophobicContact CE-CD2 3.47Å; M323-L326 VanDerWaalsContact CE-CD2 3.47Å; M323-L326 HydrophobicContact CE-CG 3.79Å; M323-L326 HydrophobicContact SD-CD1 4Å; M323-L326 HydrophobicContact SD-CD2 4.48Å; M323-L326 HydrophobicContact SD-CG 4.36Å; L326-V328 PolarHBondContact O-N 3.5Å; L326-I368 HydrophobicContact CD1-CB 4.38Å; L326-I368 HydrophobicContact CD1-CG2 4.11Å; L326-I368 HydrophobicContact CD2-CG2 3.88Å
327E98.7Very high97.8Very high0 Ų019.7 Ų19.70%015%0.148CC..  trans-97.582.2-178.8-57.5162.556.600109.8M115 M182 R230 Q298 S302 C325M115-E327 HydrophobicContact CE-CB 4.12Å; M115-E327 HydrophobicContact CE-CG 4.09Å; M182-E327 HydrophobicContact CG-CB 4.41Å; R230-E327 IonicContact CZ-OE1 3.28Å; R230-E327 IonicContact NH1-OE1 3.16Å; R230-E327 PolarHBondContact NH1-OE1 3.06Å; R230-E327 IonicContact NH1-OE2 3.23Å; R230-E327 PolarHBondContact NH1-OE2 3.08Å; R230-E327 IonicContact NH2-OE1 3.77Å; Q298-E327 HydrophobicContact CB-CB 4.07Å; Q298-E327 WeakPolarHBondContact CB-OE1 3.47Å; Q298-E327 HydrophobicContact CG-CB 4.42Å; Q298-E327 WeakPolarHBondContact CG-OE1 3.36Å; Q298-E327 PolarHBondContact NE2-OE1 3.35Å; Q298-E327 PolarHBondContact OE1-O 3.49Å; S302-E327 PolarHBondContact OG-N 3.02Å; C325-E327 PolarHBondContact O-N 3.24Å
328V98.6Very high97.7Very high0 Ų025.2 Ų25.20%018%0.177CC..  trans-122.9157.8-174-61.60000112.7M182 R232 F289 L326 L364 I368M182-V328 VanDerWaalsContact CA-O 3.32Å; M182-V328 WeakPolarHBondContact CA-O 3.36Å; R232-V328 PolarHBondContact NH1-O 2.95Å; F289-V328 HydrophobicContact CE1-CG1 3.59Å; F289-V328 HydrophobicContact CZ-CG1 3.64Å; L326-V328 PolarHBondContact O-N 3.5Å; V328-L364 HydrophobicContact CB-CD2 4.13Å; V328-I368 HydrophobicContact CG1-CD1 3.72Å
329G98.4Very high97.7Very high1 Ų124.6 Ų24.61%0.0119%0.188CC..  trans-154.5159.8173.900000111.6D180 Q294D180-G329 CarbonylContact O-C 3.56Å; D180-G329 VanDerWaalsContact O-CA 3.29Å; D180-G329 WeakPolarHBondContact O-CA 3.34Å; Q294-G329 PolarHBondContact NE2-O 2.87Å; Q294-G329 PolarHBondContact OE1-O 3.33Å; Q294-G329 VanDerWaalsContact OE1-O 3.06Å
330T98.7Very high97.7Very high2 Ų226.8 Ų26.81%0.01220%0.199CC..SBendtrans-1202178.959.70000112.4D180 T335 L344 C349 G351 N360 A361 L364D180-T330 WeakPolarHBondContact CB-OG1 3.35Å; D180-T330 PolarHBondContact O-N 2.87Å; T330-T335 PolarHBondContact O-OG1 3.32Å; T330-L344 HydrophobicContact CG2-CD2 4.16Å; T330-C349 WeakPolarHBondContact CB-O 3.46Å; T330-C349 HydrophobicContact CG2-CB 4.15Å; T330-C349 WeakPolarHBondContact CG2-O 3.37Å; T330-G351 WeakPolarHBondContact O-CA 3.4Å; T330-G351 PolarHBondContact O-N 2.91Å; T330-G351 VanDerWaalsContact O-N 3.17Å; T330-G351 PolarHBondContact OG1-O 3.41Å; T330-N360 HydrophobicContact CG2-CB 4.11Å; T330-N360 WeakPolarHBondContact OG1-CB 3.14Å; T330-A361 HydrophobicContact CG2-CB 4.36Å; T330-L364 HydrophobicContact CG2-CB 4.17Å; T330-L364 HydrophobicContact CG2-CD2 3.87Å
331V97.7Very high97.6Very high47 Ų4730.2 Ų30.229%0.28521%0.211SC..BIsolated β-bridgetrans-133.8145.5167.9-62.20000110.8D180 A181 T335 S352D180-V331 HydrophobicContact CB-CG2 4.11Å; D180-V331 PolarHBondContact O-N 3.22Å; A181-V331 HydrophobicContact CB-CG2 3.87Å; V331-T335 VanDerWaalsContact C-OG1 3.31Å; V331-T335 VanDerWaalsContact CA-OG1 3.31Å; V331-T335 WeakPolarHBondContact CA-OG1 3.4Å; V331-S352 VanDerWaalsContact CG1-N 3.32Å
332G95.8Very high97.6Very high55 Ų5532.1 Ų32.157%0.56723%0.227SC*.SBendtrans85.5162.117700000114.3T335G332-T335 PolarHBondContact N-OG1 2.77Å; G332-T335 WeakPolarHBondContact O-CG2 3.47Å; G332-T335 PolarHBondContact O-N 2.8Å; G332-T335 PolarHBondContact O-OG1 3.39Å; G332-T335 VanDerWaalsContact O-OG1 3.08Å
333G95.3Very high97.6Very high57 Ų5730.5 Ų30.559%0.58822%0.217SC*.G310 helixtrans58.3-138.9-175.700000111.8T335G333-T335 PolarHBondContact O-N 3.15Å; G333-T335 VanDerWaalsContact O-N 3.16Å
334G97.1Very high97.6Very high20 Ų2030.6 Ų30.621%0.20622%0.217CC..G310 helixtrans-69.1-8.7-176.900000115.3G293 G336 L337 Q340G293-G334 CarbonylContact O-C 3.07Å; G293-G334 WeakPolarHBondContact O-CA 3.25Å; G293-G334 PolarHBondContact O-N 3.15Å; G334-G336 PolarHBondContact O-N 2.97Å; G334-L337 WeakPolarHBondContact O-CB 3.16Å; G334-L337 PolarHBondContact O-N 3.01Å; G334-Q340 WeakPolarHBondContact O-CB 3.32Å
335T97.8Very high97.6Very high10 Ų1035.2 Ų35.26%0.06124%0.238CC..G310 helixtrans-70.2-15.9-178.477.60000113G293 T330 V331 G332 G333 L344G293-T335 PolarHBondContact O-N 3.12Å; T330-T335 PolarHBondContact O-OG1 3.32Å; V331-T335 VanDerWaalsContact C-OG1 3.31Å; V331-T335 VanDerWaalsContact CA-OG1 3.31Å; V331-T335 WeakPolarHBondContact CA-OG1 3.4Å; G332-T335 PolarHBondContact N-OG1 2.77Å; G332-T335 WeakPolarHBondContact O-CG2 3.47Å; G332-T335 PolarHBondContact O-N 2.8Å; G332-T335 PolarHBondContact O-OG1 3.39Å; G332-T335 VanDerWaalsContact O-OG1 3.08Å; G333-T335 PolarHBondContact O-N 3.15Å; G333-T335 VanDerWaalsContact O-N 3.16Å; T335-L344 HydrophobicContact CG2-CD1 4.06Å
336G95.1Very high97.6Very high47 Ų4740.1 Ų40.149%0.48526%0.263SS..G310 helixtrans-81.9-18.2176.900000114G334G334-G336 PolarHBondContact O-N 2.97Å
337L96.2Very high97.6Very high20 Ų2040.5 Ų40.511%0.10527%0.265CS..SBendtrans-66137.9178.2-58.8179.9000110S51 V52 G334 A339 Q340 K341S51-L337 WeakPolarHBondContact OG-CD2 3.31Å; V52-L337 HydrophobicContact CG2-CD2 3.76Å; G334-L337 WeakPolarHBondContact O-CB 3.16Å; G334-L337 PolarHBondContact O-N 3.01Å; L337-A339 PolarHBondContact O-N 2.78Å; L337-Q340 HydrophobicContact CB-CB 4.38Å; L337-Q340 PolarHBondContact O-N 3.45Å; L337-Q340 VanDerWaalsContact O-N 3.15Å; L337-K341 WeakPolarHBondContact O-CB 3.4Å; L337-K341 PolarHBondContact O-N 3.39Å
338L95.7Very high97.5Very high116 Ų11643.3 Ų43.361%0.60729%0.294SS*.Hα-helixtrans-54.7-46.7-168-65.4175.8000113.8K341 A342L338-K341 PolarHBondContact O-N 3.17Å; L338-A342 WeakPolarHBondContact O-CB 3.29Å; L338-A342 PolarHBondContact O-N 2.82Å
339A97.1Very high97.5Very high65 Ų6543.3 Ų43.354%0.53729%0.294SS..Hα-helixtrans-67.9-40.5-178.400000112.3L337 A342 C343L337-A339 PolarHBondContact O-N 2.78Å; A339-A342 PolarHBondContact O-N 2.93Å; A339-C343 PolarHBondContact O-N 2.92Å; A339-C343 VanDerWaalsContact O-N 3.08Å; A339-C343 PolarHBondContact O-SG 2.78Å
340Q98.2Very high97.5Very high47 Ų4744.6 Ų44.622%0.2230%0.304CS..Hα-helixtrans-69.2-40.5178.2-73.372.410.600111.4A291 G293 G334 L337 C343 L344A291-Q340 WeakPolarHBondContact O-CA 3.13Å; G293-Q340 VanDerWaalsContact CA-CG 3.42Å; G334-Q340 WeakPolarHBondContact O-CB 3.32Å; L337-Q340 HydrophobicContact CB-CB 4.38Å; L337-Q340 PolarHBondContact O-N 3.45Å; L337-Q340 VanDerWaalsContact O-N 3.15Å; Q340-C343 WeakPolarHBondContact O-CB 3.49Å; Q340-C343 PolarHBondContact O-N 3.21Å; Q340-L344 PolarHBondContact O-N 3.1Å
341K98.1Very high97.4Very high95 Ų9545.8 Ų45.841%0.41332%0.317SS..Hα-helixtrans-60.5-45.7172.6-172.8-175.7176-166.30111L337 L338 C343 L344 E345L337-K341 WeakPolarHBondContact O-CB 3.4Å; L337-K341 PolarHBondContact O-N 3.39Å; L338-K341 PolarHBondContact O-N 3.17Å; K341-C343 VanDerWaalsContact C-N 3.28Å; K341-C343 PolarHBondContact O-N 3.07Å; K341-L344 CarbonylContact O-C 3.39Å; K341-L344 WeakPolarHBondContact O-CA 3.4Å; K341-L344 WeakPolarHBondContact O-CB 3.25Å; K341-L344 PolarHBondContact O-N 3.02Å; K341-E345 VanDerWaalsContact CE-OE1 3.25Å; K341-E345 WeakPolarHBondContact CE-OE1 3.41Å; K341-E345 IonicContact NZ-OE1 2.76Å; K341-E345 WeakPolarHBondContact O-CG 3.35Å; K341-E345 PolarHBondContact O-N 3.47Å
342A98.4Very high97.4Very high40 Ų4046.4 Ų46.433%0.33132%0.324SS..Hα-helixtrans-59.6-38.8175.800000112L338 A339 L344 E345 I346L338-A342 WeakPolarHBondContact O-CB 3.29Å; L338-A342 PolarHBondContact O-N 2.82Å; A339-A342 PolarHBondContact O-N 2.93Å; A342-L344 VanDerWaalsContact C-N 3.35Å; A342-L344 PolarHBondContact O-N 3.41Å; A342-E345 PolarHBondContact O-N 2.82Å; A342-I346 WeakPolarHBondContact O-CG1 3.45Å; A342-I346 PolarHBondContact O-N 3Å
343C98.8Very high97.3Very high6 Ų644.6 Ų44.64%0.04130%0.302CS..Hα-helixtrans-64.4-37.9173.8-67.90000112.6P84 A291 T292 A339 Q340 K341 L347P84-C343 HydrophobicContact CB-CB 3.96Å; P84-C343 HydrophobicContact CG-CB 3.93Å; A291-C343 WeakPolarHBondContact O-CB 3.31Å; A291-C343 PolarHBondContact O-SG 3.39Å; A291-C343 VanDerWaalsContact O-SG 3.37Å; T292-C343 HydrophobicContact CG2-CB 4.22Å; A339-C343 PolarHBondContact O-N 2.92Å; A339-C343 VanDerWaalsContact O-N 3.08Å; A339-C343 PolarHBondContact O-SG 2.78Å; Q340-C343 WeakPolarHBondContact O-CB 3.49Å; Q340-C343 PolarHBondContact O-N 3.21Å; K341-C343 VanDerWaalsContact C-N 3.28Å; K341-C343 PolarHBondContact O-N 3.07Å; C343-L347 WeakPolarHBondContact O-CG 3.47Å; C343-L347 PolarHBondContact O-N 3.4Å
344L98.8Very high97Very high1 Ų148.2 Ų48.21%0.00531%0.308CS..Hα-helixtrans-68.2-34.3172.8-72.1169.8000112.5T292 T330 T335 Q340 K341 A342 L347 G348 C349 A350 L364T292-L344 HydrophobicContact CG2-CD2 4.01Å; T292-L344 HydrophobicContact CG2-CG 4.36Å; T330-L344 HydrophobicContact CG2-CD2 4.16Å; T335-L344 HydrophobicContact CG2-CD1 4.06Å; Q340-L344 PolarHBondContact O-N 3.1Å; K341-L344 CarbonylContact O-C 3.39Å; K341-L344 WeakPolarHBondContact O-CA 3.4Å; K341-L344 WeakPolarHBondContact O-CB 3.25Å; K341-L344 PolarHBondContact O-N 3.02Å; A342-L344 VanDerWaalsContact C-N 3.35Å; A342-L344 PolarHBondContact O-N 3.41Å; L344-L347 CarbonylContact O-C 3.57Å; L344-L347 PolarHBondContact O-N 2.94Å; L344-G348 PolarHBondContact O-N 3.27Å; L344-C349 HydrophobicContact CD2-CB 4.47Å; L344-C349 PolarHBondContact O-N 3.31Å; L344-A350 HydrophobicContact CB-CB 3.77Å; L344-A350 PolarHBondContact O-N 2.9Å; L344-L364 HydrophobicContact CD2-CD1 4.24Å; L344-L364 HydrophobicContact CD2-CD2 3.87Å
345E98.4Very high96.8Very high110 Ų11052.8 Ų52.851%0.51434%0.337SS..Hα-helixtrans-66.8-41.1175.3-71.7171.4175.900111.2K341 A342 L347 G348 A350K341-E345 VanDerWaalsContact CE-OE1 3.25Å; K341-E345 WeakPolarHBondContact CE-OE1 3.41Å; K341-E345 IonicContact NZ-OE1 2.76Å; K341-E345 WeakPolarHBondContact O-CG 3.35Å; K341-E345 PolarHBondContact O-N 3.47Å; A342-E345 PolarHBondContact O-N 2.82Å; E345-L347 PolarHBondContact O-N 3.06Å; E345-G348 PolarHBondContact O-N 3.21Å; E345-A350 HydrophobicContact CB-CB 4.34Å; E345-A350 HydrophobicContact CG-CB 3.45Å; E345-A350 VanDerWaalsContact CG-CB 3.45Å
346I98.4Very high96.7Very high103 Ų10354.7 Ų54.753%0.52835%0.35SS..Hα-helixtrans-56.1-36.8172.3-70.9166.1000111.3Y82 P84 A342 G348Y82-I346 WeakPolarHBondContact O-CG2 3.45Å; P84-I346 HydrophobicContact CG-CB 4.34Å; P84-I346 HydrophobicContact CG-CG2 4.09Å; A342-I346 WeakPolarHBondContact O-CG1 3.45Å; A342-I346 PolarHBondContact O-N 3Å; I346-G348 VanDerWaalsContact C-N 3.3Å
347L98.4Very high96.8Very high8 Ų855.4 Ų55.44%0.04235%0.346CS..THydrogen-bonded Turntrans-82.5-2.9177.2-66.6179.6000113.9P84 T292 C343 L344 E345 C349 L364 I367P84-L347 HydrophobicContact CG-CG 4.43Å; T292-L347 HydrophobicContact CG2-CD1 3.91Å; C343-L347 WeakPolarHBondContact O-CG 3.47Å; C343-L347 PolarHBondContact O-N 3.4Å; L344-L347 CarbonylContact O-C 3.57Å; L344-L347 PolarHBondContact O-N 2.94Å; E345-L347 PolarHBondContact O-N 3.06Å; L347-C349 HydrophobicContact CB-CB 4.34Å; L347-C349 PolarHBondContact O-N 3.47Å; L347-C349 PolarHBondContact O-SG 2.81Å; L347-L364 HydrophobicContact CD1-CD1 3.82Å; L347-I367 HydrophobicContact CB-CD1 4.21Å; L347-I367 HydrophobicContact CD1-CG2 4.47Å; L347-I367 HydrophobicContact CD2-CD1 4.39Å; L347-I367 HydrophobicContact CD2-CG2 3.97Å
348G97.4Very high96.8Very high60 Ų6054.4 Ų54.462%0.61934%0.341SS*.THydrogen-bonded Turntrans65.624-173.900000113.9L344 E345 I346L344-G348 PolarHBondContact O-N 3.27Å; E345-G348 PolarHBondContact O-N 3.21Å; I346-G348 VanDerWaalsContact C-N 3.3Å
349C97.5Very high96.9Very high0 Ų054.5 Ų54.50%034%0.337CS..  trans-120.25-172.4-64.70000113.7T330 L344 L347 N360 R363 L364T330-C349 WeakPolarHBondContact CB-O 3.46Å; T330-C349 HydrophobicContact CG2-CB 4.15Å; T330-C349 WeakPolarHBondContact CG2-O 3.37Å; L344-C349 HydrophobicContact CD2-CB 4.47Å; L344-C349 PolarHBondContact O-N 3.31Å; L347-C349 HydrophobicContact CB-CB 4.34Å; L347-C349 PolarHBondContact O-N 3.47Å; L347-C349 PolarHBondContact O-SG 2.81Å; C349-N360 WeakPolarHBondContact O-CB 3.48Å; C349-R363 VanDerWaalsContact SG-CG 3.52Å; C349-L364 HydrophobicContact CB-CB 4.36Å
350A98Very high97Very high27 Ų2752.6 Ų52.622%0.22332%0.317CS..  trans-68.9141.8-17600000113.4L344 E345 N360L344-A350 HydrophobicContact CB-CB 3.77Å; L344-A350 PolarHBondContact O-N 2.9Å; E345-A350 HydrophobicContact CB-CB 4.34Å; E345-A350 HydrophobicContact CG-CB 3.45Å; E345-A350 VanDerWaalsContact CG-CB 3.45Å; A350-N360 PolarHBondContact O-ND2 2.92Å; A350-N360 VanDerWaalsContact O-ND2 3.17Å
351G97.7Very high97Very high28 Ų2850.3 Ų50.329%0.28931%0.307SS..SBendtrans77.5-170.4172.100000114.4T330 N360T330-G351 WeakPolarHBondContact O-CA 3.4Å; T330-G351 PolarHBondContact O-N 2.91Å; T330-G351 VanDerWaalsContact O-N 3.17Å; T330-G351 PolarHBondContact OG1-O 3.41Å; G351-N360 PolarHBondContact O-ND2 3.14Å
352S96.5Very high97Very high60 Ų6048.8 Ų48.842%0.4230%0.298SS..  trans-85.5156.2175.253.80000111.7V331V331-S352 VanDerWaalsContact CG1-N 3.32Å
353C95Very high97Very high16 Ų1648.2 Ų48.211%0.10829%0.288CS..  trans-110.799.4169.6-174.60000110.1D180 S355 S356 P357 K359D180-C353 PolarHBondContact OD2-N 3.32Å; C353-S355 PolarHBondContact O-N 3.23Å; C353-S356 WeakPolarHBondContact CB-O 3.44Å; C353-S356 CarbonylContact O-C 3.53Å; C353-S356 PolarHBondContact O-N 3.36Å; C353-P357 VanDerWaalsContact O-CA 3.29Å; C353-P357 WeakPolarHBondContact O-CA 3.47Å; C353-K359 HydrophobicContact CB-CB 3.88Å
354D88.6Confident97Very high134 Ų13448 Ų4872%0.71729%0.286SS*.THydrogen-bonded Turntrans-65.8-36.8-174-67-17.2000113S356D354-S356 VanDerWaalsContact C-N 3.3Å; D354-S356 PolarHBondContact O-N 3.08Å
355S93.3Very high97Very high116 Ų11647.9 Ų47.981%0.81129%0.286SS*.THydrogen-bonded Turntrans-73.2-21.8177.8590000113.4C353C353-S355 PolarHBondContact O-N 3.23Å
356S95.6Very high97Very high49 Ų4944.4 Ų44.434%0.34327%0.27SS..SBendtrans-150.579.2178.7-169.30000110.7C353 D354 G358 K359C353-S356 WeakPolarHBondContact CB-O 3.44Å; C353-S356 CarbonylContact O-C 3.53Å; C353-S356 PolarHBondContact O-N 3.36Å; D354-S356 VanDerWaalsContact C-N 3.3Å; D354-S356 PolarHBondContact O-N 3.08Å; S356-G358 PolarHBondContact O-N 2.95Å; S356-K359 WeakPolarHBondContact O-CB 3.44Å; S356-K359 PolarHBondContact O-N 3.26Å
357P95.9Very high97Very high62 Ų6239.5 Ų39.540%0.40324%0.244SC..THydrogen-bonded Turntrans-51.9132.1-176.3-30.636.6000113F155 C353 K359 R362F155-P357 HydrophobicContact CD1-CB 4.25Å; C353-P357 VanDerWaalsContact O-CA 3.29Å; C353-P357 WeakPolarHBondContact O-CA 3.47Å; P357-K359 VanDerWaalsContact C-N 3.35Å; P357-R362 PolarHBondContact O-NH1 3.07Å; P357-R362 PolarHBondContact O-NH2 3.36Å; P357-R362 VanDerWaalsContact O-NH2 3.1Å
358G96.9Very high97.1Very high0 Ų039.2 Ų39.20%024%0.243CC..THydrogen-bonded Turntrans85.4-2.7-176.600000115.2G179 D180 S356 N360 A361 R362G179-G358 VanDerWaalsContact O-CA 3.22Å; G179-G358 WeakPolarHBondContact O-CA 3.46Å; D180-G358 VanDerWaalsContact CG-CA 3.44Å; D180-G358 VanDerWaalsContact CG-N 3.26Å; D180-G358 WeakPolarHBondContact OD1-CA 3.35Å; D180-G358 PolarHBondContact OD1-N 3.47Å; D180-G358 PolarHBondContact OD2-N 3.23Å; S356-G358 PolarHBondContact O-N 2.95Å; G358-N360 VanDerWaalsContact C-N 3.31Å; G358-N360 PolarHBondContact O-N 3.3Å; G358-A361 PolarHBondContact O-N 3.44Å; G358-R362 VanDerWaalsContact C-NH1 3.28Å; G358-R362 WeakPolarHBondContact O-CB 3.44Å; G358-R362 VanDerWaalsContact O-CG 3.23Å; G358-R362 WeakPolarHBondContact O-CG 3.2Å; G358-R362 PolarHBondContact O-N 3.38Å; G358-R362 PolarHBondContact O-NH1 3.32Å
359K98Very high97.1Very high117 Ų11736.3 Ų36.351%0.50921%0.213SC..Hα-helixtrans-58.7-42.8-179.6179-177.4176.4-174.70111.7D180 C353 S356 P357 R362 R363D180-K359 PolarHBondContact OD1-N 3.36Å; C353-K359 HydrophobicContact CB-CB 3.88Å; S356-K359 WeakPolarHBondContact O-CB 3.44Å; S356-K359 PolarHBondContact O-N 3.26Å; P357-K359 VanDerWaalsContact C-N 3.35Å; K359-R362 VanDerWaalsContact N-NH2 3.14Å; K359-R362 PolarHBondContact O-N 2.93Å; K359-R363 WeakPolarHBondContact O-CB 3.15Å; K359-R363 PolarHBondContact O-N 2.99Å
360N98.4Very high97.2Very high25 Ų2536.3 Ų36.313%0.13421%0.213CC..Hα-helixtrans-71.3-42.5-176-70-4.3000110.9D180 T330 C349 A350 G351 G358 R362 R363 L364D180-N360 WeakPolarHBondContact OD1-CA 3.16Å; D180-N360 WeakPolarHBondContact OD1-CB 3.22Å; D180-N360 PolarHBondContact OD1-N 3.3Å; T330-N360 HydrophobicContact CG2-CB 4.11Å; T330-N360 WeakPolarHBondContact OG1-CB 3.14Å; C349-N360 WeakPolarHBondContact O-CB 3.48Å; A350-N360 PolarHBondContact O-ND2 2.92Å; A350-N360 VanDerWaalsContact O-ND2 3.17Å; G351-N360 PolarHBondContact O-ND2 3.14Å; G358-N360 VanDerWaalsContact C-N 3.31Å; G358-N360 PolarHBondContact O-N 3.3Å; N360-R362 PolarHBondContact O-N 3.46Å; N360-R363 PolarHBondContact O-N 3.17Å; N360-L364 PolarHBondContact O-N 3.48Å
361A98.5Very high97.2Very high0 Ų035 Ų350%020%0.203CC..Hα-helixtrans-68.3-34.2176.300000112.9D180 R232 T330 G358 S365D180-A361 HydrophobicContact CB-CB 4.49Å; D180-A361 PolarHBondContact OD1-N 2.87Å; D180-A361 VanDerWaalsContact OD1-N 3.15Å; R232-A361 WeakPolarHBondContact CD-O 3.32Å; R232-A361 VanDerWaalsContact CZ-CB 3.44Å; T330-A361 HydrophobicContact CG2-CB 4.36Å; G358-A361 PolarHBondContact O-N 3.44Å; A361-S365 PolarHBondContact O-N 2.87Å; A361-S365 VanDerWaalsContact O-N 3.14Å
362R98.6Very high97.3Very high62 Ų6233.7 Ų33.723%0.23419%0.189CC..Hα-helixtrans-61.3-48.6168.8-74.4-174.7-66.8-87.25.9110.9L110 D113 P357 G358 K359 N360 L364 S365 Q366L110-R362 HydrophobicContact CD2-CB 4.25Å; L110-R362 HydrophobicContact CD2-CG 3.51Å; D113-R362 IonicContact OD2-NH1 3.88Å; P357-R362 PolarHBondContact O-NH1 3.07Å; P357-R362 PolarHBondContact O-NH2 3.36Å; P357-R362 VanDerWaalsContact O-NH2 3.1Å; G358-R362 VanDerWaalsContact C-NH1 3.28Å; G358-R362 WeakPolarHBondContact O-CB 3.44Å; G358-R362 VanDerWaalsContact O-CG 3.23Å; G358-R362 WeakPolarHBondContact O-CG 3.2Å; G358-R362 PolarHBondContact O-N 3.38Å; G358-R362 PolarHBondContact O-NH1 3.32Å; K359-R362 VanDerWaalsContact N-NH2 3.14Å; K359-R362 PolarHBondContact O-N 2.93Å; N360-R362 PolarHBondContact O-N 3.46Å; R362-L364 VanDerWaalsContact C-N 3.34Å; R362-L364 PolarHBondContact O-N 3.43Å; R362-S365 PolarHBondContact O-N 3.06Å; R362-S365 VanDerWaalsContact O-N 3.1Å; R362-S365 PolarHBondContact O-OG 3.46Å; R362-Q366 PolarHBondContact O-N 3.01Å; R362-Q366 VanDerWaalsContact O-N 3.15Å
363R98.4Very high97.4Very high29 Ų2930.9 Ų30.911%0.10917%0.169CC..Hα-helixtrans-59.9-43.7178.6-175.658177148-0.1112.2V76 D77 E79 C349 K359 N360 S365 Q366 I367V76-R363 PolarHBondContact O-NH1 3.2Å; V76-R363 PolarHBondContact O-NH2 3.35Å; D77-R363 IonicContact OD2-NH1 3.83Å; D77-R363 PolarHBondContact OD2-NH1 3.08Å; D77-R363 VanDerWaalsContact OD2-NH1 3.15Å; E79-R363 IonicContact OE2-CZ 3.62Å; E79-R363 IonicContact OE2-NE 2.73Å; E79-R363 PolarHBondContact OE2-NE 3.18Å; E79-R363 IonicContact OE2-NH2 2.65Å; E79-R363 PolarHBondContact OE2-NH2 3.39Å; C349-R363 VanDerWaalsContact SG-CG 3.52Å; K359-R363 WeakPolarHBondContact O-CB 3.15Å; K359-R363 PolarHBondContact O-N 2.99Å; N360-R363 PolarHBondContact O-N 3.17Å; R363-S365 VanDerWaalsContact C-N 3.3Å; R363-S365 PolarHBondContact O-N 3.24Å; R363-Q366 WeakPolarHBondContact O-CB 3.22Å; R363-Q366 PolarHBondContact O-N 3.47Å; R363-Q366 VanDerWaalsContact O-N 3.16Å; R363-I367 HydrophobicContact CG-CD1 4.04Å; R363-I367 WeakPolarHBondContact O-CG1 3.47Å; R363-I367 PolarHBondContact O-N 3.33Å
364L98.8Very high97.5Very high0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-57.6-42.5175179.860.3000111.8V328 T330 L344 L347 C349 N360 R362 Q366 I367 I368V328-L364 HydrophobicContact CB-CD2 4.13Å; T330-L364 HydrophobicContact CG2-CB 4.17Å; T330-L364 HydrophobicContact CG2-CD2 3.87Å; L344-L364 HydrophobicContact CD2-CD1 4.24Å; L344-L364 HydrophobicContact CD2-CD2 3.87Å; L347-L364 HydrophobicContact CD1-CD1 3.82Å; C349-L364 HydrophobicContact CB-CB 4.36Å; N360-L364 PolarHBondContact O-N 3.48Å; R362-L364 VanDerWaalsContact C-N 3.34Å; R362-L364 PolarHBondContact O-N 3.43Å; L364-Q366 VanDerWaalsContact C-N 3.33Å; L364-Q366 PolarHBondContact O-N 3.23Å; L364-I367 PolarHBondContact O-N 3.17Å; L364-I368 HydrophobicContact CD1-CD1 3.96Å; L364-I368 HydrophobicContact CD1-CG1 4.31Å; L364-I368 HydrophobicContact CG-CD1 3.83Å; L364-I368 WeakPolarHBondContact O-CD1 3.47Å; L364-I368 WeakPolarHBondContact O-CG1 3.37Å; L364-I368 PolarHBondContact O-N 2.82Å
365S98.8Very high98Very high0 Ų023.8 Ų23.80%013%0.13CC..Hα-helixtrans-63.3-37.2177.572.50000113.1A361 R362 R363 I368 C369A361-S365 PolarHBondContact O-N 2.87Å; A361-S365 VanDerWaalsContact O-N 3.14Å; R362-S365 PolarHBondContact O-N 3.06Å; R362-S365 VanDerWaalsContact O-N 3.1Å; R362-S365 PolarHBondContact O-OG 3.46Å; R363-S365 VanDerWaalsContact C-N 3.3Å; R363-S365 PolarHBondContact O-N 3.24Å; S365-I368 PolarHBondContact O-N 2.66Å; S365-C369 WeakPolarHBondContact O-CB 3.48Å; S365-C369 PolarHBondContact O-N 3.37Å
366Q98.8Very high98.2Very high37 Ų3718.3 Ų18.317%0.1739%0.092CC..Hα-helixtrans-67.8-43.3176-66.1172-70.800111.7D77 T108 V234 R362 R363 L364 I368 C369 G370D77-Q366 PolarHBondContact OD2-NE2 2.83Å; T108-Q366 HydrophobicContact CG2-CB 4.24Å; T108-Q366 WeakPolarHBondContact OG1-CB 3.4Å; T108-Q366 VanDerWaalsContact OG1-CG 3.24Å; T108-Q366 WeakPolarHBondContact OG1-CG 3.34Å; T108-Q366 PolarHBondContact OG1-NE2 3.26Å; V234-Q366 HydrophobicContact CG2-CG 4.08Å; R362-Q366 PolarHBondContact O-N 3.01Å; R362-Q366 VanDerWaalsContact O-N 3.15Å; R363-Q366 WeakPolarHBondContact O-CB 3.22Å; R363-Q366 PolarHBondContact O-N 3.47Å; R363-Q366 VanDerWaalsContact O-N 3.16Å; L364-Q366 VanDerWaalsContact C-N 3.33Å; L364-Q366 PolarHBondContact O-N 3.23Å; Q366-I368 VanDerWaalsContact C-N 3.35Å; Q366-I368 PolarHBondContact O-N 2.74Å; Q366-C369 WeakPolarHBondContact O-CB 3.5Å; Q366-C369 PolarHBondContact O-N 3.44Å; Q366-G370 PolarHBondContact O-N 3.3Å
367I98.8Very high98.3Very high0 Ų016 Ų160%08%0.075CC..Hα-helixtrans-61.2-43.9175.5-68.6168.8000110.9V81 I83 L347 R363 L364 G370 A371V81-I367 HydrophobicContact CG1-CD1 4.05Å; V81-I367 HydrophobicContact CG1-CG1 4.32Å; V81-I367 HydrophobicContact CG2-CG2 4.31Å; I83-I367 HydrophobicContact CG1-CG2 4.09Å; L347-I367 HydrophobicContact CB-CD1 4.21Å; L347-I367 HydrophobicContact CD1-CG2 4.47Å; L347-I367 HydrophobicContact CD2-CD1 4.39Å; L347-I367 HydrophobicContact CD2-CG2 3.97Å; R363-I367 HydrophobicContact CG-CD1 4.04Å; R363-I367 WeakPolarHBondContact O-CG1 3.47Å; R363-I367 PolarHBondContact O-N 3.33Å; L364-I367 PolarHBondContact O-N 3.17Å; I367-G370 PolarHBondContact O-N 3.42Å; I367-A371 WeakPolarHBondContact O-CB 3.44Å; I367-A371 PolarHBondContact O-N 3.18Å
368I98.9Very high98.3Very high1 Ų113.1 Ų13.11%0.0056%0.057CC..Hα-helixtrans-62.5-43.7176.9-70.9161.8000110.9V285 V288 F289 M323 L326 V328 L364 S365 Q366 G370 A371 V372V285-I368 HydrophobicContact CG2-CG2 4.2Å; V288-I368 HydrophobicContact CB-CG1 4.43Å; V288-I368 HydrophobicContact CG1-CD1 4.22Å; V288-I368 HydrophobicContact CG1-CG1 3.78Å; F289-I368 HydrophobicContact CD1-CD1 4.46Å; F289-I368 HydrophobicContact CE1-CD1 4.03Å; M323-I368 HydrophobicContact CE-CG2 4.46Å; L326-I368 HydrophobicContact CD1-CB 4.38Å; L326-I368 HydrophobicContact CD1-CG2 4.11Å; L326-I368 HydrophobicContact CD2-CG2 3.88Å; V328-I368 HydrophobicContact CG1-CD1 3.72Å; L364-I368 HydrophobicContact CD1-CD1 3.96Å; L364-I368 HydrophobicContact CD1-CG1 4.31Å; L364-I368 HydrophobicContact CG-CD1 3.83Å; L364-I368 WeakPolarHBondContact O-CD1 3.47Å; L364-I368 WeakPolarHBondContact O-CG1 3.37Å; L364-I368 PolarHBondContact O-N 2.82Å; S365-I368 PolarHBondContact O-N 2.66Å; Q366-I368 VanDerWaalsContact C-N 3.35Å; Q366-I368 PolarHBondContact O-N 2.74Å; I368-G370 VanDerWaalsContact C-N 3.33Å; I368-G370 PolarHBondContact O-N 2.78Å; I368-A371 WeakPolarHBondContact O-CB 3.36Å; I368-A371 PolarHBondContact O-N 3.4Å; I368-V372 HydrophobicContact CG2-CG2 4.44Å; I368-V372 WeakPolarHBondContact O-CG2 3.47Å; I368-V372 PolarHBondContact O-N 3.09Å
369C98.8Very high98.2Very high0 Ų014.3 Ų14.30%06%0.063CC..Hα-helixtrans-60.1-42.6175.7-1680000112.1V234 G236 C321 M323 S365 Q366 V372 L373V234-C369 HydrophobicContact CB-CB 4.45Å; V234-C369 HydrophobicContact CG1-CB 3.62Å; V234-C369 HydrophobicContact CG2-CB 3.95Å; G236-C369 PolarHBondContact N-SG 3.45Å; G236-C369 VanDerWaalsContact N-SG 3.45Å; C321-C369 PolarHBondContact O-SG 2.94Å; M323-C369 HydrophobicContact SD-CB 4.25Å; S365-C369 WeakPolarHBondContact O-CB 3.48Å; S365-C369 PolarHBondContact O-N 3.37Å; Q366-C369 WeakPolarHBondContact O-CB 3.5Å; Q366-C369 PolarHBondContact O-N 3.44Å; C369-V372 PolarHBondContact O-N 2.89Å; C369-L373 PolarHBondContact O-N 3.23Å
370G98.6Very high98.2Very high0 Ų08.8 Ų8.80%04%0.039CC..Hα-helixtrans-63.7-41.8174.600000112.9Q366 I367 I368 V372 L373 A374Q366-G370 PolarHBondContact O-N 3.3Å; I367-G370 PolarHBondContact O-N 3.42Å; I368-G370 VanDerWaalsContact C-N 3.33Å; I368-G370 PolarHBondContact O-N 2.78Å; G370-V372 VanDerWaalsContact C-N 3.34Å; G370-V372 PolarHBondContact O-N 3.29Å; G370-L373 PolarHBondContact O-N 3.25Å; G370-A374 WeakPolarHBondContact O-CB 3.29Å; G370-A374 PolarHBondContact O-N 3.36Å
371A98.7Very high98Very high0 Ų07.6 Ų7.60%03%0.033CC..Hα-helixtrans-62.2-41.7175.200000111.9I83 V284 I367 I368 A374 G375I83-A371 HydrophobicContact CD1-CB 3.61Å; I83-A371 HydrophobicContact CG1-CB 4.45Å; I83-A371 HydrophobicContact CG2-CB 4.29Å; V284-A371 HydrophobicContact CG1-CB 3.72Å; I367-A371 WeakPolarHBondContact O-CB 3.44Å; I367-A371 PolarHBondContact O-N 3.18Å; I368-A371 WeakPolarHBondContact O-CB 3.36Å; I368-A371 PolarHBondContact O-N 3.4Å; A371-A374 PolarHBondContact O-N 3.42Å; A371-G375 PolarHBondContact O-N 3.09Å
372V98.8Very high97.7Very high0 Ų08 Ų80%04%0.036CC..Hα-helixtrans-62-49.3175.7166.60000110C281 V284 V285 M323 I368 C369 G370 A374 G375 E376C281-V372 HydrophobicContact CB-CG1 4.02Å; V284-V372 HydrophobicContact CB-CG2 3.97Å; V284-V372 HydrophobicContact CG1-CG2 4.02Å; V285-V372 HydrophobicContact CG2-CG2 4.07Å; M323-V372 HydrophobicContact CE-CG2 4.07Å; M323-V372 HydrophobicContact SD-CB 4.07Å; M323-V372 HydrophobicContact SD-CG1 4.21Å; M323-V372 HydrophobicContact SD-CG2 3.86Å; I368-V372 HydrophobicContact CG2-CG2 4.44Å; I368-V372 WeakPolarHBondContact O-CG2 3.47Å; I368-V372 PolarHBondContact O-N 3.09Å; C369-V372 PolarHBondContact O-N 2.89Å; G370-V372 VanDerWaalsContact C-N 3.34Å; G370-V372 PolarHBondContact O-N 3.29Å; V372-A374 VanDerWaalsContact C-N 3.34Å; V372-A374 PolarHBondContact O-N 3.09Å; V372-G375 CarbonylContact O-C 3.54Å; V372-G375 WeakPolarHBondContact O-CA 3.42Å; V372-G375 PolarHBondContact O-N 3.43Å; V372-G375 VanDerWaalsContact O-N 3.1Å; V372-E376 HydrophobicContact CG1-CG 4.16Å; V372-E376 WeakPolarHBondContact O-CG 3.34Å; V372-E376 PolarHBondContact O-N 3.3Å
373L98.6Very high97.5Very high1 Ų17.8 Ų7.81%0.0054%0.039CC..Hα-helixtrans-57.6-46177.9-173.6158.9000111.8V106 A238 I319 C321 C369 G370 G375 E376 L377V106-L373 HydrophobicContact CG1-CD1 4.15Å; V106-L373 HydrophobicContact CG2-CD1 4.43Å; V106-L373 HydrophobicContact CG2-CD2 4.03Å; A238-L373 HydrophobicContact CB-CD1 4.42Å; A238-L373 HydrophobicContact CB-CD2 3.94Å; I319-L373 HydrophobicContact CD1-CD2 4.26Å; I319-L373 HydrophobicContact CD1-CG 4.16Å; I319-L373 HydrophobicContact CG1-CG 4.35Å; I319-L373 HydrophobicContact CG2-CD1 4.41Å; I319-L373 HydrophobicContact CG2-CD2 3.84Å; I319-L373 HydrophobicContact CG2-CG 4.25Å; C321-L373 HydrophobicContact CB-CB 4.25Å; C369-L373 PolarHBondContact O-N 3.23Å; G370-L373 PolarHBondContact O-N 3.25Å; L373-G375 VanDerWaalsContact C-N 3.35Å; L373-G375 PolarHBondContact O-N 3.47Å; L373-E376 PolarHBondContact O-N 3.32Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 PolarHBondContact O-N 3.38Å
374A98.1Very high97.2Very high1 Ų17.8 Ų7.81%0.0085%0.046CC..Hα-helixtrans-58.5-46.2174.500000111.9L74 G99 G370 A371 V372 S378L74-A374 HydrophobicContact CD1-CB 4.39Å; G99-A374 VanDerWaalsContact CA-O 3.27Å; G99-A374 WeakPolarHBondContact CA-O 3.25Å; G370-A374 WeakPolarHBondContact O-CB 3.29Å; G370-A374 PolarHBondContact O-N 3.36Å; A371-A374 PolarHBondContact O-N 3.42Å; V372-A374 VanDerWaalsContact C-N 3.34Å; V372-A374 PolarHBondContact O-N 3.09Å; A374-S378 PolarHBondContact O-N 3.02Å; A374-S378 VanDerWaalsContact O-N 3.14Å
375G97.9Very high96.7Very high0 Ų09.8 Ų9.80%06%0.059CC..Hα-helixtrans-57.6-51174.100000112.3H280 A371 V372 L373 S378 L379H280-G375 WeakPolarHBondContact NE2-CA 3.44Å; H280-G375 PolarHBondContact NE2-O 2.98Å; A371-G375 PolarHBondContact O-N 3.09Å; V372-G375 CarbonylContact O-C 3.54Å; V372-G375 WeakPolarHBondContact O-CA 3.42Å; V372-G375 PolarHBondContact O-N 3.43Å; V372-G375 VanDerWaalsContact O-N 3.1Å; L373-G375 VanDerWaalsContact C-N 3.35Å; L373-G375 PolarHBondContact O-N 3.47Å; G375-S378 PolarHBondContact O-N 2.92Å; G375-L379 WeakPolarHBondContact O-CB 3.33Å; G375-L379 PolarHBondContact O-N 2.95Å
376E98.3Very high95.8Very high0 Ų012.4 Ų12.40%09%0.086CC..Hα-helixtrans-57.5-49.8-178.9-74-65.111600111A279 H280 C281 T307 I319 V372 L373 S378 L379 L380A279-E376 WeakPolarHBondContact CA-OE1 3.43Å; A279-E376 VanDerWaalsContact CB-OE2 3.25Å; A279-E376 WeakPolarHBondContact CB-OE2 3.48Å; A279-E376 VanDerWaalsContact N-CD 3.3Å; A279-E376 PolarHBondContact N-OE1 3.2Å; A279-E376 VanDerWaalsContact N-OE1 3.12Å; A279-E376 PolarHBondContact N-OE2 3.41Å; H280-E376 IonicContact CD2-OE1 3.48Å; H280-E376 PolarHBondContact CD2-OE1 3.16Å; H280-E376 VanDerWaalsContact CD2-OE1 3.28Å; H280-E376 PolarHBondContact N-OE1 3.34Å; C281-E376 PolarHBondContact N-OE1 3.03Å; T307-E376 HydrophobicContact CG2-CB 4.15Å; T307-E376 HydrophobicContact CG2-CG 4.25Å; T307-E376 WeakPolarHBondContact OG1-CG 3.4Å; T307-E376 PolarHBondContact OG1-OE2 3.28Å; T307-E376 VanDerWaalsContact OG1-OE2 3.11Å; I319-E376 HydrophobicContact CD1-CB 4.45Å; V372-E376 HydrophobicContact CG1-CG 4.16Å; V372-E376 WeakPolarHBondContact O-CG 3.34Å; V372-E376 PolarHBondContact O-N 3.3Å; L373-E376 PolarHBondContact O-N 3.32Å; E376-S378 VanDerWaalsContact C-N 3.34Å; E376-S378 PolarHBondContact O-N 2.9Å; E376-L379 PolarHBondContact O-N 3.32Å; E376-L380 VanDerWaalsContact O-CB 3.29Å; E376-L380 WeakPolarHBondContact O-CB 3.44Å; E376-L380 VanDerWaalsContact O-CG 3.28Å; E376-L380 WeakPolarHBondContact O-CG 3.49Å; E376-L380 PolarHBondContact O-N 2.98Å
377L97.4Very high94.6Very high0 Ų011.8 Ų11.80%09%0.086CC..Hα-helixtrans-54.1-50.3177.8179.269.1000111.6L240 L249 L317 I319 L373 A381L240-L377 HydrophobicContact CD1-CD1 4.47Å; L240-L377 HydrophobicContact CD1-CD2 4.24Å; L240-L377 HydrophobicContact CD2-CD1 4.11Å; L240-L377 HydrophobicContact CD2-CD2 3.56Å; L240-L377 HydrophobicContact CD2-CG 4.43Å; L249-L377 HydrophobicContact CD1-CD1 3.62Å; L249-L377 HydrophobicContact CD1-CD2 4.29Å; L249-L377 HydrophobicContact CD1-CG 3.96Å; L317-L377 HydrophobicContact CD2-CD1 3.93Å; I319-L377 HydrophobicContact CD1-CB 3.98Å; I319-L377 HydrophobicContact CD1-CD1 4.32Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 PolarHBondContact O-N 3.38Å; L377-A381 VanDerWaalsContact O-CB 3.24Å; L377-A381 WeakPolarHBondContact O-CB 3.34Å; L377-A381 PolarHBondContact O-N 3.19Å
378S95.4Very high93.2Very high3 Ų314 Ų142%0.02110%0.098CC..Hα-helixtrans-66.8-43.1-176.3-171.50000112.4S95 A374 G375 E376 A382S95-S378 WeakPolarHBondContact O-CB 3.46Å; S95-S378 PolarHBondContact O-OG 3.1Å; S95-S378 PolarHBondContact OG-OG 2.67Å; A374-S378 PolarHBondContact O-N 3.02Å; A374-S378 VanDerWaalsContact O-N 3.14Å; G375-S378 PolarHBondContact O-N 2.92Å; E376-S378 VanDerWaalsContact C-N 3.34Å; E376-S378 PolarHBondContact O-N 2.9Å; S378-A382 WeakPolarHBondContact O-CB 3.49Å; S378-A382 PolarHBondContact O-N 3.27Å
379L96Very high91.8Very high25 Ų2519.2 Ų19.213%0.13113%0.129CC..Hα-helixtrans-68.1-45.9179.1177.958.5000111.6A279 H280 G375 E376 A381 A382 L383 L388A279-L379 HydrophobicContact CB-CD2 3.77Å; A279-L379 HydrophobicContact CB-CG 4.37Å; H280-L379 HydrophobicContact CB-CD2 3.59Å; H280-L379 WeakPolarHBondContact CD2-CD2 3.47Å; H280-L379 VanDerWaalsContact CG-CD2 3.41Å; G375-L379 WeakPolarHBondContact O-CB 3.33Å; G375-L379 PolarHBondContact O-N 2.95Å; E376-L379 PolarHBondContact O-N 3.32Å; L379-A381 VanDerWaalsContact C-N 3.33Å; L379-A381 PolarHBondContact O-N 3.26Å; L379-A382 PolarHBondContact O-N 3.28Å; L379-L383 HydrophobicContact CD1-CD1 4.31Å; L379-L383 HydrophobicContact CD1-CG 4.36Å; L379-L383 HydrophobicContact CG-CD1 4.14Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 3.13Å; L379-L388 HydrophobicContact CD1-CD1 3.56Å
380L96.6Very high90.4Very high0 Ų027.8 Ų27.80%016%0.161CC..Hα-helixtrans-63.3-40.1178.1-70.8167.8000111.1L256 L259 K263 A279 T307 M309 E376 L383 A384L256-L380 HydrophobicContact CD2-CB 4.18Å; L259-L380 HydrophobicContact CD2-CB 4.49Å; L259-L380 HydrophobicContact CD2-CD2 4.11Å; L259-L380 VanDerWaalsContact CD2-O 3.26Å; L259-L380 WeakPolarHBondContact CD2-O 3.43Å; L259-L380 HydrophobicContact CG-CD2 4.23Å; K263-L380 HydrophobicContact CD-CD2 4.47Å; A279-L380 HydrophobicContact CB-CD2 4.12Å; A279-L380 HydrophobicContact CB-CG 4.22Å; T307-L380 HydrophobicContact CG2-CD1 4.2Å; M309-L380 HydrophobicContact CE-CB 4.22Å; M309-L380 HydrophobicContact CE-CD1 3.34Å; M309-L380 HydrophobicContact CE-CG 4.41Å; M309-L380 HydrophobicContact SD-CD1 4.15Å; E376-L380 VanDerWaalsContact O-CB 3.29Å; E376-L380 WeakPolarHBondContact O-CB 3.44Å; E376-L380 VanDerWaalsContact O-CG 3.28Å; E376-L380 WeakPolarHBondContact O-CG 3.49Å; E376-L380 PolarHBondContact O-N 2.98Å; L380-L383 PolarHBondContact O-N 3.47Å; L380-A384 WeakPolarHBondContact O-CB 3.37Å; L380-A384 PolarHBondContact O-N 2.84Å
381A94.3Very high89Confident0 Ų029.9 Ų29.90%018%0.176CC..Hα-helixtrans-60.8-44.6171.200000112.6L249 L256 L377 L379 L383 A384 C385L249-A381 HydrophobicContact CB-CB 3.85Å; L249-A381 HydrophobicContact CD1-CB 4.3Å; L249-A381 HydrophobicContact CD2-CB 4.08Å; L249-A381 HydrophobicContact CG-CB 4.3Å; L256-A381 HydrophobicContact CD2-CB 4.36Å; L377-A381 VanDerWaalsContact O-CB 3.24Å; L377-A381 WeakPolarHBondContact O-CB 3.34Å; L377-A381 PolarHBondContact O-N 3.19Å; L379-A381 VanDerWaalsContact C-N 3.33Å; L379-A381 PolarHBondContact O-N 3.26Å; A381-L383 VanDerWaalsContact C-N 3.29Å; A381-L383 PolarHBondContact O-N 2.67Å; A381-A384 PolarHBondContact O-N 3.06Å; A381-C385 WeakPolarHBondContact O-CB 3.32Å; A381-C385 PolarHBondContact O-N 3.42Å; A381-C385 PolarHBondContact O-SG 2.82Å
382A92.9Very high87.4Confident8 Ų832.7 Ų32.77%0.06619%0.189CC..Hα-helixtrans-64.6-33.9178.300000113S378 L379 G386 S387 L388S378-A382 WeakPolarHBondContact O-CB 3.49Å; S378-A382 PolarHBondContact O-N 3.27Å; L379-A382 PolarHBondContact O-N 3.28Å; A382-G386 PolarHBondContact O-N 2.91Å; A382-S387 VanDerWaalsContact CA-OG 3.31Å; A382-S387 WeakPolarHBondContact CA-OG 3.41Å; A382-S387 PolarHBondContact O-N 3.15Å; A382-S387 PolarHBondContact O-OG 3.1Å; A382-S387 VanDerWaalsContact O-OG 3.13Å; A382-L388 PolarHBondContact O-N 3.47Å
383L94.2Very high85.7Confident58 Ų5836.9 Ų36.930%0.30421%0.21SC..Hα-helixtrans-69.7-48173.6-78.8168.4000111.4L259 K263 L379 L380 A381 C385 G386 L388L259-L383 HydrophobicContact CD2-CB 3.64Å; K263-L383 HydrophobicContact CD-CD1 4.04Å; L379-L383 HydrophobicContact CD1-CD1 4.31Å; L379-L383 HydrophobicContact CD1-CG 4.36Å; L379-L383 HydrophobicContact CG-CD1 4.14Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 3.13Å; L380-L383 PolarHBondContact O-N 3.47Å; A381-L383 VanDerWaalsContact C-N 3.29Å; A381-L383 PolarHBondContact O-N 2.67Å; L383-C385 VanDerWaalsContact C-N 3.25Å; L383-C385 PolarHBondContact O-N 3.15Å; L383-G386 PolarHBondContact O-N 3.03Å; L383-L388 HydrophobicContact CD2-CB 4.26Å; L383-L388 HydrophobicContact CD2-CD2 3.55Å; L383-L388 HydrophobicContact CD2-CG 4.43Å; L383-L388 HydrophobicContact CG-CD2 4.33Å
384A92.2Very high84.4Confident30 Ų3045 Ų4525%0.24824%0.24CC..Hα-helixtrans-60.4-34.6179.500000112.5L256 L259 L380 A381L256-A384 HydrophobicContact CD2-CB 4.09Å; L259-A384 HydrophobicContact CD2-CB 3.92Å; L380-A384 WeakPolarHBondContact O-CB 3.37Å; L380-A384 PolarHBondContact O-N 2.84Å; A381-A384 PolarHBondContact O-N 3.06Å
385C87.4Confident82.9Confident42 Ų4251 Ų5128%0.28426%0.264SS..THydrogen-bonded Turntrans-84.9-3.5177.1-63.60000114.8L249 K250 T251 A381 L383 S387L249-C385 PolarHBondContact O-SG 3.37Å; L249-C385 VanDerWaalsContact O-SG 3.38Å; K250-C385 PolarHBondContact O-SG 2.61Å; T251-C385 VanDerWaalsContact CB-SG 3.55Å; A381-C385 WeakPolarHBondContact O-CB 3.32Å; A381-C385 PolarHBondContact O-N 3.42Å; A381-C385 PolarHBondContact O-SG 2.82Å; L383-C385 VanDerWaalsContact C-N 3.25Å; L383-C385 PolarHBondContact O-N 3.15Å; C385-S387 VanDerWaalsContact C-N 3.28Å; C385-S387 PolarHBondContact O-N 2.73Å
386G80.1Confident81.2Confident54 Ų5454.8 Ų54.856%0.55728%0.284SS*.THydrogen-bonded Turntrans61.932.6-173.400000113.7A382 L383 R390A382-G386 PolarHBondContact O-N 2.91Å; L383-G386 PolarHBondContact O-N 3.03Å; G386-R390 PolarHBondContact O-NH2 2.65Å
387S74.5Confident79Confident24 Ų2462.4 Ų62.417%0.16831%0.313CS..  trans-100.9-8.9-179.265.30000114.2A382 C385 V389 R390 S391A382-S387 VanDerWaalsContact CA-OG 3.31Å; A382-S387 WeakPolarHBondContact CA-OG 3.41Å; A382-S387 PolarHBondContact O-N 3.15Å; A382-S387 PolarHBondContact O-OG 3.1Å; A382-S387 VanDerWaalsContact O-OG 3.13Å; C385-S387 VanDerWaalsContact C-N 3.28Å; C385-S387 PolarHBondContact O-N 2.73Å; S387-V389 PolarHBondContact O-N 3.34Å; S387-R390 PolarHBondContact O-N 2.73Å; S387-S391 PolarHBondContact O-N 3.29Å; S387-S391 PolarHBondContact O-OG 3.22Å
388L70.3Confident76.8Confident48 Ų4872.3 Ų72.325%0.25136%0.356SS..Hα-helixtrans-51.5-55.1-174.2-174.866.3000113.2L379 A382 L383 R390 S391 H392L379-L388 HydrophobicContact CD1-CD1 3.56Å; A382-L388 PolarHBondContact O-N 3.47Å; L383-L388 HydrophobicContact CD2-CB 4.26Å; L383-L388 HydrophobicContact CD2-CD2 3.55Å; L383-L388 HydrophobicContact CD2-CG 4.43Å; L383-L388 HydrophobicContact CG-CD2 4.33Å; L388-R390 VanDerWaalsContact C-N 3.33Å; L388-R390 PolarHBondContact O-N 2.92Å; L388-S391 PolarHBondContact O-N 3.43Å; L388-H392 PolarHBondContact O-CD2 2.94Å; L388-H392 PolarHBondContact O-N 3.5Å
389V69Low74.3Confident110 Ų11077.2 Ų77.267%0.66738%0.382SS*.Hα-helixtrans-62.2-41.6-176.8179.10000111.2S387 S391 H392 M393S387-V389 PolarHBondContact O-N 3.34Å; V389-S391 VanDerWaalsContact C-N 3.32Å; V389-S391 PolarHBondContact O-N 3.46Å; V389-H392 PolarHBondContact O-N 3.17Å; V389-M393 HydrophobicContact CG1-CG 4.21Å; V389-M393 WeakPolarHBondContact O-CB 3.16Å; V389-M393 VanDerWaalsContact O-CG 3.22Å; V389-M393 WeakPolarHBondContact O-CG 3.35Å; V389-M393 PolarHBondContact O-N 3.36Å
390R69.4Low71.7Confident179 Ų17980.6 Ų80.668%0.67541%0.414SS*.Hα-helixtrans-61.3-40.2178.2-78.7-177.2-79.4174-3.6111.8G386 S387 L388 R394G386-R390 PolarHBondContact O-NH2 2.65Å; S387-R390 PolarHBondContact O-N 2.73Å; L388-R390 VanDerWaalsContact C-N 3.33Å; L388-R390 PolarHBondContact O-N 2.92Å; R390-R394 PolarHBondContact O-N 2.89Å
391S67.8Low69.1Low45 Ų4589.2 Ų89.232%0.31545%0.451SS..Hα-helixtrans-66.3-48.9176.6-63.30000111.9C91 S387 L388 V389 M393 R394 Y395C91-S391 VanDerWaalsContact SG-C 3.51Å; C91-S391 PolarHBondContact SG-O 3.49Å; S387-S391 PolarHBondContact O-N 3.29Å; S387-S391 PolarHBondContact O-OG 3.22Å; L388-S391 PolarHBondContact O-N 3.43Å; V389-S391 VanDerWaalsContact C-N 3.32Å; V389-S391 PolarHBondContact O-N 3.46Å; S391-M393 VanDerWaalsContact C-N 3.32Å; S391-M393 PolarHBondContact O-N 2.95Å; S391-R394 PolarHBondContact O-N 3.18Å; S391-R394 VanDerWaalsContact O-N 3.09Å; S391-Y395 WeakPolarHBondContact O-CD2 3.47Å; S391-Y395 PolarHBondContact O-N 3.49Å; S391-Y395 VanDerWaalsContact O-N 3.16Å
392H66.7Low66.3Low58 Ų5894.2 Ų94.227%0.26949%0.486SS..Hα-helixtrans-60.6-39.8177.5-81.1-78.8000112.7E89 L388 V389 R394 Y395 N396E89-H392 IonicContact OE1-CE1 3.87Å; L388-H392 PolarHBondContact O-CD2 2.94Å; L388-H392 PolarHBondContact O-N 3.5Å; V389-H392 PolarHBondContact O-N 3.17Å; H392-R394 PolarHBondContact O-N 2.93Å; H392-Y395 PolarHBondContact O-N 3.02Å; H392-N396 HydrophobicContact CB-CB 4.48Å; H392-N396 WeakPolarHBondContact O-CA 3.47Å; H392-N396 WeakPolarHBondContact O-CB 3.19Å; H392-N396 PolarHBondContact O-N 2.76Å
393M62.6Low63.4Low89 Ų89102.1 Ų102.144%0.43852%0.521SS..Hα-helixtrans-64.2-29.9177.1-70.2-63.5-68.900112.8V389 S391V389-M393 HydrophobicContact CG1-CG 4.21Å; V389-M393 WeakPolarHBondContact O-CB 3.16Å; V389-M393 VanDerWaalsContact O-CG 3.22Å; V389-M393 WeakPolarHBondContact O-CG 3.35Å; V389-M393 PolarHBondContact O-N 3.36Å; S391-M393 VanDerWaalsContact C-N 3.32Å; S391-M393 PolarHBondContact O-N 2.95Å
394R70.4Confident60.5Low172 Ų172107.5 Ų107.565%0.64954%0.542SS*.Hα-helixtrans-78-40.3179.8-172.4176.4-178.6-1781.1113.3R390 S391 H392R390-R394 PolarHBondContact O-N 2.89Å; S391-R394 PolarHBondContact O-N 3.18Å; S391-R394 VanDerWaalsContact O-N 3.09Å; H392-R394 PolarHBondContact O-N 2.93Å
395Y68.3Low57.5Low127 Ų127111 Ų11150%0.49856%0.563SS.*Hα-helixtrans-113.7-20.3-171.7-55.7-84.3000115.2C91 S391 H392C91-Y395 VanDerWaalsContact SG-CB 3.58Å; S391-Y395 WeakPolarHBondContact O-CD2 3.47Å; S391-Y395 PolarHBondContact O-N 3.49Å; S391-Y395 VanDerWaalsContact O-N 3.16Å; H392-Y395 PolarHBondContact O-N 3.02Å
396N61.4Low54.8Low79 Ų79116.1 Ų116.142%0.42259%0.592SS.*THydrogen-bonded Turntrans-101.1-9-175.6-153.321.9000113.7G90 H392G90-N396 WeakPolarHBondContact CA-OD1 3.22Å; G90-N396 PolarHBondContact N-OD1 2.86Å; H392-N396 HydrophobicContact CB-CB 4.48Å; H392-N396 WeakPolarHBondContact O-CA 3.47Å; H392-N396 WeakPolarHBondContact O-CB 3.19Å; H392-N396 PolarHBondContact O-N 2.76Å
397R52.5Low52.4Low159 Ų159120.8 Ų120.860%0.660%0.6SS**SBendtrans-96.2138.9167.4-102.3-178.1173.9-175.50.1109.7N399R397-N399 PolarHBondContact O-N 3.16Å
398K49.8Very low50.1Low208 Ų208124.7 Ų124.790%0.90463%0.627SS**  trans-58.884.4155.4-76.7-177.3179.5177.60106.9A400K398-A400 VanDerWaalsContact C-N 3.3Å; K398-A400 PolarHBondContact O-N 3.15Å
399N44Very low48.1Very low106 Ų106131.8 Ų131.857%0.56766%0.656SS**  trans-57.8110.1153.8-78.2-29.4000103.3R397 K401R397-N399 PolarHBondContact O-N 3.16Å; N399-K401 PolarHBondContact O-N 3.29Å
400A41.1Very low46Very low97 Ų97133.8 Ų133.880%0.80266%0.659SS**  trans-49.4100.6168.600000104.9K398 S402K398-A400 VanDerWaalsContact C-N 3.3Å; K398-A400 PolarHBondContact O-N 3.15Å; A400-S402 VanDerWaalsContact C-N 3.29Å; A400-S402 PolarHBondContact O-N 3.46Å
401K41.8Very low43.9Very low181 Ų181135.7 Ų135.779%0.78767%0.666SS**  trans-56.9110.6167.3-80.2-179.3176.7174.20102.3N399 E403N399-K401 PolarHBondContact O-N 3.29Å; K401-E403 PolarHBondContact O-N 2.68Å
402S35.2Very low41.9Very low104 Ų104141.6 Ų141.673%0.72769%0.693SS**  trans-34.7125.2157.549.70000106.3A400 K404A400-S402 VanDerWaalsContact C-N 3.29Å; A400-S402 PolarHBondContact O-N 3.46Å; S402-K404 PolarHBondContact O-N 3.44Å
403E33.5Very low39.9Very low174 Ų174145.6 Ų145.681%0.81372%0.721SS**  trans-37.6113.9177.5-73.4172.2159.400107.9K401 P405K401-E403 PolarHBondContact O-N 2.68Å; E403-P405 WeakPolarHBondContact O-CD 3.43Å
404K32.5Very low38.1Very low172 Ų172145.7 Ų145.775%0.74873%0.73SS**  trans-55.3127164.7-80.9-173.2171.1-169.90104S402 T406S402-K404 PolarHBondContact O-N 3.44Å; K404-T406 PolarHBondContact O-N 3.39Å
405P28.8Very low35.9Very low104 Ų104148.9 Ų148.968%0.67574%0.743SS**  trans-51.2125.1170-18.129.3000106E403 E407E403-P405 WeakPolarHBondContact O-CD 3.43Å; P405-E407 HydrophobicContact CB-CG 4.35Å; P405-E407 PolarHBondContact O-N 3.49Å
406T31.2Very low34Very low148 Ų148149.1 Ų149.191%0.90876%0.762SS**  trans-66.173161.539.90000106.7K404 S408K404-T406 PolarHBondContact O-N 3.39Å; T406-S408 PolarHBondContact O-N 3.19Å
407E29.7Very low32.4Very low153 Ų153154.5 Ų154.572%0.71578%0.784SS**  trans-78.1110155.6-79.6-175.717100105.6P405 F409P405-E407 HydrophobicContact CB-CG 4.35Å; P405-E407 PolarHBondContact O-N 3.49Å; E407-F409 PolarHBondContact O-N 2.89Å
408S27.4Very low31.3Very low106 Ų106151.9 Ų151.974%0.74179%0.787SS**  trans-47.8104.4163.145.30000109.2T406 E410T406-S408 PolarHBondContact O-N 3.19Å; S408-E410 PolarHBondContact O-N 3.07Å
409F27.7Very low30.4Very low196 Ų196150 Ų15086%0.8679%0.786SS**  trans-72.479.4162.6-101-94.7000108E407E407-F409 PolarHBondContact O-N 2.89Å
410E24.4Very low29.8Very low153 Ų153150.3 Ų150.372%0.71580%0.796SS**  trans-77.8148.3146.2-75.5-175.6153.200107.6S408S408-E410 PolarHBondContact O-N 3.07Å
411W25.2Very low29.1Very low218 Ų218149 Ų14983%0.82679%0.792SS**  trans94.179.8179.1-53.896.4000117.5
412L25.8Very low28.5Very low170 Ų170149.1 Ų149.189%0.8980%0.801SS**  -166.866.2125.6-106.1154.8000111.2
413V25.5Very low28Very low142 Ų142153.5 Ų153.586%0.86181%0.807SS**  trans-129.779.4151.7-1730000106.6
414S24.6Very low27.8Very low90 Ų90151.9 Ų151.963%0.62981%0.813SS**  trans-114.8106.3158.4173.60000104.9
415W24.8Very low27.7Very low239 Ų239147.3 Ų147.391%0.90581%0.814SS**  trans157.176.9156-93.554.8000107.1
416C26.7Very low27.4Very low133 Ų133151.6 Ų151.690%0.89983%0.825SS**  trans-174123.8146.7-99.90000108.2
417H28.4Very low27.4Very low192 Ų192151.3 Ų151.389%0.88982%0.819SS**  trans-64.4159.9179-102.2-62.7000112.6
418P28.5Very low27.3Very low103 Ų103155 Ų15567%0.66983%0.826SS**  trans-94.8140.3-158.635.9-32.6000113.6
419L31.4Very low27.4Very low169 Ų169158 Ų15889%0.88583%0.832SS**  trans-137.8105.4152.5-75.7176.5000110
420S31.4Very low27.6Very low112 Ų112153.7 Ų153.778%0.78383%0.826SS**  trans32.9115.3145.658.60000121.2
421G27.4Very low27.8Very low69 Ų69156.3 Ų156.371%0.71184%0.835SS**  90.7106120.900000118.4
422L29.1Very low28.1Very low185 Ų185155 Ų15597%0.96984%0.836SS**  175.6137.7125.1-103132.7000111.4
423K23.8Very low28.4Very low196 Ų196152.6 Ų152.685%0.85283%0.83SS**  trans-93.3141175.5-75.3-179.6173.4-178.60110.7
424C29.7Very low28.6Very low140 Ų140155.3 Ų155.395%0.94683%0.83SS**  trans160.2142.4142.5-90.40000108.1
425G29.8Very low28.9Very low75 Ų75155.6 Ų155.677%0.77384%0.838SS**  cis-177.4145.52.500000106.7
426E24.2Very low29.1Very low194 Ų194150 Ų15091%0.90784%0.836SS**  trans-79.1132.9179.6-68.1173.6137.300110.7
427D30.1Very low29.2Very low143 Ų143150 Ų15077%0.76583%0.831SS**  trans-150.9112.4153.6-105.3-33.7000112.8
428R27.3Very low29.1Very low231 Ų231147.8 Ų147.887%0.87283%0.825SS**  trans36.5107.8144.9-58.9179.8-165.5-145.1-1.4119.7
429I30.6Very low29Very low169 Ų169149.7 Ų149.787%0.86783%0.829SS**  trans-113113.7148.7-63.3176.8000109
430S31.7Very low28.6Very low105 Ų105149.6 Ų149.673%0.73482%0.822SS**PPolyproline II helixtrans-79.5151.8175.846.90000111.9
431K28.7Very low28.4Very low207 Ų207150.7 Ų150.790%0.982%0.818SS**PPolyproline II helixtrans-64.6133-171.8-65.2169.9174.3175.80113.4
432F30.6Very low28.3Very low192 Ų192154.1 Ų154.184%0.84282%0.818SS**PPolyproline II helixtrans-83.4140.5164.5-83.6-88.7000111.8
433P33.2Very low28.3Very low118 Ų118151.2 Ų151.277%0.76681%0.809SS**PPolyproline II helixtrans-84.4140.1173.532.8-30000111.8A435P433-A435 PolarHBondContact O-N 3.31Å
434K28.5Very low28.4Very low199 Ų199148 Ų14887%0.86581%0.805SS**  trans-68.3115.8174.8-69.8174.3177.5172.70110.1
435A31.1Very low28.4Very low97 Ų97150 Ų15080%0.80280%0.798SS**  trans-82.8118.7167.400000110.5P433P433-A435 PolarHBondContact O-N 3.31Å
436S29.1Very low28.6Very low122 Ų122151.6 Ų151.685%0.85379%0.794SS**  trans-75.8126174.4-59.40000110.4
437V29Very low29.3Very low133 Ų133147.3 Ų147.381%0.80678%0.783SS**  trans-96.7115.2169.9176.80000108.5
438L26.9Very low29.7Very low145 Ų145148.9 Ų148.976%0.75979%0.786SS**  trans-78.4118.2174.8-166.377.9000108.9F440L438-F440 HydrophobicContact CD2-CD2 4.18Å; L438-F440 HydrophobicContact CD2-CE2 3.77Å
439L25.1Very low30.2Very low143 Ų143147.1 Ų147.175%0.74979%0.785SS**  trans-93.4111.4173.2-167.477.6000109L441L439-L441 PolarHBondContact O-N 2.91Å
440F24.6Very low31Very low167 Ų167145.4 Ų145.473%0.73278%0.782SS**  trans-75.2106.1166.4-96.4-92.9000109.3L438 I442L438-F440 HydrophobicContact CD2-CD2 4.18Å; L438-F440 HydrophobicContact CD2-CE2 3.77Å; F440-I442 PolarHBondContact O-N 3.06Å
441L25.8Very low32Very low135 Ų135150.5 Ų150.571%0.70781%0.809SS**  trans-85.497.6158.3-88.1159.8000107.5L439 T443L439-L441 PolarHBondContact O-N 2.91Å; L441-T443 PolarHBondContact O-N 3.11Å
442I26.1Very low32.1Very low141 Ų141147.7 Ų147.772%0.72381%0.805SS**  trans-72.298.2164.1-62176.6000106.5F440 V444F440-I442 PolarHBondContact O-N 3.06Å; I442-V444 HydrophobicContact CG2-CG2 4.04Å
443T27.9Very low32.2Very low124 Ų124145.3 Ų145.376%0.76180%0.803SS**  trans-84.8104.8164.530.20000107.4L441 K445L441-T443 PolarHBondContact O-N 3.11Å; T443-K445 PolarHBondContact O-N 3.31Å
444V27.3Very low32.2Very low128 Ų128146.8 Ų146.878%0.77681%0.805SS**  trans-75105166.2-178.60000106.7I442I442-V444 HydrophobicContact CG2-CG2 4.04Å
445K29.8Very low32.4Very low183 Ų183143.8 Ų143.880%0.79680%0.801SS**PPolyproline II helixtrans-66.3132.2166-91.9-173.7172.7-172.10108.6T443T443-K445 PolarHBondContact O-N 3.31Å
446P32.8Very low32.5Very low107 Ų107146.7 Ų146.770%0.69580%0.801SS**PPolyproline II helixtrans-67.3146.5167.528.1-31.1000109.8E448P446-E448 PolarHBondContact O-N 2.89Å
447P38.6Very low32.7Very low104 Ų104148.3 Ų148.368%0.67580%0.798SS**PPolyproline II helixtrans-67.3130.8176.226.9-31.3000110.1F449P447-F449 PolarHBondContact O-N 3.09Å
448E39.8Very low32.9Very low176 Ų176149.4 Ų149.482%0.82280%0.797SS**  trans-65112.6168-72.8174.2-179.500108.3P446 T450P446-E448 PolarHBondContact O-N 2.89Å; E448-T450 PolarHBondContact O-N 3.47Å
449F36.7Very low33.4Very low194 Ų194149.8 Ų149.885%0.85180%0.8SS**  trans-78.2105.3161.7-82.7-89.9000107.4P447 T451P447-F449 PolarHBondContact O-N 3.09Å; F449-T451 PolarHBondContact O-N 2.69Å
450T47.4Very low34.1Very low133 Ų133150.3 Ų150.382%0.81681%0.805SS**  trans-73.3119.5161.443.40000108.4E448E448-T450 PolarHBondContact O-N 3.47Å
451T52.6Low35Very low212 Ų212148.8 Ų148.8100%1.30181%0.811SS**  trans-64.90166.246.80000112.3F449F449-T451 PolarHBondContact O-N 2.69Å

Retrieved 451 of 451 residues in 855.4 ms (Link to these results)

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