A0A096MI62_POEFO Loading...

Ring finger protein 228

AlphaFold DB , UniProt , Accession A0A096MI62, Species POEFO (Poecilia formosa, Amazon molly), Gene RNF228, Length 229 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
1Y50Low79.9Confident173 Ų17392.7 Ų92.768%0.67842%0.419SS*.  0-46.40-61.4-75.8000112.2E3 Y79Y1-E3 VanDerWaalsContact C-N 3.25Å; Y1-E3 PolarHBondContact O-N 3.39Å; Y1-E3 VanDerWaalsContact O-N 3.14Å; Y1-Y79 HydrophobicContact CE1-CD1 4.23Å; Y1-Y79 AromaticContact CE1-CE1 3.61Å; Y1-Y79 HydrophobicContact CE1-CE1 3.61Å; Y1-Y79 PolarHBondContact OH-OH 3.39Å
2E60.6Low80.4Confident135 Ų13595.8 Ų95.863%0.63143%0.426SS*.G310 helixtrans-69.9-4.4-179.3-62.6-160.3178.600117.5Y4 K7E2-Y4 VanDerWaalsContact C-N 3.35Å; E2-K7 PolarHBondContact O-NZ 3.25Å; E2-K7 VanDerWaalsContact O-NZ 3.1Å; E2-K7 IonicContact OE2-NZ 2.98Å; E2-K7 PolarHBondContact OE2-NZ 3.44Å
3E69.2Low80.8Confident154 Ų15489.1 Ų89.172%0.7240%0.397SS*.G310 helixtrans-76.5-21.6-178-88.3169.7154.800113.4Y1Y1-E3 VanDerWaalsContact C-N 3.25Å; Y1-E3 PolarHBondContact O-N 3.39Å; Y1-E3 VanDerWaalsContact O-N 3.14Å
4Y80.6Confident80.8Confident62 Ų6284.8 Ų84.824%0.24338%0.379CS..G310 helixtrans-101.311.2-177.4-56.7-78000113.4E2 Y12 F13 V72 D75E2-Y4 VanDerWaalsContact C-N 3.35Å; Y4-Y12 VanDerWaalsContact O-CA 3.3Å; Y4-Y12 WeakPolarHBondContact O-CA 3.46Å; Y4-F13 WeakPolarHBondContact O-CD2 3.09Å; Y4-F13 PolarHBondContact O-N 3.13Å; Y4-V72 HydrophobicContact CD1-CG1 3.72Å; Y4-V72 HydrophobicContact CE1-CG1 4.33Å; Y4-D75 HydrophobicContact CE1-CB 3.83Å; Y4-D75 WeakPolarHBondContact OH-CB 3.02Å; Y4-D75 PolarHBondContact OH-OD2 2.97Å
5E87.4Confident80.8Confident42 Ų4287.5 Ų87.520%0.19640%0.398CS..BIsolated β-bridgetrans-112.1138.3-177.4-65.5175.8165.300111.1K7 N11 Y12E5-K7 PolarHBondContact O-N 3.19Å; E5-N11 WeakPolarHBondContact CA-O 3.23Å; E5-Y12 HydrophobicContact CG-CD1 3.86Å; E5-Y12 HydrophobicContact CG-CE1 3.8Å; E5-Y12 HydrophobicContact CG-CG 4.3Å; E5-Y12 VanDerWaalsContact OE1-CZ 3.27Å; E5-Y12 PolarHBondContact OE1-OH 3.3Å
6C89.8Confident80.8Confident0 Ų090.1 Ų90.10%042%0.416CS..  trans-70.8125.3174.2177.90000110.8I8 C9 Y10 N11 F13 C30 C33C6-I8 PolarHBondContact O-N 3.12Å; C6-C9 VanDerWaalsContact CB-SG 3.56Å; C6-C9 PolarHBondContact O-N 3.2Å; C6-Y10 WeakPolarHBondContact O-CA 3.47Å; C6-Y10 PolarHBondContact O-N 2.87Å; C6-N11 PolarHBondContact N-O 3.46Å; C6-F13 HydrophobicContact CB-CD1 4.41Å; C6-F13 HydrophobicContact CB-CE1 3.73Å; C6-F13 HydrophobicContact CB-CZ 4.15Å; C6-C30 HydrophobicContact CB-CB 3.84Å; C6-C30 PolarHBondContact SG-N 2.87Å; C6-C33 PolarHBondContact SG-SG 3.14Å
7K89.4Confident80.8Confident94 Ų9490.8 Ų90.841%0.40941%0.414SS..THydrogen-bonded Turntrans-69.4-2-180-56.8-59-176.6-170.70115.3E2 E5 F29E2-K7 PolarHBondContact O-NZ 3.25Å; E2-K7 VanDerWaalsContact O-NZ 3.1Å; E2-K7 IonicContact OE2-NZ 2.98Å; E2-K7 PolarHBondContact OE2-NZ 3.44Å; E5-K7 PolarHBondContact O-N 3.19Å; K7-F29 HydrophobicContact CB-CE1 4.23Å
8I91.1Very high81.1Confident65 Ų6589.7 Ų89.733%0.33341%0.406SS..THydrogen-bonded Turntrans-97.2-50.7175.2-62.3162.5000110.9C6 F29 C33 L37 P50C6-I8 PolarHBondContact O-N 3.12Å; I8-F29 HydrophobicContact CD1-CB 4.08Å; I8-F29 HydrophobicContact CD1-CD1 3.41Å; I8-F29 VanDerWaalsContact CD1-CD1 3.41Å; I8-F29 HydrophobicContact CD1-CE1 4.02Å; I8-F29 HydrophobicContact CD1-CG 3.87Å; I8-F29 HydrophobicContact CG1-CD1 3.6Å; I8-F29 HydrophobicContact CG1-CE1 3.92Å; I8-C33 HydrophobicContact CB-CB 4.18Å; I8-C33 HydrophobicContact CD1-CB 3.68Å; I8-C33 HydrophobicContact CG2-CB 4.23Å; I8-L37 HydrophobicContact CD1-CD1 3.89Å; I8-P50 HydrophobicContact CD1-CG 4.07Å
9C89.2Confident81.6Confident42 Ų4285.2 Ų85.228%0.28439%0.386SS..THydrogen-bonded Turntrans-104.3-5.3-174.966.60000113.7C6 N11 C33C6-C9 VanDerWaalsContact CB-SG 3.56Å; C6-C9 PolarHBondContact O-N 3.2Å; C9-N11 PolarHBondContact O-N 3.34Å; C9-N11 VanDerWaalsContact O-N 3.1Å; C9-N11 PolarHBondContact O-ND2 3.21Å; C9-C33 PolarHBondContact SG-SG 3.2Å
10Y87.1Confident82.1Confident166 Ų16681.1 Ų81.165%0.65137%0.368SS*.  trans52.728.3-177.5-56.3-84.3000113.9C6C6-Y10 WeakPolarHBondContact O-CA 3.47Å; C6-Y10 PolarHBondContact O-N 2.87Å
11N84.5Confident82.7Confident87 Ų8777.8 Ų77.847%0.46535%0.353SS..  trans-105152174-73.3-89.6000109.9E5 C6 C9E5-N11 WeakPolarHBondContact CA-O 3.23Å; C6-N11 PolarHBondContact N-O 3.46Å; C9-N11 PolarHBondContact O-N 3.34Å; C9-N11 VanDerWaalsContact O-N 3.1Å; C9-N11 PolarHBondContact O-ND2 3.21Å
12Y85.4Confident84.8Confident129 Ų12971 Ų7151%0.50633%0.329SS..BIsolated β-bridgetrans-61142.1172.5-67-82000112Y4 E5 R18Y4-Y12 VanDerWaalsContact O-CA 3.3Å; Y4-Y12 WeakPolarHBondContact O-CA 3.46Å; E5-Y12 HydrophobicContact CG-CD1 3.86Å; E5-Y12 HydrophobicContact CG-CE1 3.8Å; E5-Y12 HydrophobicContact CG-CG 4.3Å; E5-Y12 VanDerWaalsContact OE1-CZ 3.27Å; E5-Y12 PolarHBondContact OE1-OH 3.3Å; Y12-R18 WeakPolarHBondContact O-CD 3.08Å; Y12-R18 PolarHBondContact O-NE 3.03Å
13F85.6Confident86.4Confident9 Ų964.9 Ų64.94%0.03930%0.3CS..  trans-64.5149.6171.3-60.2-64.9000110.8Y4 C6 R18 P20 T28 C30 V72 F76Y4-F13 WeakPolarHBondContact O-CD2 3.09Å; Y4-F13 PolarHBondContact O-N 3.13Å; C6-F13 HydrophobicContact CB-CD1 4.41Å; C6-F13 HydrophobicContact CB-CE1 3.73Å; C6-F13 HydrophobicContact CB-CZ 4.15Å; F13-R18 WeakPolarHBondContact CA-O 3.14Å; F13-R18 WeakPolarHBondContact CB-O 3.47Å; F13-R18 WeakPolarHBondContact CD1-O 3.39Å; F13-P20 HydrophobicContact CB-CB 4.25Å; F13-P20 HydrophobicContact CB-CG 4.34Å; F13-P20 HydrophobicContact CD1-CB 3.73Å; F13-P20 HydrophobicContact CD2-CB 4.13Å; F13-P20 HydrophobicContact CE1-CB 4.04Å; F13-P20 HydrophobicContact CE2-CB 4.41Å; F13-P20 HydrophobicContact CG-CB 3.77Å; F13-P20 HydrophobicContact CG-CG 4.39Å; F13-P20 HydrophobicContact CZ-CB 4.37Å; F13-T28 HydrophobicContact CE1-CG2 4.49Å; F13-T28 HydrophobicContact CZ-CG2 4.08Å; F13-C30 HydrophobicContact CD1-CB 4.29Å; F13-C30 HydrophobicContact CE1-CB 4.26Å; F13-V72 HydrophobicContact CB-CG1 4.43Å; F13-V72 HydrophobicContact CD2-CG1 3.36Å; F13-V72 HydrophobicContact CE2-CG1 3.88Å; F13-V72 HydrophobicContact CG-CG1 4.18Å; F13-F76 VanDerWaalsContact O-CE2 3.23Å; F13-F76 WeakPolarHBondContact O-CE2 3.33Å; F13-F76 WeakPolarHBondContact O-CZ 3.29Å
14D81.6Confident87.6Confident29 Ų2962.8 Ų62.816%0.15529%0.29CS..  trans-135.4172.3173.867.130.2000109.8D16 R17 R18 A19D14-D16 VanDerWaalsContact C-N 3.28Å; D14-D16 PolarHBondContact OD1-N 3.48Å; D14-R17 PolarHBondContact OD1-N 2.99Å; D14-R18 HydrophobicContact CB-CB 4.45Å; D14-R18 PolarHBondContact N-O 2.91Å; D14-R18 VanDerWaalsContact N-O 3.17Å; D14-R18 CarbonylContact O-C 3.54Å; D14-R18 VanDerWaalsContact O-C 3.28Å; D14-R18 VanDerWaalsContact OD1-CA 3.31Å; D14-R18 WeakPolarHBondContact OD1-CA 3.32Å; D14-R18 WeakPolarHBondContact OD1-CB 3.5Å; D14-R18 PolarHBondContact OD1-N 2.78Å; D14-R18 IonicContact OD2-CZ 3.25Å; D14-R18 IonicContact OD2-NE 2.68Å; D14-R18 PolarHBondContact OD2-NE 3.14Å; D14-R18 IonicContact OD2-NH1 2.86Å; D14-R18 PolarHBondContact OD2-NH1 2.86Å; D14-R18 IonicContact OD2-NH2 3.3Å; D14-R18 PolarHBondContact OD2-NH2 2.83Å; D14-A19 WeakPolarHBondContact O-CA 3.25Å; D14-A19 PolarHBondContact O-N 3.24Å; D14-A19 VanDerWaalsContact O-N 3.12Å
15L80.1Confident88.3Confident125 Ų12561.3 Ų61.365%0.65429%0.288SS*.SBendtrans-80.9-9179.7-69.2169000113.4T73L15-T73 HydrophobicContact CD2-CG2 3.59Å
16D81Confident88.6Confident129 Ų12965.6 Ų65.669%0.6931%0.312SS*.SBendtrans-102.6-93.8-173.1-62.6-41.7000110.5D14D14-D16 VanDerWaalsContact C-N 3.28Å; D14-D16 PolarHBondContact OD1-N 3.48Å
17R80.6Confident88.7Confident102 Ų10268.8 Ų68.839%0.38533%0.327SS..THydrogen-bonded Turntrans-93.1-19.5-169.3-54.6-174.676.6156.19.9113.3D14 E32 Q141D14-R17 PolarHBondContact OD1-N 2.99Å; R17-E32 WeakPolarHBondContact O-CB 3.44Å; R17-E32 PolarHBondContact O-N 3.37Å; R17-Q141 VanDerWaalsContact CD-OE1 3.32Å
18R86.7Confident88.9Confident71 Ų7165.5 Ų65.527%0.26832%0.315SS..THydrogen-bonded Turntrans-109.431.8176.4-60.9-173.5-67.9-72-7.1110.5Y12 F13 D14 C30Y12-R18 WeakPolarHBondContact O-CD 3.08Å; Y12-R18 PolarHBondContact O-NE 3.03Å; F13-R18 WeakPolarHBondContact CA-O 3.14Å; F13-R18 WeakPolarHBondContact CB-O 3.47Å; F13-R18 WeakPolarHBondContact CD1-O 3.39Å; D14-R18 HydrophobicContact CB-CB 4.45Å; D14-R18 PolarHBondContact N-O 2.91Å; D14-R18 VanDerWaalsContact N-O 3.17Å; D14-R18 CarbonylContact O-C 3.54Å; D14-R18 VanDerWaalsContact O-C 3.28Å; D14-R18 VanDerWaalsContact OD1-CA 3.31Å; D14-R18 WeakPolarHBondContact OD1-CA 3.32Å; D14-R18 WeakPolarHBondContact OD1-CB 3.5Å; D14-R18 PolarHBondContact OD1-N 2.78Å; D14-R18 IonicContact OD2-CZ 3.25Å; D14-R18 IonicContact OD2-NE 2.68Å; D14-R18 PolarHBondContact OD2-NE 3.14Å; D14-R18 IonicContact OD2-NH1 2.86Å; D14-R18 PolarHBondContact OD2-NH1 2.86Å; D14-R18 IonicContact OD2-NH2 3.3Å; D14-R18 PolarHBondContact OD2-NH2 2.83Å; R18-C30 HydrophobicContact CB-CB 4.03Å; R18-C30 HydrophobicContact CG-CB 4.26Å
19A90Very high89.1Confident4 Ų462.5 Ų62.53%0.03330%0.299CS..  trans-49.9128.6168.800000110.1D14 K21 E31D14-A19 WeakPolarHBondContact O-CA 3.25Å; D14-A19 PolarHBondContact O-N 3.24Å; D14-A19 VanDerWaalsContact O-N 3.12Å; A19-K21 PolarHBondContact O-N 3.01Å; A19-K21 VanDerWaalsContact O-N 3.07Å; A19-E31 HydrophobicContact CB-CB 4.28Å; A19-E31 PolarHBondContact O-N 2.79Å
20P92.9Very high89.3Confident4 Ų460.6 Ų60.63%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-74.4100-177.227.4-31.4000109.5F13 T28 N68 N69 V72F13-P20 HydrophobicContact CB-CB 4.25Å; F13-P20 HydrophobicContact CB-CG 4.34Å; F13-P20 HydrophobicContact CD1-CB 3.73Å; F13-P20 HydrophobicContact CD2-CB 4.13Å; F13-P20 HydrophobicContact CE1-CB 4.04Å; F13-P20 HydrophobicContact CE2-CB 4.41Å; F13-P20 HydrophobicContact CG-CB 3.77Å; F13-P20 HydrophobicContact CG-CG 4.39Å; F13-P20 HydrophobicContact CZ-CB 4.37Å; P20-T28 HydrophobicContact CB-CG2 3.63Å; P20-N68 CarbonylContact O-C 3.45Å; P20-N68 WeakPolarHBondContact O-CA 3.39Å; P20-N69 HydrophobicContact CB-CB 4.43Å; P20-N69 PolarHBondContact O-N 3.35Å; P20-V72 HydrophobicContact CB-CB 4.29Å; P20-V72 HydrophobicContact CB-CG1 4.2Å; P20-V72 HydrophobicContact CG-CB 4.2Å; P20-V72 HydrophobicContact CG-CG1 4.24Å
21K93.8Very high89.6Confident11 Ų1154.8 Ų54.85%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-87.9130.5178.3-62.2-63.8176.6-172.90110.6A19 T28 F29 E31 L34 Q64 L66 P67 N68A19-K21 PolarHBondContact O-N 3.01Å; A19-K21 VanDerWaalsContact O-N 3.07Å; K21-T28 WeakPolarHBondContact O-CA 3.05Å; K21-F29 PolarHBondContact N-O 2.83Å; K21-F29 PolarHBondContact O-N 3.39Å; K21-E31 WeakPolarHBondContact CE-OE2 3.21Å; K21-E31 HydrophobicContact CG-CB 3.98Å; K21-E31 IonicContact NZ-OE2 3.64Å; K21-E31 PolarHBondContact NZ-OE2 3.07Å; K21-L34 HydrophobicContact CB-CD1 3.52Å; K21-L34 HydrophobicContact CG-CD1 4.25Å; K21-Q64 PolarHBondContact NZ-O 3.31Å; K21-L66 HydrophobicContact CB-CB 4.38Å; K21-L66 HydrophobicContact CD-CB 4.08Å; K21-L66 WeakPolarHBondContact CD-O 3.3Å; K21-L66 PolarHBondContact NZ-O 3.21Å; K21-P67 WeakPolarHBondContact CA-O 3.45Å; K21-N68 VanDerWaalsContact CD-OD1 3.26Å; K21-N68 WeakPolarHBondContact CD-OD1 3.36Å; K21-N68 VanDerWaalsContact CE-OD1 3.28Å; K21-N68 WeakPolarHBondContact CE-OD1 2.87Å; K21-N68 PolarHBondContact NZ-OD1 2.72Å
22I94Very high90Very high32 Ų3252.6 Ų52.616%0.16425%0.252CS..EExtended strand (participates in β ladder)trans-98.3130.8176.6-166.9167.9000110.8L26 P67 N69I22-L26 HydrophobicContact CD1-CB 4.4Å; I22-L26 HydrophobicContact CD1-CD2 3.97Å; I22-P67 HydrophobicContact CG2-CB 3.97Å; I22-P67 HydrophobicContact CG2-CG 3.7Å; I22-P67 WeakPolarHBondContact CG2-O 3.24Å; I22-P67 PolarHBondContact N-O 3.37Å; I22-N69 HydrophobicContact CB-CB 4.21Å
23L95Very high90.5Very high5 Ų547 Ų473%0.02623%0.232CC..PPolyproline II helixtrans-85.2167.3173.6-68.3150.8000110.5C25 L26 H27 F29 L34 I47 C49 T56L23-C25 PolarHBondContact O-N 2.89Å; L23-C25 VanDerWaalsContact O-N 3.14Å; L23-L26 WeakPolarHBondContact O-CA 3.3Å; L23-L26 PolarHBondContact O-N 3.14Å; L23-H27 HydrophobicContact CD1-CB 4.48Å; L23-H27 PolarHBondContact N-O 3.1Å; L23-F29 HydrophobicContact CD1-CD2 3.52Å; L23-F29 HydrophobicContact CD1-CE2 3.53Å; L23-L34 HydrophobicContact CD1-CD2 4.4Å; L23-I47 HydrophobicContact CD2-CG2 3.53Å; L23-C49 HydrophobicContact CD1-CB 4.09Å; L23-T56 HydrophobicContact CD2-CG2 4.01Å
24E94Very high90.9Very high111 Ų11146.6 Ų46.652%0.51923%0.23SC..THydrogen-bonded Turntrans-59.5-27175.7-80.8174.1167.100113.3L26 H54 T56 P57E24-L26 PolarHBondContact O-N 3.3Å; E24-H54 IonicContact OE2-NE2 3.65Å; E24-T56 HydrophobicContact CB-CG2 4.24Å; E24-T56 WeakPolarHBondContact CB-OG1 3.38Å; E24-T56 HydrophobicContact CG-CG2 3.91Å; E24-T56 PolarHBondContact N-OG1 2.91Å; E24-P57 WeakPolarHBondContact OE1-CD 3.3Å; E24-P57 VanDerWaalsContact OE1-CG 3.23Å; E24-P57 WeakPolarHBondContact OE1-CG 3.43Å; E24-P57 WeakPolarHBondContact OE2-CD 2.99Å
25C95.1Very high91.5Very high30 Ų3048.7 Ų48.720%0.20324%0.241CC..THydrogen-bonded Turntrans-79.38174.162.50000114.3L23 H27 C52 H54L23-C25 PolarHBondContact O-N 2.89Å; L23-C25 VanDerWaalsContact O-N 3.14Å; C25-H27 PolarHBondContact O-N 3.03Å; C25-H27 VanDerWaalsContact O-N 3.13Å; C25-H27 PolarHBondContact SG-ND1 2.95Å; C25-H27 VanDerWaalsContact SG-ND1 3.39Å; C25-C52 VanDerWaalsContact CB-SG 3.53Å; C25-H54 HydrophobicContact CB-CB 3.7Å
26L92.8Very high92Very high133 Ų13345.1 Ų45.170%0.69623%0.225SC*.SBendtrans664.1-179.3-52175.2000115.8I22 L23 E24I22-L26 HydrophobicContact CD1-CB 4.4Å; I22-L26 HydrophobicContact CD1-CD2 3.97Å; L23-L26 WeakPolarHBondContact O-CA 3.3Å; L23-L26 PolarHBondContact O-N 3.14Å; E24-L26 PolarHBondContact O-N 3.3Å
27H93.7Very high92.5Very high66 Ų6641.7 Ų41.731%0.30621%0.206SC..  trans-74.3138.3169-66.6118.2000111L23 C25 F29 C49 C52L23-H27 HydrophobicContact CD1-CB 4.48Å; L23-H27 PolarHBondContact N-O 3.1Å; C25-H27 PolarHBondContact O-N 3.03Å; C25-H27 VanDerWaalsContact O-N 3.13Å; C25-H27 PolarHBondContact SG-ND1 2.95Å; C25-H27 VanDerWaalsContact SG-ND1 3.39Å; H27-F29 HydrophobicContact CB-CD2 4.42Å; H27-F29 HydrophobicContact CB-CE2 3.55Å; H27-F29 HydrophobicContact CB-CZ 4.05Å; H27-C49 PolarHBondContact ND1-SG 3.48Å; H27-C49 VanDerWaalsContact ND1-SG 3.39Å; H27-C52 PolarHBondContact ND1-SG 2.9Å; H27-C52 VanDerWaalsContact ND1-SG 3.44Å
28T93.4Very high93Very high25 Ų2537.7 Ų37.715%0.15319%0.192CC..EExtended strand (participates in β ladder)trans-112.2133.9-176.6-55.90000110.7F13 P20 K21 N69F13-T28 HydrophobicContact CE1-CG2 4.49Å; F13-T28 HydrophobicContact CZ-CG2 4.08Å; P20-T28 HydrophobicContact CB-CG2 3.63Å; K21-T28 WeakPolarHBondContact O-CA 3.05Å; T28-N69 HydrophobicContact CG2-CB 3.81Å; T28-N69 PolarHBondContact OG1-ND2 2.68Å
29F94.1Very high93.1Very high3 Ų340.8 Ų40.81%0.01321%0.213CC..EExtended strand (participates in β ladder)trans-142.5162.7178.6-59.2-81.6000110.9K7 I8 K21 L23 H27 L34 P50 V51K7-F29 HydrophobicContact CB-CE1 4.23Å; I8-F29 HydrophobicContact CD1-CB 4.08Å; I8-F29 HydrophobicContact CD1-CD1 3.41Å; I8-F29 VanDerWaalsContact CD1-CD1 3.41Å; I8-F29 HydrophobicContact CD1-CE1 4.02Å; I8-F29 HydrophobicContact CD1-CG 3.87Å; I8-F29 HydrophobicContact CG1-CD1 3.6Å; I8-F29 HydrophobicContact CG1-CE1 3.92Å; K21-F29 PolarHBondContact N-O 2.83Å; K21-F29 PolarHBondContact O-N 3.39Å; L23-F29 HydrophobicContact CD1-CD2 3.52Å; L23-F29 HydrophobicContact CD1-CE2 3.53Å; H27-F29 HydrophobicContact CB-CD2 4.42Å; H27-F29 HydrophobicContact CB-CE2 3.55Å; H27-F29 HydrophobicContact CB-CZ 4.05Å; F29-L34 HydrophobicContact CB-CD1 4.31Å; F29-L34 HydrophobicContact CB-CD2 3.8Å; F29-L34 HydrophobicContact CB-CG 3.85Å; F29-L34 HydrophobicContact CD2-CD2 4.02Å; F29-L34 HydrophobicContact CG-CD2 4.15Å; F29-P50 HydrophobicContact CE1-CG 4.44Å; F29-P50 HydrophobicContact CZ-CB 4.42Å; F29-P50 HydrophobicContact CZ-CG 4.23Å; F29-V51 HydrophobicContact CE1-CG2 4.29Å; F29-V51 HydrophobicContact CZ-CG2 3.77Å
30C93.7Very high92.9Very high1 Ų150.6 Ų50.61%0.00725%0.249CC..EExtended strand (participates in β ladder)trans-69.7142.3179.196.70000111C6 F13 R18 E32 C33 L34C6-C30 HydrophobicContact CB-CB 3.84Å; C6-C30 PolarHBondContact SG-N 2.87Å; F13-C30 HydrophobicContact CD1-CB 4.29Å; F13-C30 HydrophobicContact CE1-CB 4.26Å; R18-C30 HydrophobicContact CB-CB 4.03Å; R18-C30 HydrophobicContact CG-CB 4.26Å; C30-E32 VanDerWaalsContact C-N 3.34Å; C30-E32 PolarHBondContact O-N 3.24Å; C30-C33 HydrophobicContact CB-CB 4.22Å; C30-C33 WeakPolarHBondContact CB-SG 3.35Å; C30-C33 VanDerWaalsContact O-CB 3.3Å; C30-C33 WeakPolarHBondContact O-CB 3.47Å; C30-C33 PolarHBondContact O-N 3.18Å; C30-C33 WeakPolarHBondContact SG-CB 3.33Å; C30-C33 PolarHBondContact SG-N 3.43Å; C30-C33 CovalentContact SG-SG 2.08Å; C30-C33 PolarHBondContact SG-SG 2.95Å; C30-L34 PolarHBondContact O-N 3Å
31E93.9Very high92.6Very high44 Ų4453.4 Ų53.421%0.20626%0.262CS..Hα-helixtrans-53.6-47.5177.4178.6171.4156.100112.3A19 K21 C33 L34 N35 I63 Q64A19-E31 HydrophobicContact CB-CB 4.28Å; A19-E31 PolarHBondContact O-N 2.79Å; K21-E31 WeakPolarHBondContact CE-OE2 3.21Å; K21-E31 HydrophobicContact CG-CB 3.98Å; K21-E31 IonicContact NZ-OE2 3.64Å; K21-E31 PolarHBondContact NZ-OE2 3.07Å; E31-C33 PolarHBondContact O-N 2.95Å; E31-L34 PolarHBondContact O-N 3.27Å; E31-N35 WeakPolarHBondContact O-CB 3.28Å; E31-N35 PolarHBondContact O-N 3.1Å; E31-I63 HydrophobicContact CG-CG2 4.23Å; E31-Q64 WeakPolarHBondContact OE1-CB 3.26Å
32E93.4Very high92Very high41 Ų4161.6 Ų61.619%0.19230%0.3CS..Hα-helixtrans-55-39.1176.6-175179.4-176.900112.6R17 C30 T36 Q141 R145R17-E32 WeakPolarHBondContact O-CB 3.44Å; R17-E32 PolarHBondContact O-N 3.37Å; C30-E32 VanDerWaalsContact C-N 3.34Å; C30-E32 PolarHBondContact O-N 3.24Å; E32-T36 PolarHBondContact O-N 2.9Å; E32-T36 VanDerWaalsContact O-N 3.07Å; E32-T36 PolarHBondContact O-OG1 2.74Å; E32-Q141 PolarHBondContact OE1-NE2 3.16Å; E32-Q141 PolarHBondContact OE2-NE2 2.97Å; E32-R145 IonicContact OE1-NH2 3.29Å; E32-R145 PolarHBondContact OE1-NH2 2.86Å
33C94.3Very high91.6Very high12 Ų1265 Ų658%0.08131%0.311CS..Hα-helixtrans-70.4-47.7-177.5-52.40000110.7C6 I8 C9 C30 E31 N35 T36 L37C6-C33 PolarHBondContact SG-SG 3.14Å; I8-C33 HydrophobicContact CB-CB 4.18Å; I8-C33 HydrophobicContact CD1-CB 3.68Å; I8-C33 HydrophobicContact CG2-CB 4.23Å; C9-C33 PolarHBondContact SG-SG 3.2Å; C30-C33 HydrophobicContact CB-CB 4.22Å; C30-C33 WeakPolarHBondContact CB-SG 3.35Å; C30-C33 VanDerWaalsContact O-CB 3.3Å; C30-C33 WeakPolarHBondContact O-CB 3.47Å; C30-C33 PolarHBondContact O-N 3.18Å; C30-C33 WeakPolarHBondContact SG-CB 3.33Å; C30-C33 PolarHBondContact SG-N 3.43Å; C30-C33 CovalentContact SG-SG 2.08Å; C30-C33 PolarHBondContact SG-SG 2.95Å; E31-C33 PolarHBondContact O-N 2.95Å; C33-N35 VanDerWaalsContact C-N 3.34Å; C33-T36 PolarHBondContact O-N 3.03Å; C33-L37 WeakPolarHBondContact O-CG 3.17Å; C33-L37 PolarHBondContact O-N 3.46Å; C33-L37 VanDerWaalsContact O-N 3.12Å
34L94.5Very high91Very high0 Ų067.7 Ų67.70%033%0.329CS..Hα-helixtrans-65.4-37.7176.8-68.8-175000111.7K21 L23 F29 C30 E31 T36 L37 H38 I47 I63 L66K21-L34 HydrophobicContact CB-CD1 3.52Å; K21-L34 HydrophobicContact CG-CD1 4.25Å; L23-L34 HydrophobicContact CD1-CD2 4.4Å; F29-L34 HydrophobicContact CB-CD1 4.31Å; F29-L34 HydrophobicContact CB-CD2 3.8Å; F29-L34 HydrophobicContact CB-CG 3.85Å; F29-L34 HydrophobicContact CD2-CD2 4.02Å; F29-L34 HydrophobicContact CG-CD2 4.15Å; C30-L34 PolarHBondContact O-N 3Å; E31-L34 PolarHBondContact O-N 3.27Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-T36 PolarHBondContact O-N 3.07Å; L34-L37 HydrophobicContact CD2-CD1 4.41Å; L34-L37 PolarHBondContact O-N 3.45Å; L34-H38 VanDerWaalsContact O-CB 3.3Å; L34-H38 WeakPolarHBondContact O-CB 3.37Å; L34-H38 PolarHBondContact O-N 3.25Å; L34-I47 HydrophobicContact CB-CD1 4Å; L34-I47 HydrophobicContact CD2-CD1 3.84Å; L34-I47 HydrophobicContact CG-CD1 4.45Å; L34-I47 WeakPolarHBondContact O-CD1 3.46Å; L34-I63 HydrophobicContact CB-CD1 4.47Å; L34-I63 HydrophobicContact CB-CG1 4.48Å; L34-I63 HydrophobicContact CB-CG2 3.48Å; L34-I63 VanDerWaalsContact CB-CG2 3.48Å; L34-I63 HydrophobicContact CD1-CG2 4.27Å; L34-L66 HydrophobicContact CD1-CD1 4.22Å
35N93.7Very high90.7Very high73 Ų7367.5 Ų67.539%0.3932%0.323SS..Hα-helixtrans-63-40.3176-163.655.1000111.6E31 C33 L37 H38 L39E31-N35 WeakPolarHBondContact O-CB 3.28Å; E31-N35 PolarHBondContact O-N 3.1Å; C33-N35 VanDerWaalsContact C-N 3.34Å; N35-L37 VanDerWaalsContact C-N 3.33Å; N35-L37 PolarHBondContact O-N 3.03Å; N35-H38 PolarHBondContact O-N 3.17Å; N35-L39 VanDerWaalsContact O-CG 3.29Å; N35-L39 WeakPolarHBondContact O-CG 3.23Å; N35-L39 PolarHBondContact O-N 3.22Å
36T91.5Very high90.6Very high51 Ų5171.1 Ų71.131%0.31333%0.333SS..Hα-helixtrans-63.7-38.4175.3-57.70000112.4E32 C33 L34E32-T36 PolarHBondContact O-N 2.9Å; E32-T36 VanDerWaalsContact O-N 3.07Å; E32-T36 PolarHBondContact O-OG1 2.74Å; C33-T36 PolarHBondContact O-N 3.03Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-T36 PolarHBondContact O-N 3.07Å
37L91.4Very high90.7Very high57 Ų5764.9 Ų64.930%0.29830%0.3SS..Hα-helixtrans-70.2-43176.3-69.8171.4000111.7I8 C33 L34 N35 L39 R40 E41 I47 P50I8-L37 HydrophobicContact CD1-CD1 3.89Å; C33-L37 WeakPolarHBondContact O-CG 3.17Å; C33-L37 PolarHBondContact O-N 3.46Å; C33-L37 VanDerWaalsContact O-N 3.12Å; L34-L37 HydrophobicContact CD2-CD1 4.41Å; L34-L37 PolarHBondContact O-N 3.45Å; N35-L37 VanDerWaalsContact C-N 3.33Å; N35-L37 PolarHBondContact O-N 3.03Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.35Å; L37-R40 PolarHBondContact O-N 3.33Å; L37-E41 PolarHBondContact O-N 2.97Å; L37-I47 HydrophobicContact CB-CD1 4.11Å; L37-P50 HydrophobicContact CD1-CG 3.53Å
38H91.4Very high90.7Very high18 Ų1863.2 Ų63.28%0.08330%0.296CS..Hα-helixtrans-60.9-39.5179-171.7-116.7000112.6L34 N35 R40 E41 P44 I47 Y61 I63L34-H38 VanDerWaalsContact O-CB 3.3Å; L34-H38 WeakPolarHBondContact O-CB 3.37Å; L34-H38 PolarHBondContact O-N 3.25Å; N35-H38 PolarHBondContact O-N 3.17Å; H38-R40 PolarHBondContact O-N 3.12Å; H38-E41 WeakPolarHBondContact O-CB 3.46Å; H38-E41 PolarHBondContact O-N 2.08Å; H38-E41 VanDerWaalsContact O-N 3.12Å; H38-P44 PolarHBondContact CE1-O 3.37Å; H38-P44 PolarHBondContact NE2-O 2.98Å; H38-I47 HydrophobicContact CB-CD1 4.28Å; H38-Y61 PolarHBondContact CE1-O 3.04Å; H38-I63 HydrophobicContact CB-CD1 3.81Å; H38-I63 HydrophobicContact CB-CG1 3.69Å
39L88.2Confident90.8Very high135 Ų13562.1 Ų62.171%0.70729%0.289SS*.THydrogen-bonded Turntrans-62.5-23.5174.4-74.4168.6000113.9N35 L37N35-L39 VanDerWaalsContact O-CG 3.29Å; N35-L39 WeakPolarHBondContact O-CG 3.23Å; N35-L39 PolarHBondContact O-N 3.22Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.35Å
40R86.4Confident90.8Very high210 Ų21065 Ų6579%0.79231%0.308SS*.THydrogen-bonded Turntrans-94.1-11.2178-65.6179177.4-169.4-1112.7L37 H38L37-R40 PolarHBondContact O-N 3.33Å; H38-R40 PolarHBondContact O-N 3.12Å
41E85.3Confident90.7Very high64 Ų6469.3 Ų69.330%0.29933%0.334SS..  trans-80.8134.2-176.8-16689.7-124.500109.7L37 H38 R43 S48L37-E41 PolarHBondContact O-N 2.97Å; H38-E41 WeakPolarHBondContact O-CB 3.46Å; H38-E41 PolarHBondContact O-N 2.08Å; H38-E41 VanDerWaalsContact O-N 3.12Å; E41-R43 PolarHBondContact O-N 3.06Å; E41-S48 PolarHBondContact OE2-N 3.09Å; E41-S48 PolarHBondContact OE2-OG 3.22Å
42E82.4Confident90.7Very high183 Ų18370.1 Ų70.186%0.85534%0.344SS*.SBendtrans-66-18.9178.2-63.9179.8174.900113
43R85.8Confident90.7Very high103 Ų10378.4 Ų78.439%0.38937%0.374SS..  trans-119.695.8-173.1-65.3-174.5175.71271.2110.6E41 W45 R46E41-R43 PolarHBondContact O-N 3.06Å; R43-W45 HydrophobicContact CB-CD2 4.07Å; R43-W45 HydrophobicContact CB-CE3 4.04Å; R43-W45 HydrophobicContact CB-CH2 3.82Å; R43-W45 HydrophobicContact CB-CZ2 3.85Å; R43-W45 HydrophobicContact CB-CZ3 3.91Å; R43-W45 VanDerWaalsContact CD-CZ2 3.49Å; R43-W45 HydrophobicContact CG-CH2 3.54Å; R43-W45 HydrophobicContact CG-CZ2 3.66Å; R43-W45 HydrophobicContact CG-CZ3 4.07Å; R43-W45 PolarHBondContact O-N 2.94Å; R43-R46 PolarHBondContact O-N 3.04Å; R43-R46 VanDerWaalsContact O-N 3.16Å
44P82.8Confident90.7Very high62 Ų6282 Ų8240%0.40339%0.389SS..THydrogen-bonded Turntrans-67-6.8-173.926.8-36.3000114.6H38H38-P44 PolarHBondContact CE1-O 3.37Å; H38-P44 PolarHBondContact NE2-O 2.98Å
45W87.4Confident90.7Very high106 Ų10688 Ų8840%0.40241%0.412SS..THydrogen-bonded Turntrans-92.3-4.617865.798.2000114.6R43 P57 V58 Y61R43-W45 HydrophobicContact CB-CD2 4.07Å; R43-W45 HydrophobicContact CB-CE3 4.04Å; R43-W45 HydrophobicContact CB-CH2 3.82Å; R43-W45 HydrophobicContact CB-CZ2 3.85Å; R43-W45 HydrophobicContact CB-CZ3 3.91Å; R43-W45 VanDerWaalsContact CD-CZ2 3.49Å; R43-W45 HydrophobicContact CG-CH2 3.54Å; R43-W45 HydrophobicContact CG-CZ2 3.66Å; R43-W45 HydrophobicContact CG-CZ3 4.07Å; R43-W45 PolarHBondContact O-N 2.94Å; W45-P57 WeakPolarHBondContact O-CA 3.14Å; W45-V58 PolarHBondContact O-N 2.81Å; W45-Y61 HydrophobicContact CB-CD1 3.75Å; W45-Y61 HydrophobicContact CB-CE1 3.62Å
46R92.6Very high90.8Very high107 Ų10784.7 Ų84.740%0.40439%0.394SS..EExtended strand (participates in β ladder)trans-141.2155176.4-67.9179.9-137.3-94.71.4110.5R43 T56R43-R46 PolarHBondContact O-N 3.04Å; R43-R46 VanDerWaalsContact O-N 3.16Å; R46-T56 CarbonylContact C-O 3.45Å; R46-T56 VanDerWaalsContact CA-O 3.24Å; R46-T56 WeakPolarHBondContact CA-O 3.4Å
47I94.3Very high90.9Very high1 Ų184.8 Ų84.81%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-126.5137.6169.6-175.4162.3000109.3L23 L34 L37 H38 R55 T56 V58 I63L23-I47 HydrophobicContact CD2-CG2 3.53Å; L34-I47 HydrophobicContact CB-CD1 4Å; L34-I47 HydrophobicContact CD2-CD1 3.84Å; L34-I47 HydrophobicContact CG-CD1 4.45Å; L34-I47 WeakPolarHBondContact O-CD1 3.46Å; L37-I47 HydrophobicContact CB-CD1 4.11Å; H38-I47 HydrophobicContact CB-CD1 4.28Å; I47-R55 WeakPolarHBondContact O-CA 3.5Å; I47-T56 PolarHBondContact N-O 2.87Å; I47-T56 PolarHBondContact O-N 3.31Å; I47-V58 HydrophobicContact CB-CG2 4.06Å; I47-V58 HydrophobicContact CG2-CG2 3.8Å; I47-I63 HydrophobicContact CD1-CD1 3.9Å; I47-I63 HydrophobicContact CG2-CD1 4.47Å
48S94.8Very high91Very high32 Ų3282.4 Ų82.422%0.22438%0.383CS..EExtended strand (participates in β ladder)trans-88.4128.9176-55.10000110.5E41 P50E41-S48 PolarHBondContact OE2-N 3.09Å; E41-S48 PolarHBondContact OE2-OG 3.22Å; S48-P50 WeakPolarHBondContact O-CD 3.41Å
49C94.9Very high90.9Very high2 Ų284.2 Ų84.21%0.01440%0.397CS..  trans-61.8128.3174.9179.70000110.8L23 H27 V51 R53 H54L23-C49 HydrophobicContact CD1-CB 4.09Å; H27-C49 PolarHBondContact ND1-SG 3.48Å; H27-C49 VanDerWaalsContact ND1-SG 3.39Å; C49-V51 PolarHBondContact O-N 3.46Å; C49-V51 PolarHBondContact SG-N 3.45Å; C49-R53 WeakPolarHBondContact O-CA 3.47Å; C49-R53 PolarHBondContact O-N 2.84Å; C49-H54 WeakPolarHBondContact CB-O 3.46Å; C49-H54 PolarHBondContact N-O 3.12Å
50P93.6Very high90.8Very high64 Ų6483.4 Ų83.442%0.41639%0.393SS..THydrogen-bonded Turntrans-62.8-26.9178.7-27.137.1000114.5I8 F29 L37 S48I8-P50 HydrophobicContact CD1-CG 4.07Å; F29-P50 HydrophobicContact CE1-CG 4.44Å; F29-P50 HydrophobicContact CZ-CB 4.42Å; F29-P50 HydrophobicContact CZ-CG 4.23Å; L37-P50 HydrophobicContact CD1-CG 3.53Å; S48-P50 WeakPolarHBondContact O-CD 3.41Å
51V91.8Very high90.9Very high91 Ų9180.7 Ų80.755%0.55238%0.384SS*.THydrogen-bonded Turntrans-89.2-53.2-175.3174.10000111F29 C49F29-V51 HydrophobicContact CE1-CG2 4.29Å; F29-V51 HydrophobicContact CZ-CG2 3.77Å; C49-V51 PolarHBondContact O-N 3.46Å; C49-V51 PolarHBondContact SG-N 3.45Å
52C93.8Very high91Very high61 Ų6184.6 Ų84.641%0.41240%0.396SS..THydrogen-bonded Turntrans-1120.8-172.467.20000114.7C25 H27 H54C25-C52 VanDerWaalsContact CB-SG 3.53Å; H27-C52 PolarHBondContact ND1-SG 2.9Å; H27-C52 VanDerWaalsContact ND1-SG 3.44Å; C52-H54 PolarHBondContact O-N 3.27Å; C52-H54 VanDerWaalsContact SG-CB 3.56Å
53R93.4Very high91.5Very high214 Ų21476 Ų7681%0.80836%0.356SS*.  trans59.18.1-178.5-54.4-177.4179.6-171-0.6115.6C49C49-R53 WeakPolarHBondContact O-CA 3.47Å; C49-R53 PolarHBondContact O-N 2.84Å
54H95.4Very high91.7Very high87 Ų8775.8 Ų75.840%0.40336%0.359SS..PPolyproline II helixtrans-60.8139.1172.3-172.983.4000110.3E24 C25 C49 C52E24-H54 IonicContact OE2-NE2 3.65Å; C25-H54 HydrophobicContact CB-CB 3.7Å; C49-H54 WeakPolarHBondContact CB-O 3.46Å; C49-H54 PolarHBondContact N-O 3.12Å; C52-H54 PolarHBondContact O-N 3.27Å; C52-H54 VanDerWaalsContact SG-CB 3.56Å
55R93.9Very high92Very high126 Ų12675.7 Ų75.748%0.47536%0.355SS..EExtended strand (participates in β ladder)trans-99.6117.2-175.4-71.1-176.8171.3176.52.4110.5I47I47-R55 WeakPolarHBondContact O-CA 3.5Å
56T95.1Very high92.3Very high4 Ų471 Ų713%0.02534%0.338CS..EExtended strand (participates in β ladder)trans-102.2129.8178.2-650000109.8L23 E24 R46 I47 L66L23-T56 HydrophobicContact CD2-CG2 4.01Å; E24-T56 HydrophobicContact CB-CG2 4.24Å; E24-T56 WeakPolarHBondContact CB-OG1 3.38Å; E24-T56 HydrophobicContact CG-CG2 3.91Å; E24-T56 PolarHBondContact N-OG1 2.91Å; R46-T56 CarbonylContact C-O 3.45Å; R46-T56 VanDerWaalsContact CA-O 3.24Å; R46-T56 WeakPolarHBondContact CA-O 3.4Å; I47-T56 PolarHBondContact N-O 2.87Å; I47-T56 PolarHBondContact O-N 3.31Å; T56-L66 HydrophobicContact CG2-CD2 3.92Å
57P93.6Very high92.2Very high53 Ų5369.5 Ų69.534%0.34434%0.343SS..EExtended strand (participates in β ladder)trans-65.4140.1172.229.5-31.5000110.3E24 W45E24-P57 WeakPolarHBondContact OE1-CD 3.3Å; E24-P57 VanDerWaalsContact OE1-CG 3.23Å; E24-P57 WeakPolarHBondContact OE1-CG 3.43Å; E24-P57 WeakPolarHBondContact OE2-CD 2.99Å; W45-P57 WeakPolarHBondContact O-CA 3.14Å
58V93.5Very high92Very high7 Ų773 Ų734%0.04236%0.361CS..  trans-102113.5179.9-177.30000108.8W45 I47 D60 Y61 R62 I63W45-V58 PolarHBondContact O-N 2.81Å; I47-V58 HydrophobicContact CB-CG2 4.06Å; I47-V58 HydrophobicContact CG2-CG2 3.8Å; V58-D60 PolarHBondContact O-N 3.08Å; V58-Y61 PolarHBondContact O-N 2.99Å; V58-R62 WeakPolarHBondContact CG1-O 3.33Å; V58-I63 HydrophobicContact CG1-CD1 3.94Å; V58-I63 HydrophobicContact CG2-CD1 3.87Å
59P89.4Confident91.6Very high56 Ų5672.7 Ų72.736%0.36436%0.357SS..G310 helixtrans-61.5132.6178.7-19.931.7000111.4Y61 R62 N65P59-Y61 PolarHBondContact O-N 3.3Å; P59-R62 PolarHBondContact O-N 3.04Å; P59-N65 HydrophobicContact CB-CB 3.89Å; P59-N65 HydrophobicContact CG-CB 4.39Å; P59-N65 PolarHBondContact O-ND2 3.21Å
60D87.3Confident90.8Very high119 Ų11976.8 Ų76.864%0.63638%0.382SS*.G310 helixtrans49.922.7-175.2-46.5-51.2000114.8V58 R62 N65V58-D60 PolarHBondContact O-N 3.08Å; D60-R62 PolarHBondContact O-N 3.23Å; D60-N65 WeakPolarHBondContact CB-ND2 3.16Å; D60-N65 PolarHBondContact OD2-ND2 3.41Å
61Y88Confident89.6Confident152 Ų15281.6 Ų81.660%0.59640%0.397SS*.G310 helixtrans60.122.3-176.3-35.4-68.3000113.5H38 W45 V58 P59H38-Y61 PolarHBondContact CE1-O 3.04Å; W45-Y61 HydrophobicContact CB-CD1 3.75Å; W45-Y61 HydrophobicContact CB-CE1 3.62Å; V58-Y61 PolarHBondContact O-N 2.99Å; P59-Y61 PolarHBondContact O-N 3.3Å
62R88.2Confident88.5Confident146 Ų14678.1 Ų78.155%0.55138%0.375SS*.  trans-122.2127177.5-58.7-178.4-176.8-170.50.2111.8V58 P59 D60 Q64 N65V58-R62 WeakPolarHBondContact CG1-O 3.33Å; P59-R62 PolarHBondContact O-N 3.04Å; D60-R62 PolarHBondContact O-N 3.23Å; R62-Q64 VanDerWaalsContact C-N 3.26Å; R62-Q64 HydrophobicContact CB-CG 3.93Å; R62-Q64 PolarHBondContact O-N 3.12Å; R62-N65 WeakPolarHBondContact O-CB 3.3Å; R62-N65 PolarHBondContact O-N 3.19Å; R62-N65 VanDerWaalsContact O-N 3.12Å
63I92.1Very high86.8Confident2 Ų277 Ų771%0.0137%0.367CS..G310 helixtrans-61.8-33.1179.1-64.3-56.8000112.6E31 L34 H38 I47 V58 N65 L66E31-I63 HydrophobicContact CG-CG2 4.23Å; L34-I63 HydrophobicContact CB-CD1 4.47Å; L34-I63 HydrophobicContact CB-CG1 4.48Å; L34-I63 HydrophobicContact CB-CG2 3.48Å; L34-I63 VanDerWaalsContact CB-CG2 3.48Å; L34-I63 HydrophobicContact CD1-CG2 4.27Å; H38-I63 HydrophobicContact CB-CD1 3.81Å; H38-I63 HydrophobicContact CB-CG1 3.69Å; I47-I63 HydrophobicContact CD1-CD1 3.9Å; I47-I63 HydrophobicContact CG2-CD1 4.47Å; V58-I63 HydrophobicContact CG1-CD1 3.94Å; V58-I63 HydrophobicContact CG2-CD1 3.87Å; I63-N65 PolarHBondContact O-N 3.12Å; I63-N65 VanDerWaalsContact O-N 3.08Å; I63-L66 HydrophobicContact CD1-CD1 3.92Å; I63-L66 HydrophobicContact CG2-CD1 4.29Å; I63-L66 WeakPolarHBondContact O-CB 3.44Å; I63-L66 PolarHBondContact O-N 3.38Å
64Q90.3Very high85.1Confident99 Ų9973.4 Ų73.446%0.46336%0.359SS..G310 helixtrans-55.4-27.3176.273.7-168.640.800113.1K21 E31 R62 L66K21-Q64 PolarHBondContact NZ-O 3.31Å; E31-Q64 WeakPolarHBondContact OE1-CB 3.26Å; R62-Q64 VanDerWaalsContact C-N 3.26Å; R62-Q64 HydrophobicContact CB-CG 3.93Å; R62-Q64 PolarHBondContact O-N 3.12Å; Q64-L66 VanDerWaalsContact C-N 3.33Å
65N89.6Confident83.1Confident60 Ų6073.9 Ų73.932%0.32137%0.365SS..G310 helixtrans-85-4.4-178.7-63.8-21.3000113.3P59 D60 R62 I63P59-N65 HydrophobicContact CB-CB 3.89Å; P59-N65 HydrophobicContact CG-CB 4.39Å; P59-N65 PolarHBondContact O-ND2 3.21Å; D60-N65 WeakPolarHBondContact CB-ND2 3.16Å; D60-N65 PolarHBondContact OD2-ND2 3.41Å; R62-N65 WeakPolarHBondContact O-CB 3.3Å; R62-N65 PolarHBondContact O-N 3.19Å; R62-N65 VanDerWaalsContact O-N 3.12Å; I63-N65 PolarHBondContact O-N 3.12Å; I63-N65 VanDerWaalsContact O-N 3.08Å
66L91.9Very high81.2Confident8 Ų871.2 Ų71.24%0.04236%0.356CS..SBendtrans-67.1146.8169.8-73.6167.1000109.9K21 L34 T56 I63 Q64K21-L66 HydrophobicContact CB-CB 4.38Å; K21-L66 HydrophobicContact CD-CB 4.08Å; K21-L66 WeakPolarHBondContact CD-O 3.3Å; K21-L66 PolarHBondContact NZ-O 3.21Å; L34-L66 HydrophobicContact CD1-CD1 4.22Å; T56-L66 HydrophobicContact CG2-CD2 3.92Å; I63-L66 HydrophobicContact CD1-CD1 3.92Å; I63-L66 HydrophobicContact CG2-CD1 4.29Å; I63-L66 WeakPolarHBondContact O-CB 3.44Å; I63-L66 PolarHBondContact O-N 3.38Å; Q64-L66 VanDerWaalsContact C-N 3.33Å
67P90.8Very high79.1Confident76 Ų7675.7 Ų75.749%0.49439%0.386SS..PPolyproline II helixtrans-60.8143.317923.8-32.1000111.2K21 I22K21-P67 WeakPolarHBondContact CA-O 3.45Å; I22-P67 HydrophobicContact CG2-CB 3.97Å; I22-P67 HydrophobicContact CG2-CG 3.7Å; I22-P67 WeakPolarHBondContact CG2-O 3.24Å; I22-P67 PolarHBondContact N-O 3.37Å
68N90.3Very high76.8Confident73 Ų7380.3 Ų80.339%0.3941%0.407SS..BIsolated β-bridgetrans-81.1145169.6-71.8-7.8000109.9P20 K21 T70P20-N68 CarbonylContact O-C 3.45Å; P20-N68 WeakPolarHBondContact O-CA 3.39Å; K21-N68 VanDerWaalsContact CD-OD1 3.26Å; K21-N68 WeakPolarHBondContact CD-OD1 3.36Å; K21-N68 VanDerWaalsContact CE-OD1 3.28Å; K21-N68 WeakPolarHBondContact CE-OD1 2.87Å; K21-N68 PolarHBondContact NZ-OD1 2.72Å; N68-T70 PolarHBondContact O-N 3.35Å; N68-T70 VanDerWaalsContact O-N 3.14Å
69N86.3Confident74.7Confident26 Ų2686.8 Ų86.814%0.13943%0.431CS..  trans-78.194.1168.8-169.1-18.8000109.3P20 I22 T28 K71 V72 T73P20-N69 HydrophobicContact CB-CB 4.43Å; P20-N69 PolarHBondContact O-N 3.35Å; I22-N69 HydrophobicContact CB-CB 4.21Å; T28-N69 HydrophobicContact CG2-CB 3.81Å; T28-N69 PolarHBondContact OG1-ND2 2.68Å; N69-K71 PolarHBondContact O-N 3.19Å; N69-K71 WeakPolarHBondContact OD1-CB 3.49Å; N69-K71 PolarHBondContact OD1-N 3.29Å; N69-V72 HydrophobicContact CB-CG2 4.16Å; N69-V72 PolarHBondContact O-N 2.96Å; N69-V72 VanDerWaalsContact O-N 3.12Å; N69-T73 PolarHBondContact O-N 3.32Å; N69-T73 PolarHBondContact O-OG1 2.8Å
70T77.9Confident72.7Confident88 Ų8890 Ų9054%0.5444%0.444SS..Hα-helixtrans-59.6-29.4-179.153.90000112.7N68 V72 T73 E74N68-T70 PolarHBondContact O-N 3.35Å; N68-T70 VanDerWaalsContact O-N 3.14Å; T70-V72 PolarHBondContact O-N 3Å; T70-T73 PolarHBondContact O-N 2.69Å; T70-E74 VanDerWaalsContact O-CG 3.25Å; T70-E74 WeakPolarHBondContact O-CG 3.47Å; T70-E74 PolarHBondContact O-N 3.39Å
71K70Confident70.8Confident166 Ų16692.1 Ų92.172%0.72246%0.456SS*.Hα-helixtrans-59.5-33.7177.5-61.6-173.7175.6-175.80112.9N69N69-K71 PolarHBondContact O-N 3.19Å; N69-K71 WeakPolarHBondContact OD1-CB 3.49Å; N69-K71 PolarHBondContact OD1-N 3.29Å
72V66.8Low68.7Low18 Ų1888.5 Ų88.511%0.10945%0.452CS..Hα-helixtrans-81.9-26179.5-176.50000111Y4 F13 P20 N69 T70Y4-V72 HydrophobicContact CD1-CG1 3.72Å; Y4-V72 HydrophobicContact CE1-CG1 4.33Å; F13-V72 HydrophobicContact CB-CG1 4.43Å; F13-V72 HydrophobicContact CD2-CG1 3.36Å; F13-V72 HydrophobicContact CE2-CG1 3.88Å; F13-V72 HydrophobicContact CG-CG1 4.18Å; P20-V72 HydrophobicContact CB-CB 4.29Å; P20-V72 HydrophobicContact CB-CG1 4.2Å; P20-V72 HydrophobicContact CG-CB 4.2Å; P20-V72 HydrophobicContact CG-CG1 4.24Å; N69-V72 HydrophobicContact CB-CG2 4.16Å; N69-V72 PolarHBondContact O-N 2.96Å; N69-V72 VanDerWaalsContact O-N 3.12Å; T70-V72 PolarHBondContact O-N 3Å
73T59.8Low66.3Low37 Ų3787.5 Ų87.523%0.22746%0.458CS..Hα-helixtrans-84.2-33.6-178.6-52.50000113L15 N69 T70 F76L15-T73 HydrophobicContact CD2-CG2 3.59Å; N69-T73 PolarHBondContact O-N 3.32Å; N69-T73 PolarHBondContact O-OG1 2.8Å; T70-T73 PolarHBondContact O-N 2.69Å; T73-F76 VanDerWaalsContact O-CB 3.3Å; T73-F76 WeakPolarHBondContact O-CB 3.45Å; T73-F76 PolarHBondContact O-N 2.88Å
74E56.9Low64Low138 Ų13893.2 Ų93.265%0.64550%0.496SS*.Hα-helixtrans-77-21.5-176.8-64.2-63.3145.900113.6T70 F76 P77T70-E74 VanDerWaalsContact O-CG 3.25Å; T70-E74 WeakPolarHBondContact O-CG 3.47Å; T70-E74 PolarHBondContact O-N 3.39Å; E74-F76 VanDerWaalsContact C-N 3.34Å; E74-P77 WeakPolarHBondContact O-CD 3.31Å
75D53.8Low61.7Low98 Ų9895 Ų9552%0.52451%0.508SS..THydrogen-bonded Turntrans-90.10.9176.6-72.3-34.2000113.4Y4Y4-D75 HydrophobicContact CE1-CB 3.83Å; Y4-D75 WeakPolarHBondContact OH-CB 3.02Å; Y4-D75 PolarHBondContact OH-OD2 2.97Å
76F54.2Low59.4Low69 Ų6998.4 Ų98.430%0.30353%0.533SS..THydrogen-bonded Turntrans-66.4-19.6176.4-144.4-103.7000116.2F13 T73 E74 L78 I80F13-F76 VanDerWaalsContact O-CE2 3.23Å; F13-F76 WeakPolarHBondContact O-CE2 3.33Å; F13-F76 WeakPolarHBondContact O-CZ 3.29Å; T73-F76 VanDerWaalsContact O-CB 3.3Å; T73-F76 WeakPolarHBondContact O-CB 3.45Å; T73-F76 PolarHBondContact O-N 2.88Å; E74-F76 VanDerWaalsContact C-N 3.34Å; F76-L78 PolarHBondContact O-N 3.07Å; F76-I80 HydrophobicContact CD1-CD1 3.99Å; F76-I80 HydrophobicContact CE1-CD1 3.31Å; F76-I80 HydrophobicContact CE2-CD1 4.18Å; F76-I80 HydrophobicContact CZ-CD1 3.43Å; F76-I80 VanDerWaalsContact CZ-CD1 3.43Å
77P49.4Very low57.2Low99 Ų99105.1 Ų105.164%0.64356%0.564SS**THydrogen-bonded Turntrans-76.40.6-175.2-18.431.6000118.6E74E74-P77 WeakPolarHBondContact O-CD 3.31Å
78L46.4Very low55Low149 Ų149109.9 Ų109.978%0.7859%0.585SS**SBendtrans-132.4-2-172.6-68.5-179.4000117.8F76F76-L78 PolarHBondContact O-N 3.07Å
79Y48.6Very low53Low143 Ų143110.3 Ų110.356%0.56160%0.599SS**SBendtrans-112.6-5.9-174.7-115.5-82.7000116.2Y1Y1-Y79 HydrophobicContact CE1-CD1 4.23Å; Y1-Y79 AromaticContact CE1-CE1 3.61Å; Y1-Y79 HydrophobicContact CE1-CE1 3.61Å; Y1-Y79 PolarHBondContact OH-OH 3.39Å
80I48.9Very low51Low124 Ų124116.8 Ų116.864%0.63663%0.633SS**SBendtrans-85.4-15-179.2-61.2-174.1000112.5F76F76-I80 HydrophobicContact CD1-CD1 3.99Å; F76-I80 HydrophobicContact CE1-CD1 3.31Å; F76-I80 HydrophobicContact CE2-CD1 4.18Å; F76-I80 HydrophobicContact CZ-CD1 3.43Å; F76-I80 VanDerWaalsContact CZ-CD1 3.43Å
81D47.1Very low49.3Very low163 Ų163117.8 Ų117.887%0.87264%0.641SS**SBendtrans-84.7-10.3-178.4-152.8-106.4000114
82S44Very low48.2Very low76 Ų76115.4 Ų115.453%0.53164%0.642SS.*SBendtrans-107.2-9-165.6-47.90000117.5
83D37.4Very low47.1Very low126 Ų126124.3 Ų124.367%0.67468%0.675SS**  trans-137.9105179.7-83.2-47.3000112.6L85D83-L85 PolarHBondContact O-N 3.05Å
84P43.9Very low46.4Very low122 Ų122127.6 Ų127.679%0.79270%0.697SS**  trans-65.3119.8163.8-6.521.8000108.5
85L42.2Very low46Very low137 Ų137125.9 Ų125.972%0.71770%0.698SS**  trans-48.9141.4173.4-66.4175.5000111.8D83 Q87D83-L85 PolarHBondContact O-N 3.05Å; L85-Q87 VanDerWaalsContact C-N 3.31Å; L85-Q87 PolarHBondContact O-N 2.98Å
86P40Very low45.7Very low131 Ų131127.5 Ų127.585%0.85171%0.714SS**  trans-7391.4151.1-7.524.7000108.2
87Q46.3Very low45.5Very low149 Ų149130.1 Ų130.170%0.69673%0.73SS**  trans-78.3144.4147.8-82.3168.111.700107.4L85 A89L85-Q87 VanDerWaalsContact C-N 3.31Å; L85-Q87 PolarHBondContact O-N 2.98Å; Q87-A89 PolarHBondContact O-N 3.5Å
88D45.3Very low45.5Very low176 Ų176132.5 Ų132.594%0.94173%0.733SS**SBendtrans-59.940-179-59.8-67.8000115.6
89A48.2Very low45.7Very low82 Ų82130.6 Ų130.668%0.67873%0.729SS**  trans-89.6118.5170.900000109.2Q87Q87-A89 PolarHBondContact O-N 3.5Å
90L44.9Very low45.7Very low162 Ų162127.3 Ų127.385%0.84873%0.732SS**  trans-45.1136.4168.2-66.3167.6000110.6P92L90-P92 WeakPolarHBondContact O-CD 3.47Å
91P42.4Very low45.7Very low108 Ų108126.5 Ų126.570%0.70173%0.728SS**  trans-63.7128.3-172.821.7-30.8000111.6Y93P91-Y93 VanDerWaalsContact C-N 3.28Å; P91-Y93 PolarHBondContact O-N 3.33Å
92P44.9Very low45.9Very low116 Ų116124.6 Ų124.675%0.75372%0.722SS**  trans-87.369169.335.2-30.3000108.8L90L90-P92 WeakPolarHBondContact O-CD 3.47Å
93Y44Very low46.2Very low206 Ų206125 Ų12581%0.80873%0.73SS**  trans-128113.3167.4-88.5-84000109.9P91P91-Y93 VanDerWaalsContact C-N 3.28Å; P91-Y93 PolarHBondContact O-N 3.33Å
94P46.2Very low46.8Very low105 Ų105126.5 Ų126.568%0.68274%0.737SS**PPolyproline II helixtrans-68.6143.3162.929.2-29.4000108.6
95P48.3Very low46.7Very low102 Ų102131.6 Ų131.666%0.66274%0.74SS**PPolyproline II helixtrans-62.7154.5175.827.4-32.7000110.2L97P95-L97 PolarHBondContact O-N 2.69Å; P95-L97 VanDerWaalsContact O-N 3.11Å
96P47Very low46.9Very low132 Ų132136.4 Ų136.486%0.85775%0.749SS**PPolyproline II helixtrans-55.7121.4-18020.3-30.4000110.2H98P96-H98 PolarHBondContact O-N 3.17Å
97L49.8Very low47.3Very low124 Ų124138.5 Ų138.565%0.64975%0.748SS**PPolyproline II helixtrans-66.2133.2179.8-67.7171.5000109.7P95 L101P95-L97 PolarHBondContact O-N 2.69Å; P95-L97 VanDerWaalsContact O-N 3.11Å; L97-L101 HydrophobicContact CB-CB 4.35Å; L97-L101 HydrophobicContact CB-CD1 4.14Å; L97-L101 HydrophobicContact CD1-CB 4.4Å; L97-L101 HydrophobicContact CD1-CD1 3.92Å; L97-L101 HydrophobicContact CD2-CD1 3.93Å; L97-L101 HydrophobicContact CG-CD1 4.21Å
98H50.8Low47Very low150 Ų150140.4 Ų140.469%0.69476%0.756SS**PPolyproline II helixtrans-46.3144.6173.6-165.3-96.1000110.9P96 A100 L101P96-H98 PolarHBondContact O-N 3.17Å; H98-A100 PolarHBondContact O-N 3.33Å; H98-L101 PolarHBondContact O-N 2.81Å
99P49.9Very low46.5Very low108 Ų108136.7 Ų136.770%0.70175%0.751SS**G310 helixtrans-53.1-9.4-170.1-28.433.8000117.5L101P99-L101 VanDerWaalsContact C-N 3.34Å; P99-L101 PolarHBondContact O-N 3.37Å
100A48.6Very low45.8Very low75 Ų75138.6 Ų138.662%0.6276%0.759SS**G310 helixtrans-71.7-18.9178.700000114.5H98H98-A100 PolarHBondContact O-N 3.33Å
101L48.7Very low45Very low107 Ų107134.8 Ų134.856%0.5676%0.759SS**G310 helixtrans-99.7-2.2-172.6-72.8172.3000115.7L97 H98 P99 A103L97-L101 HydrophobicContact CB-CB 4.35Å; L97-L101 HydrophobicContact CB-CD1 4.14Å; L97-L101 HydrophobicContact CD1-CB 4.4Å; L97-L101 HydrophobicContact CD1-CD1 3.92Å; L97-L101 HydrophobicContact CD2-CD1 3.93Å; L97-L101 HydrophobicContact CG-CD1 4.21Å; H98-L101 PolarHBondContact O-N 2.81Å; P99-L101 VanDerWaalsContact C-N 3.34Å; P99-L101 PolarHBondContact O-N 3.37Å; L101-A103 VanDerWaalsContact C-N 3.34Å
102V52.1Low44.6Very low122 Ų122134.7 Ų134.774%0.73977%0.767SS**G310 helixtrans-78.9-17.8177.9176.10000112.3L104V102-L104 VanDerWaalsContact C-N 3.34Å; V102-L104 PolarHBondContact O-N 3.04Å
103A48.5Very low43.9Very low85 Ų85135.1 Ų135.170%0.70277%0.772SS**G310 helixtrans-78.5-4.8-172.800000115.8L101L101-A103 VanDerWaalsContact C-N 3.34Å
104L50.7Low43.3Very low158 Ų158129.2 Ų129.283%0.82777%0.774SS**G310 helixtrans-116.910.1-169.3-71.1177.4000116.6V102V102-L104 VanDerWaalsContact C-N 3.34Å; V102-L104 PolarHBondContact O-N 3.04Å
105R41.4Very low42.5Very low228 Ų228128.8 Ų128.886%0.8678%0.78SS**  trans-126.926.5176.6-155.3-176.4-78146.1-4.2114.2E107R105-E107 PolarHBondContact O-N 2.96Å
106R47.3Very low41.6Very low238 Ų238130 Ų13090%0.89879%0.79SS**  trans-81.74.9-179.8-140.9-168-167.5123.82.4114.8
107E48.8Very low40.6Very low176 Ų176132.7 Ų132.782%0.82279%0.792SS**SBendtrans-127.999.6170.8-60.4-166.4111.500104.2R105R105-E107 PolarHBondContact O-N 2.96Å
108E39.5Very low39.5Very low188 Ų188131.6 Ų131.688%0.87980%0.8SS**  -168.188.186-149.6135.911300107.9
109A35.3Very low38.3Very low99 Ų99130.8 Ų130.882%0.81881%0.806SS**  trans-109.2110.9169.100000107.7
110S31.8Very low38Very low122 Ų122130.9 Ų130.985%0.85381%0.807SS**  trans-178.1119.9152.7440000113.9
111G29.8Very low37Very low82 Ų82133.4 Ų133.485%0.84582%0.82SS**  trans105.9132150.100000115.2
112A33.6Very low36.1Very low105 Ų105134.6 Ų134.687%0.86883%0.832SS**  cis-164.5151.4-4.100000107.9
113S30.7Very low35.1Very low125 Ų125135.4 Ų135.487%0.87484%0.837SS**  trans-76.1160.3178.245.40000114.7
114G30.1Very low34.4Very low82 Ų82136.9 Ų136.985%0.84584%0.837SS**  trans173.3120158.500000115.5
115A28.8Very low33.5Very low97 Ų97134.9 Ų134.980%0.80284%0.837SS**  trans-94.2166.6-177.100000113.8
116S29.6Very low33.2Very low126 Ų126130.4 Ų130.488%0.88184%0.835SS**  164.8154.5121.3-71.30000115.7
117Q26.6Very low32.6Very low190 Ų190123 Ų12389%0.88882%0.824SS**  trans-69.7161.9-174.2-68.8154.9-29.300116.8
118A26.8Very low32.2Very low100 Ų100121.2 Ų121.283%0.82683%0.826SS**  151.3132.9112.400000115.1
119T26.6Very low31.9Very low134 Ų134118 Ų11882%0.82282%0.819SS**  trans-79.5-171.716448.60000111.8
120P42.5Very low32.1Very low110 Ų110120.7 Ų120.771%0.71482%0.819SS**  cis-131.8176.7-20.726.4-4.2000112.8
121S27.9Very low32.1Very low127 Ų127119.1 Ų119.189%0.88881%0.808SS**  trans-170.9128.5147.1-79.90000113.6
122T30.8Very low32.5Very low132 Ų132123.1 Ų123.181%0.8180%0.804SS**  trans-73.7137.6174-55.10000112.5
123T29.5Very low32.4Very low140 Ų140124.9 Ų124.986%0.85980%0.799SS**  trans-160.8132.4139-46.50000110.9
124V35Very low32.5Very low115 Ų115123 Ų12370%0.69779%0.786SS**  trans-68.1135.9176.2171.50000111.3
125S31.2Very low33.2Very low117 Ų117125.1 Ų125.182%0.81878%0.782SS**  trans-150100.9153.5-79.20000109.9A127S125-A127 PolarHBondContact O-N 2.82Å
126T35.8Very low34Very low134 Ų134129.8 Ų129.882%0.82278%0.779SS**  trans-56.8112.3160.420.50000110.1
127A33.7Very low34.5Very low81 Ų81134.5 Ų134.567%0.66978%0.779SS**  trans-136.6108.115800000107.7S125 T129S125-A127 PolarHBondContact O-N 2.82Å; A127-T129 PolarHBondContact O-N 2.78Å
128T40.3Very low35Very low140 Ų140131.9 Ų131.986%0.85977%0.771SS**  trans-64.996.3172.9-40.10000108.6
129T33.7Very low36.6Very low121 Ų121129.9 Ų129.974%0.74275%0.751SS**  trans-112112.6160.2520000107.1A127 S131A127-T129 PolarHBondContact O-N 2.78Å; T129-S131 VanDerWaalsContact C-N 3.32Å; T129-S131 PolarHBondContact O-N 3.34Å
130L39.9Very low38.1Very low154 Ų154126.9 Ų126.981%0.80674%0.735SS**  trans-57.496.3176-150.8105.6000107.5Q132L130-Q132 PolarHBondContact O-N 2.96Å
131S32Very low38.5Very low89 Ų89124.5 Ų124.562%0.62271%0.714SS**  trans-70.283.3-179.147.70000109.2T129 D133 S134T129-S131 VanDerWaalsContact C-N 3.32Å; T129-S131 PolarHBondContact O-N 3.34Å; S131-D133 PolarHBondContact O-N 3.39Å; S131-S134 PolarHBondContact O-OG 3.03Å
132Q38.1Very low39.6Very low167 Ų167121.4 Ų121.478%0.7869%0.693SS**THydrogen-bonded Turntrans-73.736170-154.3167.1-4.600111.3L130L130-Q132 PolarHBondContact O-N 2.96Å
133D31.9Very low41Very low142 Ų142117.9 Ų117.976%0.75967%0.673SS**THydrogen-bonded Turntrans-120.2-8.5178.3-112.7-19.3000112.2S131 V135S131-D133 PolarHBondContact O-N 3.39Å; D133-V135 PolarHBondContact O-N 2.84Å
134S32.6Very low42.4Very low84 Ų84116.3 Ų116.359%0.58765%0.654SS**THydrogen-bonded Turntrans-77.60.5174.1550000114S131S131-S134 PolarHBondContact O-OG 3.03Å
135V44.8Very low43.6Very low127 Ų127117.3 Ų117.377%0.7765%0.645SS**THydrogen-bonded Turntrans-95.6-8.2-178.4-174.90000113D133D133-V135 PolarHBondContact O-N 2.84Å
136R45.3Very low45.2Very low196 Ų196115.3 Ų115.374%0.7463%0.628SS**SBendtrans-108.8-9.2-171.6-156.5172.2172.689.11.2116.7D213R136-D213 IonicContact NH2-OD2 3.35Å
137Y39.6Very low46.6Very low224 Ų224110.6 Ų110.688%0.87860%0.603SS**SBendtrans-123.618.8178.5-153.6-98.6000114.9S139Y137-S139 PolarHBondContact O-N 2.71Å
138D37.6Very low48.3Very low135 Ų135112.6 Ų112.672%0.72260%0.602SS**SBendtrans-9225.9176.2-128.6-48.5000113.4
139S59.2Low49.7Very low59 Ų59109.2 Ų109.241%0.41358%0.581SS.*  trans-133.875.1-161.6-171.60000112.3Y137 C143Y137-S139 PolarHBondContact O-N 2.71Å; S139-C143 VanDerWaalsContact OG-CB 3.23Å; S139-C143 WeakPolarHBondContact OG-CB 3.19Å; S139-C143 PolarHBondContact OG-SG 3.25Å
140C59.7Low51.8Low71 Ų71106.9 Ų106.948%0.4857%0.567SS.*SBendtrans-156.428.6165.2-135.40000118.9
141Q49.7Very low53.7Low60 Ų60100.3 Ų100.328%0.2854%0.536SS..SBendtrans-121.9-44.3150.9-88.3177-50.400111.2R17 E32 K144 R145R17-Q141 VanDerWaalsContact CD-OE1 3.32Å; E32-Q141 PolarHBondContact OE1-NE2 3.16Å; E32-Q141 PolarHBondContact OE2-NE2 2.97Å; Q141-K144 PolarHBondContact O-N 3.47Å; Q141-R145 WeakPolarHBondContact O-CB 3.43Å; Q141-R145 PolarHBondContact O-N 3.11Å
142S51.3Low55.8Low62 Ų6298.9 Ų98.943%0.43453%0.525SS..Hα-helixtrans-60.7-44.6171.946.20000111.3R145 V146S142-R145 PolarHBondContact O-N 3.32Å; S142-V146 VanDerWaalsContact O-CB 3.31Å; S142-V146 WeakPolarHBondContact O-CB 3.26Å; S142-V146 WeakPolarHBondContact O-CG2 3.21Å; S142-V146 PolarHBondContact O-N 3.41Å
143C59.2Low57.9Low58 Ų5895.3 Ų95.339%0.39252%0.515SS..Hα-helixtrans-69.7-32.1175.9-89.30000114.3S139 A147S139-C143 VanDerWaalsContact OG-CB 3.23Å; S139-C143 WeakPolarHBondContact OG-CB 3.19Å; S139-C143 PolarHBondContact OG-SG 3.25Å; C143-A147 WeakPolarHBondContact O-CB 3.44Å; C143-A147 PolarHBondContact O-N 2.89Å
144K58.8Low60Low107 Ų10790.6 Ų90.647%0.46549%0.493SS..Hα-helixtrans-68.5-42.4173.4-135.8167.4-175.9164.10110.7Q141 A147 L148Q141-K144 PolarHBondContact O-N 3.47Å; K144-A147 PolarHBondContact O-N 3.47Å; K144-L148 VanDerWaalsContact O-CB 3.31Å; K144-L148 WeakPolarHBondContact O-CB 3.49Å; K144-L148 WeakPolarHBondContact O-CD1 3.31Å; K144-L148 VanDerWaalsContact O-CG 3.25Å; K144-L148 WeakPolarHBondContact O-CG 3.17Å; K144-L148 PolarHBondContact O-N 3.5Å
145R61.5Low62.2Low135 Ų13591.3 Ų91.351%0.50949%0.493SS..Hα-helixtrans-67.2-44.4176.5-163.3-175.6-61.4-107.68.2111.5E32 Q141 S142 L148 T149E32-R145 IonicContact OE1-NH2 3.29Å; E32-R145 PolarHBondContact OE1-NH2 2.86Å; Q141-R145 WeakPolarHBondContact O-CB 3.43Å; Q141-R145 PolarHBondContact O-N 3.11Å; S142-R145 PolarHBondContact O-N 3.32Å; R145-L148 PolarHBondContact O-N 3.47Å; R145-T149 WeakPolarHBondContact O-CB 3.25Å; R145-T149 WeakPolarHBondContact O-CG2 3.31Å; R145-T149 PolarHBondContact O-N 3.49Å; R145-T149 PolarHBondContact O-OG1 3.44Å; R145-T149 VanDerWaalsContact O-OG1 3.04Å
146V63.7Low63.9Low75 Ų7589.8 Ų89.846%0.45548%0.479SS..Hα-helixtrans-66.2-40.5176.1172.50000111S142 T149 T150S142-V146 VanDerWaalsContact O-CB 3.31Å; S142-V146 WeakPolarHBondContact O-CB 3.26Å; S142-V146 WeakPolarHBondContact O-CG2 3.21Å; S142-V146 PolarHBondContact O-N 3.41Å; V146-T149 VanDerWaalsContact CA-OG1 3.26Å; V146-T149 WeakPolarHBondContact CA-OG1 3.24Å; V146-T149 PolarHBondContact O-N 2.92Å; V146-T149 PolarHBondContact O-OG1 2.99Å; V146-T150 WeakPolarHBondContact O-CB 3.34Å; V146-T150 PolarHBondContact O-N 3.11Å; V146-T150 PolarHBondContact O-OG1 3.38Å
147A65.1Low65.6Low36 Ų3687.6 Ų87.630%0.29848%0.476SS..Hα-helixtrans-65.4-42.5174.700000112.2C143 K144 G151C143-A147 WeakPolarHBondContact O-CB 3.44Å; C143-A147 PolarHBondContact O-N 2.89Å; K144-A147 PolarHBondContact O-N 3.47Å; A147-G151 PolarHBondContact O-N 3.18Å
148L69.4Low67.6Low123 Ų12378.7 Ų78.764%0.64445%0.446SS*.Hα-helixtrans-64.2-40.3174-78163.5000111.7K144 R145 C152K144-L148 VanDerWaalsContact O-CB 3.31Å; K144-L148 WeakPolarHBondContact O-CB 3.49Å; K144-L148 WeakPolarHBondContact O-CD1 3.31Å; K144-L148 VanDerWaalsContact O-CG 3.25Å; K144-L148 WeakPolarHBondContact O-CG 3.17Å; K144-L148 PolarHBondContact O-N 3.5Å; R145-L148 PolarHBondContact O-N 3.47Å; L148-C152 WeakPolarHBondContact O-CB 3.4Å; L148-C152 PolarHBondContact O-N 2.97Å; L148-C152 PolarHBondContact O-SG 2.89Å; L148-C152 VanDerWaalsContact O-SG 3.41Å
149T71.3Confident69.5Low68 Ų6877.7 Ų77.742%0.41744%0.435SS..Hα-helixtrans-71.6-40.4178.855.10000112.4R145 V146 C152 V153R145-T149 WeakPolarHBondContact O-CB 3.25Å; R145-T149 WeakPolarHBondContact O-CG2 3.31Å; R145-T149 PolarHBondContact O-N 3.49Å; R145-T149 PolarHBondContact O-OG1 3.44Å; R145-T149 VanDerWaalsContact O-OG1 3.04Å; V146-T149 VanDerWaalsContact CA-OG1 3.26Å; V146-T149 WeakPolarHBondContact CA-OG1 3.24Å; V146-T149 PolarHBondContact O-N 2.92Å; V146-T149 PolarHBondContact O-OG1 2.99Å; T149-C152 WeakPolarHBondContact CA-SG 3.33Å; T149-C152 PolarHBondContact O-N 2.88Å; T149-C152 PolarHBondContact O-SG 2.97Å; T149-V153 WeakPolarHBondContact O-CB 3.32Å; T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 2.88Å
150T77.6Confident70.6Confident73 Ų7379.4 Ų79.445%0.44844%0.439SS..Hα-helixtrans-67.5-42.7175.4-58.40000110.2V146 V153 C154V146-T150 WeakPolarHBondContact O-CB 3.34Å; V146-T150 PolarHBondContact O-N 3.11Å; V146-T150 PolarHBondContact O-OG1 3.38Å; T150-V153 PolarHBondContact O-N 2.88Å; T150-C154 WeakPolarHBondContact O-CB 3.14Å; T150-C154 PolarHBondContact O-N 3.32Å; T150-C154 PolarHBondContact O-SG 3.47Å
151G78.5Confident71.7Confident16 Ų1678.7 Ų78.717%0.16544%0.435CS..Hα-helixtrans-59.4-46.1174.600000112.4A147 C154 V155A147-G151 PolarHBondContact O-N 3.18Å; G151-C154 PolarHBondContact O-N 2.83Å; G151-V155 VanDerWaalsContact O-CG2 3.29Å; G151-V155 WeakPolarHBondContact O-CG2 3.37Å; G151-V155 PolarHBondContact O-N 3.46Å
152C76.5Confident73.2Confident59 Ų5979.7 Ų79.740%0.39944%0.441SS..Hα-helixtrans-68.3-39.7-18075.90000112.4L148 T149 C154 V155 I156L148-C152 WeakPolarHBondContact O-CB 3.4Å; L148-C152 PolarHBondContact O-N 2.97Å; L148-C152 PolarHBondContact O-SG 2.89Å; L148-C152 VanDerWaalsContact O-SG 3.41Å; T149-C152 WeakPolarHBondContact CA-SG 3.33Å; T149-C152 PolarHBondContact O-N 2.88Å; T149-C152 PolarHBondContact O-SG 2.97Å; C152-C154 VanDerWaalsContact C-N 3.34Å; C152-C154 PolarHBondContact O-N 2.84Å; C152-V155 PolarHBondContact O-N 3.39Å; C152-I156 WeakPolarHBondContact O-CB 3.11Å; C152-I156 WeakPolarHBondContact O-CD1 3.38Å; C152-I156 WeakPolarHBondContact O-CG1 3.23Å; C152-I156 PolarHBondContact O-N 2.92Å
153V81.8Confident74.7Confident92 Ų9280.1 Ų80.156%0.55844%0.438SS*.Hα-helixtrans-63.5-40.6175.4172.20000111T149 T150 F157T149-V153 WeakPolarHBondContact O-CB 3.32Å; T149-V153 WeakPolarHBondContact O-CG2 3.41Å; T149-V153 PolarHBondContact O-N 2.88Å; T150-V153 PolarHBondContact O-N 2.88Å; V153-F157 VanDerWaalsContact O-CB 3.32Å; V153-F157 WeakPolarHBondContact O-CB 3.18Å; V153-F157 PolarHBondContact O-N 3.3Å
154C76.4Confident76Confident43 Ų4381.4 Ų81.429%0.29144%0.444SS..Hα-helixtrans-63.3-47.1174.6-69.20000111.9T150 G151 C152 I156 F157 S158 T202T150-C154 WeakPolarHBondContact O-CB 3.14Å; T150-C154 PolarHBondContact O-N 3.32Å; T150-C154 PolarHBondContact O-SG 3.47Å; G151-C154 PolarHBondContact O-N 2.83Å; C152-C154 VanDerWaalsContact C-N 3.34Å; C152-C154 PolarHBondContact O-N 2.84Å; C154-I156 PolarHBondContact O-N 3.41Å; C154-F157 PolarHBondContact O-N 3.48Å; C154-S158 WeakPolarHBondContact O-CB 3.43Å; C154-S158 PolarHBondContact O-N 3.35Å; C154-S158 PolarHBondContact O-OG 3.38Å; C154-S158 VanDerWaalsContact O-OG 3.1Å; C154-T202 HydrophobicContact CB-CG2 3.88Å
155V78.8Confident76.9Confident99 Ų9980.2 Ų80.260%0.644%0.442SS*.Hα-helixtrans-61.4-43.9178.1171.60000111.3G151 C152 S158 F159G151-V155 VanDerWaalsContact O-CG2 3.29Å; G151-V155 WeakPolarHBondContact O-CG2 3.37Å; G151-V155 PolarHBondContact O-N 3.46Å; C152-V155 PolarHBondContact O-N 3.39Å; V155-S158 PolarHBondContact O-N 2.91Å; V155-F159 VanDerWaalsContact O-CB 3.3Å; V155-F159 WeakPolarHBondContact O-CB 3.29Å; V155-F159 PolarHBondContact O-N 3.22Å
156I81.8Confident77.8Confident94 Ų9477.6 Ų77.648%0.48244%0.438SS..Hα-helixtrans-61.7-48.1176.9-67.5162.1000110C152 C154 S158 F159 L160C152-I156 WeakPolarHBondContact O-CB 3.11Å; C152-I156 WeakPolarHBondContact O-CD1 3.38Å; C152-I156 WeakPolarHBondContact O-CG1 3.23Å; C152-I156 PolarHBondContact O-N 2.92Å; C154-I156 PolarHBondContact O-N 3.41Å; I156-S158 PolarHBondContact O-N 2.91Å; I156-F159 PolarHBondContact O-N 2.87Å; I156-L160 HydrophobicContact CG2-CD1 3.83Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.47Å; I156-L160 VanDerWaalsContact O-CG 3.24Å; I156-L160 WeakPolarHBondContact O-CG 3.21Å; I156-L160 PolarHBondContact O-N 2.91Å
157F79.1Confident78.6Confident151 Ų15180.2 Ų80.266%0.66244%0.444SS*.Hα-helixtrans-64.7-41.1-179.7-171.3-98.8000112.4V153 C154 L160 S161V153-F157 VanDerWaalsContact O-CB 3.32Å; V153-F157 WeakPolarHBondContact O-CB 3.18Å; V153-F157 PolarHBondContact O-N 3.3Å; C154-F157 PolarHBondContact O-N 3.48Å; F157-L160 PolarHBondContact O-N 3.48Å; F157-S161 WeakPolarHBondContact O-CB 3.3Å; F157-S161 PolarHBondContact O-N 2.9Å
158S81.8Confident79.4Confident36 Ų3684.3 Ų84.325%0.25246%0.458SS..Hα-helixtrans-62.4-41.6174-66.50000112.1C154 V155 I156 S161 M162C154-S158 WeakPolarHBondContact O-CB 3.43Å; C154-S158 PolarHBondContact O-N 3.35Å; C154-S158 PolarHBondContact O-OG 3.38Å; C154-S158 VanDerWaalsContact O-OG 3.1Å; V155-S158 PolarHBondContact O-N 2.91Å; I156-S158 PolarHBondContact O-N 2.91Å; S158-S161 PolarHBondContact O-N 3.48Å; S158-M162 WeakPolarHBondContact O-CB 3.41Å; S158-M162 PolarHBondContact O-N 2.87Å
159F78.8Confident79.9Confident114 Ų11479.2 Ų79.250%0.544%0.435SS..Hα-helixtrans-66.5-44.6176.9-177.6-106.3000112V155 I156 S161 M162 L163V155-F159 VanDerWaalsContact O-CB 3.3Å; V155-F159 WeakPolarHBondContact O-CB 3.29Å; V155-F159 PolarHBondContact O-N 3.22Å; I156-F159 PolarHBondContact O-N 2.87Å; F159-S161 VanDerWaalsContact C-N 3.35Å; F159-S161 PolarHBondContact O-N 3.44Å; F159-M162 HydrophobicContact CD2-CE 4.03Å; F159-M162 HydrophobicContact CE2-CE 3.95Å; F159-M162 PolarHBondContact O-N 3.36Å; F159-L163 HydrophobicContact CD1-CD1 3.79Å; F159-L163 HydrophobicContact CD1-CG 4.29Å; F159-L163 HydrophobicContact CE1-CD1 3.27Å; F159-L163 HydrophobicContact CE1-CG 3.97Å; F159-L163 HydrophobicContact CE2-CD1 4.47Å; F159-L163 HydrophobicContact CE2-CD2 4.44Å; F159-L163 HydrophobicContact CE2-CG 4.37Å; F159-L163 HydrophobicContact CZ-CD1 3.66Å; F159-L163 HydrophobicContact CZ-CD2 4.14Å; F159-L163 HydrophobicContact CZ-CG 4.01Å; F159-L163 WeakPolarHBondContact O-CG 3.44Å; F159-L163 PolarHBondContact O-N 3.28Å
160L81Confident80.2Confident95 Ų9580.9 Ų80.950%0.49744%0.441SS..Hα-helixtrans-62.1-42.3175.8-69.2175.2000111.6I156 F157 L163 V164I156-L160 HydrophobicContact CG2-CD1 3.83Å; I156-L160 HydrophobicContact CG2-CG 4.26Å; I156-L160 WeakPolarHBondContact O-CB 3.47Å; I156-L160 VanDerWaalsContact O-CG 3.24Å; I156-L160 WeakPolarHBondContact O-CG 3.21Å; I156-L160 PolarHBondContact O-N 2.91Å; F157-L160 PolarHBondContact O-N 3.48Å; L160-L163 PolarHBondContact O-N 3.28Å; L160-V164 WeakPolarHBondContact O-CB 3.34Å; L160-V164 WeakPolarHBondContact O-CG2 3.1Å; L160-V164 PolarHBondContact O-N 2.86Å
161S82.8Confident80.4Confident57 Ų5781 Ų8140%0.39944%0.438SS..Hα-helixtrans-61.4-44.7175.2-174.20000111.8F157 S158 F159 V164 L165F157-S161 WeakPolarHBondContact O-CB 3.3Å; F157-S161 PolarHBondContact O-N 2.9Å; S158-S161 PolarHBondContact O-N 3.48Å; F159-S161 VanDerWaalsContact C-N 3.35Å; F159-S161 PolarHBondContact O-N 3.44Å; S161-V164 PolarHBondContact O-N 3.3Å; S161-L165 WeakPolarHBondContact O-CB 3.15Å; S161-L165 WeakPolarHBondContact O-CG 3.2Å; S161-L165 PolarHBondContact O-N 2.95Å
162M82.8Confident80.1Confident81 Ų8184.4 Ų84.440%0.39945%0.448SS..Hα-helixtrans-60.3-47175.1-174.6-158.675.400111.9S158 F159 V164 L165 L166S158-M162 WeakPolarHBondContact O-CB 3.41Å; S158-M162 PolarHBondContact O-N 2.87Å; F159-M162 HydrophobicContact CD2-CE 4.03Å; F159-M162 HydrophobicContact CE2-CE 3.95Å; F159-M162 PolarHBondContact O-N 3.36Å; M162-V164 VanDerWaalsContact C-N 3.34Å; M162-V164 PolarHBondContact O-N 3.1Å; M162-L165 PolarHBondContact O-N 3.37Å; M162-L166 VanDerWaalsContact O-CB 3.24Å; M162-L166 WeakPolarHBondContact O-CB 3Å; M162-L166 PolarHBondContact O-N 3.12Å
163L83.3Confident79.9Confident71 Ų7185.5 Ų85.537%0.37245%0.453SS..Hα-helixtrans-62.8-40.6178.4-72.5-176.9000112.2F159 L160 F167F159-L163 HydrophobicContact CD1-CD1 3.79Å; F159-L163 HydrophobicContact CD1-CG 4.29Å; F159-L163 HydrophobicContact CE1-CD1 3.27Å; F159-L163 HydrophobicContact CE1-CG 3.97Å; F159-L163 HydrophobicContact CE2-CD1 4.47Å; F159-L163 HydrophobicContact CE2-CD2 4.44Å; F159-L163 HydrophobicContact CE2-CG 4.37Å; F159-L163 HydrophobicContact CZ-CD1 3.66Å; F159-L163 HydrophobicContact CZ-CD2 4.14Å; F159-L163 HydrophobicContact CZ-CG 4.01Å; F159-L163 WeakPolarHBondContact O-CG 3.44Å; F159-L163 PolarHBondContact O-N 3.28Å; L160-L163 PolarHBondContact O-N 3.28Å; L163-F167 WeakPolarHBondContact O-CB 3.34Å; L163-F167 PolarHBondContact O-N 3.49Å
164V85.8Confident79.4Confident85 Ų8588.6 Ų88.652%0.51546%0.461SS..Hα-helixtrans-65.8-44.9177.4169.80000111L160 S161 M162 F167 M168L160-V164 WeakPolarHBondContact O-CB 3.34Å; L160-V164 WeakPolarHBondContact O-CG2 3.1Å; L160-V164 PolarHBondContact O-N 2.86Å; S161-V164 PolarHBondContact O-N 3.3Å; M162-V164 VanDerWaalsContact C-N 3.34Å; M162-V164 PolarHBondContact O-N 3.1Å; V164-F167 PolarHBondContact O-N 3.11Å; V164-M168 HydrophobicContact CG1-CG 4.41Å; V164-M168 WeakPolarHBondContact O-CB 3.33Å; V164-M168 VanDerWaalsContact O-CG 3.28Å; V164-M168 WeakPolarHBondContact O-CG 3.4Å; V164-M168 PolarHBondContact O-N 3.47Å
165L78.1Confident79.1Confident81 Ų8190.7 Ų90.742%0.42448%0.476SS..Hα-helixtrans-66-39.7177.6-70.3175.6000112.2S161 M162 G169 A191S161-L165 WeakPolarHBondContact O-CB 3.15Å; S161-L165 WeakPolarHBondContact O-CG 3.2Å; S161-L165 PolarHBondContact O-N 2.95Å; M162-L165 PolarHBondContact O-N 3.37Å; L165-G169 PolarHBondContact O-N 2.84Å; L165-A191 HydrophobicContact CB-CB 4.49Å; L165-A191 HydrophobicContact CD1-CB 4.12Å
166L80.4Confident78.4Confident80 Ų8091 Ų9142%0.41947%0.471SS..Hα-helixtrans-64-46.6175.3-172.4156.1000110.5M162 G169 L170M162-L166 VanDerWaalsContact O-CB 3.24Å; M162-L166 WeakPolarHBondContact O-CB 3Å; M162-L166 PolarHBondContact O-N 3.12Å; L166-G169 PolarHBondContact O-N 2.8Å; L166-L170 HydrophobicContact CD2-CD1 3.42Å; L166-L170 VanDerWaalsContact CD2-CD1 3.42Å; L166-L170 HydrophobicContact CD2-CG 3.91Å; L166-L170 WeakPolarHBondContact O-CB 3.24Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3.32Å
167F80.9Confident77.5Confident131 Ų13190.3 Ų90.358%0.57548%0.475SS*.Hα-helixtrans-65.5-43.5179.3-171.6-112.9000112.1L163 V164 G169 L170 I171L163-F167 WeakPolarHBondContact O-CB 3.34Å; L163-F167 PolarHBondContact O-N 3.49Å; V164-F167 PolarHBondContact O-N 3.11Å; F167-G169 VanDerWaalsContact C-N 3.32Å; F167-G169 PolarHBondContact O-N 3.31Å; F167-L170 PolarHBondContact O-N 2.75Å; F167-I171 HydrophobicContact CD1-CD1 3.4Å; F167-I171 VanDerWaalsContact CD1-CD1 3.4Å; F167-I171 HydrophobicContact CD1-CG1 4.34Å; F167-I171 HydrophobicContact CD2-CD1 4.45Å; F167-I171 HydrophobicContact CE1-CD1 3.14Å; F167-I171 HydrophobicContact CE1-CG1 4.16Å; F167-I171 HydrophobicContact CE2-CD1 4.23Å; F167-I171 HydrophobicContact CE2-CG1 4.43Å; F167-I171 HydrophobicContact CG-CD1 4.08Å; F167-I171 HydrophobicContact CZ-CD1 3.58Å; F167-I171 HydrophobicContact CZ-CG1 4.19Å; F167-I171 WeakPolarHBondContact O-CB 3.25Å; F167-I171 VanDerWaalsContact O-CG1 3.26Å; F167-I171 WeakPolarHBondContact O-CG1 3.21Å; F167-I171 PolarHBondContact O-N 3.34Å
168M81.9Confident76.3Confident122 Ų12290.8 Ų90.860%0.60148%0.482SS*.Hα-helixtrans-61.9-39.7173-73.5-63.1-15600111.9V164 F172V164-M168 HydrophobicContact CG1-CG 4.41Å; V164-M168 WeakPolarHBondContact O-CB 3.33Å; V164-M168 VanDerWaalsContact O-CG 3.28Å; V164-M168 WeakPolarHBondContact O-CG 3.4Å; V164-M168 PolarHBondContact O-N 3.47Å; M168-F172 WeakPolarHBondContact O-CB 3.46Å; M168-F172 PolarHBondContact O-N 2.86Å
169G78.1Confident75.1Confident16 Ų1694 Ų9417%0.16550%0.503CS..Hα-helixtrans-64.6-43.4174.400000112.9L165 L166 F167 F172 V173L165-G169 PolarHBondContact O-N 2.84Å; L166-G169 PolarHBondContact O-N 2.8Å; F167-G169 VanDerWaalsContact C-N 3.32Å; F167-G169 PolarHBondContact O-N 3.31Å; G169-F172 PolarHBondContact O-N 3.48Å; G169-V173 WeakPolarHBondContact O-CB 3.26Å; G169-V173 VanDerWaalsContact O-CG2 3.23Å; G169-V173 WeakPolarHBondContact O-CG2 3.47Å; G169-V173 PolarHBondContact O-N 2.76Å
170L79.4Confident74.2Confident102 Ų10294.9 Ų94.953%0.53452%0.52SS..Hα-helixtrans-67.8-42176.4-72.2-175.9000112.2L166 F167 F172 V173 H174L166-L170 HydrophobicContact CD2-CD1 3.42Å; L166-L170 VanDerWaalsContact CD2-CD1 3.42Å; L166-L170 HydrophobicContact CD2-CG 3.91Å; L166-L170 WeakPolarHBondContact O-CB 3.24Å; L166-L170 WeakPolarHBondContact O-CG 3.39Å; L166-L170 PolarHBondContact O-N 3.32Å; F167-L170 PolarHBondContact O-N 2.75Å; L170-F172 VanDerWaalsContact C-N 3.3Å; L170-F172 PolarHBondContact O-N 3.38Å; L170-V173 PolarHBondContact O-N 3.49Å; L170-H174 WeakPolarHBondContact O-CB 3Å; L170-H174 PolarHBondContact O-N 3.46Å
171I80.1Confident73.2Confident75 Ų7593.5 Ų93.539%0.38552%0.518SS..Hα-helixtrans-61.2-43.6172.8-70.6166.2000109.7F167 V173 H174 S175F167-I171 HydrophobicContact CD1-CD1 3.4Å; F167-I171 VanDerWaalsContact CD1-CD1 3.4Å; F167-I171 HydrophobicContact CD1-CG1 4.34Å; F167-I171 HydrophobicContact CD2-CD1 4.45Å; F167-I171 HydrophobicContact CE1-CD1 3.14Å; F167-I171 HydrophobicContact CE1-CG1 4.16Å; F167-I171 HydrophobicContact CE2-CD1 4.23Å; F167-I171 HydrophobicContact CE2-CG1 4.43Å; F167-I171 HydrophobicContact CG-CD1 4.08Å; F167-I171 HydrophobicContact CZ-CD1 3.58Å; F167-I171 HydrophobicContact CZ-CG1 4.19Å; F167-I171 WeakPolarHBondContact O-CB 3.25Å; F167-I171 VanDerWaalsContact O-CG1 3.26Å; F167-I171 WeakPolarHBondContact O-CG1 3.21Å; F167-I171 PolarHBondContact O-N 3.34Å; I171-V173 PolarHBondContact O-N 2.82Å; I171-H174 PolarHBondContact O-N 2.68Å; I171-S175 WeakPolarHBondContact O-CA 3.19Å; I171-S175 WeakPolarHBondContact O-CB 3.38Å; I171-S175 PolarHBondContact O-N 3.09Å
172F72.4Confident72.2Confident89 Ų8995.4 Ų95.439%0.3953%0.529SS..Hα-helixtrans-62.1-43.6178.7-176.6-93.3000111.6M168 G169 L170 H176M168-F172 WeakPolarHBondContact O-CB 3.46Å; M168-F172 PolarHBondContact O-N 2.86Å; G169-F172 PolarHBondContact O-N 3.48Å; L170-F172 VanDerWaalsContact C-N 3.3Å; L170-F172 PolarHBondContact O-N 3.38Å; F172-H176 AromaticContact CD2-CE1 3.37Å; F172-H176 WeakPolarHBondContact CD2-CE1 3.49Å; F172-H176 AromaticContact CD2-ND1 3.3Å; F172-H176 VanDerWaalsContact CD2-ND1 3.3Å; F172-H176 WeakPolarHBondContact CD2-ND1 3.28Å; F172-H176 AromaticContact CE2-CE1 3.35Å; F172-H176 WeakPolarHBondContact CE2-CE1 3.32Å; F172-H176 AromaticContact CE2-ND1 3.39Å; F172-H176 WeakPolarHBondContact CE2-ND1 3.35Å; F172-H176 AromaticContact CG-ND1 3.72Å; F172-H176 AromaticContact CZ-ND1 3.89Å; F172-H176 WeakPolarHBondContact O-CB 3.43Å; F172-H176 PolarHBondContact O-N 3.32Å; F172-H176 PolarHBondContact O-ND1 2.82Å
173V72.4Confident71.3Confident82 Ų8294 Ų9450%0.49753%0.53SS..Hα-helixtrans-66.8-39.5176.1169.50000111.9G169 L170 I171G169-V173 WeakPolarHBondContact O-CB 3.26Å; G169-V173 VanDerWaalsContact O-CG2 3.23Å; G169-V173 WeakPolarHBondContact O-CG2 3.47Å; G169-V173 PolarHBondContact O-N 2.76Å; L170-V173 PolarHBondContact O-N 3.49Å; I171-V173 PolarHBondContact O-N 2.82Å
174H71Confident70.6Confident156 Ų15691.2 Ų91.272%0.72252%0.518SS*.Hα-helixtrans-74-41.4-179.6-168.548.3000112L170 I171 S177L170-H174 WeakPolarHBondContact O-CB 3Å; L170-H174 PolarHBondContact O-N 3.46Å; I171-H174 PolarHBondContact O-N 2.68Å; H174-S177 PolarHBondContact O-OG 3.35Å
175S71.8Confident70Confident87 Ų8791.4 Ų91.461%0.60852%0.521SS*.Hα-helixtrans-71-38.1179.4-176.30000112.9I171I171-S175 WeakPolarHBondContact O-CA 3.19Å; I171-S175 WeakPolarHBondContact O-CB 3.38Å; I171-S175 PolarHBondContact O-N 3.09Å
176H63.4Low69.9Low105 Ų10592.3 Ų92.349%0.48653%0.525SS..THydrogen-bonded Turntrans-101.233.6-179-57.996000113.1F172 I178F172-H176 AromaticContact CD2-CE1 3.37Å; F172-H176 WeakPolarHBondContact CD2-CE1 3.49Å; F172-H176 AromaticContact CD2-ND1 3.3Å; F172-H176 VanDerWaalsContact CD2-ND1 3.3Å; F172-H176 WeakPolarHBondContact CD2-ND1 3.28Å; F172-H176 AromaticContact CE2-CE1 3.35Å; F172-H176 WeakPolarHBondContact CE2-CE1 3.32Å; F172-H176 AromaticContact CE2-ND1 3.39Å; F172-H176 WeakPolarHBondContact CE2-ND1 3.35Å; F172-H176 AromaticContact CG-ND1 3.72Å; F172-H176 AromaticContact CZ-ND1 3.89Å; F172-H176 WeakPolarHBondContact O-CB 3.43Å; F172-H176 PolarHBondContact O-N 3.32Å; F172-H176 PolarHBondContact O-ND1 2.82Å; H176-I178 PolarHBondContact O-N 3.49Å
177S62.2Low69.5Low81 Ų8192.2 Ų92.257%0.56653%0.531SS*.  trans-72.351.5178.947.50000113.7H174H174-S177 PolarHBondContact O-OG 3.35Å
178I54.5Low69.1Low160 Ų16090 Ų9082%0.82153%0.525SS*.SBendtrans-172.6123151.8-67.5114.3000106.6H176H176-I178 PolarHBondContact O-N 3.49Å
179P55.4Low69Low105 Ų10587 Ų8768%0.68252%0.515SS*.SBendcis-110.4179.3-842-28.1000112.5S181P179-S181 PolarHBondContact O-N 2.8Å
180P61.2Low69.1Low132 Ų13289.5 Ų89.586%0.85753%0.527SS*.  trans-81.697-165.232.8-31.3000111.8
181S58.6Low69Low66 Ų6685.7 Ų85.746%0.46251%0.51SS..  trans-80.6133.8167.166.20000110P179 A183P179-S181 PolarHBondContact O-N 2.8Å; S181-A183 PolarHBondContact O-N 3.31Å
182P63.1Low69.1Low97 Ų9785.7 Ų85.763%0.6352%0.517SS*.THydrogen-bonded Turntrans-67.5-2.4-179.427.7-34.9000113.5G184 P185 I186P182-G184 PolarHBondContact O-N 3.26Å; P182-P185 WeakPolarHBondContact O-CD 3.39Å; P182-I186 HydrophobicContact CB-CD1 4.43Å; P182-I186 VanDerWaalsContact O-CD1 3.29Å; P182-I186 WeakPolarHBondContact O-CD1 3.4Å; P182-I186 VanDerWaalsContact O-CG1 3.26Å; P182-I186 WeakPolarHBondContact O-CG1 3.18Å; P182-I186 PolarHBondContact O-N 3.39Å
183A62.8Low69.5Low52 Ų5285.7 Ų85.743%0.4352%0.52SS..Hα-helixtrans-67.6-31.7-177.500000113.2S181 I186 C187S181-A183 PolarHBondContact O-N 3.31Å; A183-I186 PolarHBondContact O-N 2.81Å; A183-C187 VanDerWaalsContact O-CB 3.27Å; A183-C187 WeakPolarHBondContact O-CB 3.47Å; A183-C187 PolarHBondContact O-N 3.46Å
184G69.1Low69.8Low11 Ų1186.6 Ų86.611%0.11352%0.522CS..Hα-helixtrans-60.8-56.3179.100000112.7P182 I186 C187 L188P182-G184 PolarHBondContact O-N 3.26Å; G184-I186 VanDerWaalsContact C-N 3.32Å; G184-I186 PolarHBondContact O-N 2.88Å; G184-C187 PolarHBondContact O-N 2.86Å; G184-L188 WeakPolarHBondContact O-CG 3.48Å; G184-L188 PolarHBondContact O-N 3.39Å
185P73.2Confident70.2Confident89 Ų8981 Ų8158%0.57850%0.502SS*.Hα-helixtrans-60-36.8176.8-26.434.5000114.1P182 L188 S189P182-P185 WeakPolarHBondContact O-CD 3.39Å; P185-L188 PolarHBondContact O-N 2.94Å; P185-S189 PolarHBondContact O-N 3.34Å; P185-S189 PolarHBondContact O-OG 2.89Å
186I76.6Confident70.5Confident100 Ų10082.7 Ų82.751%0.51350%0.502SS..Hα-helixtrans-69-39.4178-62.9166.7000110.8P182 A183 G184 S189 V190P182-I186 HydrophobicContact CB-CD1 4.43Å; P182-I186 VanDerWaalsContact O-CD1 3.29Å; P182-I186 WeakPolarHBondContact O-CD1 3.4Å; P182-I186 VanDerWaalsContact O-CG1 3.26Å; P182-I186 WeakPolarHBondContact O-CG1 3.18Å; P182-I186 PolarHBondContact O-N 3.39Å; A183-I186 PolarHBondContact O-N 2.81Å; G184-I186 VanDerWaalsContact C-N 3.32Å; G184-I186 PolarHBondContact O-N 2.88Å; I186-S189 PolarHBondContact O-N 2.82Å; I186-S189 PolarHBondContact O-OG 2.94Å; I186-V190 HydrophobicContact CG2-CG2 4.39Å; I186-V190 WeakPolarHBondContact O-CB 3.37Å; I186-V190 WeakPolarHBondContact O-CG2 3.19Å; I186-V190 PolarHBondContact O-N 2.85Å
187C71.2Confident71.3Confident79 Ų7984 Ų8453%0.53451%0.507SS..Hα-helixtrans-65.7-41.2176.8-171.90000111.3A183 G184 V190 A191A183-C187 VanDerWaalsContact O-CB 3.27Å; A183-C187 WeakPolarHBondContact O-CB 3.47Å; A183-C187 PolarHBondContact O-N 3.46Å; G184-C187 PolarHBondContact O-N 2.86Å; C187-V190 PolarHBondContact O-N 2.93Å; C187-A191 VanDerWaalsContact O-CB 3.31Å; C187-A191 WeakPolarHBondContact O-CB 3.35Å; C187-A191 PolarHBondContact O-N 2.98Å
188L72.4Confident72.1Confident85 Ų8582.7 Ų82.745%0.44550%0.498SS..Hα-helixtrans-64.9-39.8176-68.8172.2000112.4G184 P185 A191 S192G184-L188 WeakPolarHBondContact O-CG 3.48Å; G184-L188 PolarHBondContact O-N 3.39Å; P185-L188 PolarHBondContact O-N 2.94Å; L188-A191 PolarHBondContact O-N 3.38Å; L188-S192 PolarHBondContact O-N 2.84Å
189S80.6Confident73.3Confident57 Ų5779.2 Ų79.240%0.39948%0.483SS..Hα-helixtrans-67.6-43.4176.970.90000111.7P185 I186 A191 S192 I193P185-S189 PolarHBondContact O-N 3.34Å; P185-S189 PolarHBondContact O-OG 2.89Å; I186-S189 PolarHBondContact O-N 2.82Å; I186-S189 PolarHBondContact O-OG 2.94Å; S189-A191 PolarHBondContact O-N 2.74Å; S189-S192 PolarHBondContact O-N 3.18Å; S189-I193 WeakPolarHBondContact O-CD1 3.25Å; S189-I193 VanDerWaalsContact O-CG1 3.23Å; S189-I193 WeakPolarHBondContact O-CG1 3.28Å; S189-I193 PolarHBondContact O-N 3.04Å
190V79.4Confident74.7Confident69 Ų6977.5 Ų77.542%0.41847%0.471SS..Hα-helixtrans-63.6-41175.9173.80000111.1I186 C187 S192 I193 L194I186-V190 HydrophobicContact CG2-CG2 4.39Å; I186-V190 WeakPolarHBondContact O-CB 3.37Å; I186-V190 WeakPolarHBondContact O-CG2 3.19Å; I186-V190 PolarHBondContact O-N 2.85Å; C187-V190 PolarHBondContact O-N 2.93Å; V190-S192 PolarHBondContact O-N 3.26Å; V190-I193 PolarHBondContact O-N 2.99Å; V190-L194 HydrophobicContact CG1-CD1 3.97Å; V190-L194 HydrophobicContact CG1-CG 4.33Å; V190-L194 WeakPolarHBondContact O-CG 3.21Å; V190-L194 PolarHBondContact O-N 3.38Å
191A77.1Confident75.5Confident22 Ų2274.6 Ų74.618%0.18245%0.451CS..Hα-helixtrans-61-43.5175.100000111.9L165 C187 L188 S189 I193 L194 A195L165-A191 HydrophobicContact CB-CB 4.49Å; L165-A191 HydrophobicContact CD1-CB 4.12Å; C187-A191 VanDerWaalsContact O-CB 3.31Å; C187-A191 WeakPolarHBondContact O-CB 3.35Å; C187-A191 PolarHBondContact O-N 2.98Å; L188-A191 PolarHBondContact O-N 3.38Å; S189-A191 PolarHBondContact O-N 2.74Å; A191-I193 PolarHBondContact O-N 3.25Å; A191-L194 PolarHBondContact O-N 3Å; A191-A195 WeakPolarHBondContact O-CB 3.25Å; A191-A195 PolarHBondContact O-N 3.1Å
192S81.7Confident76.5Confident75 Ų7573 Ų7352%0.52444%0.438SS..Hα-helixtrans-64.2-39.1176.2-171.30000112.4L188 S189 V190 M196L188-S192 PolarHBondContact O-N 2.84Å; S189-S192 PolarHBondContact O-N 3.18Å; V190-S192 PolarHBondContact O-N 3.26Å; S192-M196 WeakPolarHBondContact O-CG 3.43Å; S192-M196 PolarHBondContact O-N 3.48Å; S192-M196 VanDerWaalsContact O-N 3.1Å
193I81.9Confident77.4Confident89 Ų8976 Ų7646%0.45644%0.437SS..Hα-helixtrans-66.1-49.2177.8-68.2163.4000109.9S189 V190 A191 A195 M196 F197S189-I193 WeakPolarHBondContact O-CD1 3.25Å; S189-I193 VanDerWaalsContact O-CG1 3.23Å; S189-I193 WeakPolarHBondContact O-CG1 3.28Å; S189-I193 PolarHBondContact O-N 3.04Å; V190-I193 PolarHBondContact O-N 2.99Å; A191-I193 PolarHBondContact O-N 3.25Å; I193-A195 VanDerWaalsContact C-N 3.3Å; I193-A195 PolarHBondContact O-N 3.49Å; I193-M196 PolarHBondContact O-N 2.82Å; I193-F197 HydrophobicContact CG2-CD2 3.67Å; I193-F197 HydrophobicContact CG2-CE2 3.72Å; I193-F197 WeakPolarHBondContact O-CD2 3.33Å; I193-F197 PolarHBondContact O-N 2.87Å
194L78.6Confident78.2Confident102 Ų10276.6 Ų76.653%0.53443%0.433SS..Hα-helixtrans-63.1-34.9179.1-68.8174.9000112.7V190 A191 S198V190-L194 HydrophobicContact CG1-CD1 3.97Å; V190-L194 HydrophobicContact CG1-CG 4.33Å; V190-L194 WeakPolarHBondContact O-CG 3.21Å; V190-L194 PolarHBondContact O-N 3.38Å; A191-L194 PolarHBondContact O-N 3Å; L194-S198 WeakPolarHBondContact O-CB 3.23Å; L194-S198 PolarHBondContact O-N 3.48Å; L194-S198 PolarHBondContact O-OG 3.49Å
195A78.9Confident78.7Confident38 Ų3880.7 Ų80.731%0.31445%0.451SS..Hα-helixtrans-63-48173.100000111.5A191 I193 F197 S198 V199A191-A195 WeakPolarHBondContact O-CB 3.25Å; A191-A195 PolarHBondContact O-N 3.1Å; I193-A195 VanDerWaalsContact C-N 3.3Å; I193-A195 PolarHBondContact O-N 3.49Å; A195-F197 PolarHBondContact O-N 3.34Å; A195-S198 PolarHBondContact O-N 3.44Å; A195-V199 WeakPolarHBondContact O-CG2 3.4Å; A195-V199 PolarHBondContact O-N 2.93Å
196M79.2Confident78.7Confident122 Ų12279.2 Ų79.260%0.60144%0.442SS*.Hα-helixtrans-60.6-44.8176.3-77-68.8-70.300112.2S192 I193 S198 V199 V200S192-M196 WeakPolarHBondContact O-CG 3.43Å; S192-M196 PolarHBondContact O-N 3.48Å; S192-M196 VanDerWaalsContact O-N 3.1Å; I193-M196 PolarHBondContact O-N 2.82Å; M196-S198 VanDerWaalsContact C-N 3.33Å; M196-S198 PolarHBondContact O-N 2.91Å; M196-V199 PolarHBondContact O-N 3.35Å; M196-V200 VanDerWaalsContact O-CG2 3.28Å; M196-V200 WeakPolarHBondContact O-CG2 3.25Å; M196-V200 PolarHBondContact O-N 2.96Å
197F78.5Confident78.7Confident134 Ų13480.4 Ų80.459%0.58844%0.44SS*.Hα-helixtrans-62.1-40176.6-90.8-83.8000112.2I193 A195 V200 V201I193-F197 HydrophobicContact CG2-CD2 3.67Å; I193-F197 HydrophobicContact CG2-CE2 3.72Å; I193-F197 WeakPolarHBondContact O-CD2 3.33Å; I193-F197 PolarHBondContact O-N 2.87Å; A195-F197 PolarHBondContact O-N 3.34Å; F197-V200 PolarHBondContact O-N 2.93Å; F197-V201 WeakPolarHBondContact O-CB 3.4Å; F197-V201 VanDerWaalsContact O-CG2 3.25Å; F197-V201 WeakPolarHBondContact O-CG2 3.37Å; F197-V201 PolarHBondContact O-N 2.87Å
198S80.3Confident79Confident53 Ų5382.1 Ų82.137%0.37144%0.443SS..Hα-helixtrans-63.5-44.7177.8-59.10000111.4L194 A195 M196 V200 V201 T202L194-S198 WeakPolarHBondContact O-CB 3.23Å; L194-S198 PolarHBondContact O-N 3.48Å; L194-S198 PolarHBondContact O-OG 3.49Å; A195-S198 PolarHBondContact O-N 3.44Å; M196-S198 VanDerWaalsContact C-N 3.33Å; M196-S198 PolarHBondContact O-N 2.91Å; S198-V200 PolarHBondContact O-N 3.36Å; S198-V201 PolarHBondContact O-N 3.27Å; S198-T202 WeakPolarHBondContact O-CB 3.39Å; S198-T202 PolarHBondContact O-N 3.47Å; S198-T202 PolarHBondContact O-OG1 2.99Å
199V79.8Confident78.9Confident86 Ų8684.8 Ų84.852%0.52145%0.451SS..Hα-helixtrans-62.4-43.7176.7173.20000111.3A195 M196 T202 W203A195-V199 WeakPolarHBondContact O-CG2 3.4Å; A195-V199 PolarHBondContact O-N 2.93Å; M196-V199 PolarHBondContact O-N 3.35Å; V199-T202 PolarHBondContact O-N 2.98Å; V199-W203 VanDerWaalsContact O-CB 3.25Å; V199-W203 WeakPolarHBondContact O-CB 3.45Å; V199-W203 PolarHBondContact O-N 2.76Å
200V83.6Confident77.9Confident69 Ų6989.1 Ų89.142%0.41846%0.46SS..Hα-helixtrans-64.9-43.8178.1172.40000111.1M196 F197 S198 W203 L204M196-V200 VanDerWaalsContact O-CG2 3.28Å; M196-V200 WeakPolarHBondContact O-CG2 3.25Å; M196-V200 PolarHBondContact O-N 2.96Å; F197-V200 PolarHBondContact O-N 2.93Å; S198-V200 PolarHBondContact O-N 3.36Å; V200-W203 PolarHBondContact O-N 3.49Å; V200-L204 HydrophobicContact CG1-CD1 3.94Å; V200-L204 HydrophobicContact CG1-CG 4.33Å; V200-L204 WeakPolarHBondContact O-CB 3.31Å; V200-L204 VanDerWaalsContact O-CG 3.25Å; V200-L204 WeakPolarHBondContact O-CG 3.23Å; V200-L204 PolarHBondContact O-N 3.06Å
201V79.6Confident77.3Confident71 Ų7193.4 Ų93.443%0.4347%0.469SS..Hα-helixtrans-67.1-43.1178171.20000110.9F197 S198 W203 L204 I205F197-V201 WeakPolarHBondContact O-CB 3.4Å; F197-V201 VanDerWaalsContact O-CG2 3.25Å; F197-V201 WeakPolarHBondContact O-CG2 3.37Å; F197-V201 PolarHBondContact O-N 2.87Å; S198-V201 PolarHBondContact O-N 3.27Å; V201-W203 VanDerWaalsContact C-N 3.35Å; V201-W203 PolarHBondContact O-N 3.01Å; V201-L204 PolarHBondContact O-N 3.24Å; V201-I205 HydrophobicContact CG1-CD1 3.6Å; V201-I205 HydrophobicContact CG1-CG1 4.27Å; V201-I205 WeakPolarHBondContact O-CB 3.42Å; V201-I205 WeakPolarHBondContact O-CD1 3.35Å; V201-I205 WeakPolarHBondContact O-CG1 3.27Å; V201-I205 PolarHBondContact O-N 3.47Å
202T79.6Confident75.9Confident34 Ų3496.8 Ų96.821%0.20949%0.489CS..Hα-helixtrans-60.6-45.1173.9-59.40000111C154 S198 V199 I205 C206C154-T202 HydrophobicContact CB-CG2 3.88Å; S198-T202 WeakPolarHBondContact O-CB 3.39Å; S198-T202 PolarHBondContact O-N 3.47Å; S198-T202 PolarHBondContact O-OG1 2.99Å; V199-T202 PolarHBondContact O-N 2.98Å; T202-I205 PolarHBondContact O-N 3.47Å; T202-C206 WeakPolarHBondContact O-CB 3.21Å; T202-C206 PolarHBondContact O-N 2.94Å; T202-C206 PolarHBondContact O-SG 3.45Å
203W80.5Confident74.3Confident159 Ų15999.4 Ų99.460%0.60250%0.497SS*.Hα-helixtrans-62.1-43.8175.8179.783.7000112.1V199 V200 V201 C206 W207V199-W203 VanDerWaalsContact O-CB 3.25Å; V199-W203 WeakPolarHBondContact O-CB 3.45Å; V199-W203 PolarHBondContact O-N 2.76Å; V200-W203 PolarHBondContact O-N 3.49Å; V201-W203 VanDerWaalsContact C-N 3.35Å; V201-W203 PolarHBondContact O-N 3.01Å; W203-C206 CarbonylContact O-C 3.28Å; W203-C206 WeakPolarHBondContact O-CB 3.45Å; W203-C206 PolarHBondContact O-N 2.77Å; W203-W207 WeakPolarHBondContact O-CB 3.3Å; W203-W207 PolarHBondContact O-N 3.37Å
204L81.3Confident72.6Confident65 Ų65103 Ų10334%0.3451%0.511SS..Hα-helixtrans-64-40.2176-77173000112.1V200 V201 W207 L208V200-L204 HydrophobicContact CG1-CD1 3.94Å; V200-L204 HydrophobicContact CG1-CG 4.33Å; V200-L204 WeakPolarHBondContact O-CB 3.31Å; V200-L204 VanDerWaalsContact O-CG 3.25Å; V200-L204 WeakPolarHBondContact O-CG 3.23Å; V200-L204 PolarHBondContact O-N 3.06Å; V201-L204 PolarHBondContact O-N 3.24Å; L204-W207 HydrophobicContact CD2-CE3 4.19Å; L204-W207 PolarHBondContact O-N 2.98Å; L204-L208 VanDerWaalsContact O-CB 3.25Å; L204-L208 WeakPolarHBondContact O-CB 3.46Å; L204-L208 WeakPolarHBondContact O-CG 3.32Å; L204-L208 PolarHBondContact O-N 2.99Å
205I79.6Confident71Confident97 Ų97106.6 Ų106.650%0.49753%0.526SS..Hα-helixtrans-66.9-43.4175.9-68.7164.9000109.9V201 T202 W207 K209V201-I205 HydrophobicContact CG1-CD1 3.6Å; V201-I205 HydrophobicContact CG1-CG1 4.27Å; V201-I205 WeakPolarHBondContact O-CB 3.42Å; V201-I205 WeakPolarHBondContact O-CD1 3.35Å; V201-I205 WeakPolarHBondContact O-CG1 3.27Å; V201-I205 PolarHBondContact O-N 3.47Å; T202-I205 PolarHBondContact O-N 3.47Å; I205-W207 VanDerWaalsContact C-N 3.3Å; I205-W207 PolarHBondContact O-N 3.41Å; I205-K209 WeakPolarHBondContact O-CB 3.33Å; I205-K209 PolarHBondContact O-N 3.48Å
206C71.4Confident69.4Low58 Ų58111.8 Ų111.839%0.39255%0.554SS.*Hα-helixtrans-59.6-43.1173.2-73.60000111.2T202 W203 Y210T202-C206 WeakPolarHBondContact O-CB 3.21Å; T202-C206 PolarHBondContact O-N 2.94Å; T202-C206 PolarHBondContact O-SG 3.45Å; W203-C206 CarbonylContact O-C 3.28Å; W203-C206 WeakPolarHBondContact O-CB 3.45Å; W203-C206 PolarHBondContact O-N 2.77Å; C206-Y210 WeakPolarHBondContact O-CB 3.34Å; C206-Y210 PolarHBondContact O-N 2.91Å
207W77.3Confident67.6Low125 Ų125109 Ų10947%0.47356%0.556SS.*Hα-helixtrans-70.6-42.8-179.9-178.567.7000112.7W203 L204 I205 K209 Y210 R211W203-W207 WeakPolarHBondContact O-CB 3.3Å; W203-W207 PolarHBondContact O-N 3.37Å; L204-W207 HydrophobicContact CD2-CE3 4.19Å; L204-W207 PolarHBondContact O-N 2.98Å; I205-W207 VanDerWaalsContact C-N 3.3Å; I205-W207 PolarHBondContact O-N 3.41Å; W207-K209 VanDerWaalsContact C-N 3.35Å; W207-Y210 CarbonylContact O-C 3.6Å; W207-Y210 PolarHBondContact O-N 2.89Å; W207-R211 WeakPolarHBondContact O-CA 3.29Å; W207-R211 PolarHBondContact O-N 2.92Å
208L77Confident65.8Low114 Ų114113 Ų11360%0.59757%0.567SS**Hα-helixtrans-65.2-39.6175.6-75.7171.1000111.4L204L204-L208 VanDerWaalsContact O-CB 3.25Å; L204-L208 WeakPolarHBondContact O-CB 3.46Å; L204-L208 WeakPolarHBondContact O-CG 3.32Å; L204-L208 PolarHBondContact O-N 2.99Å
209K71.3Confident64.1Low141 Ų141117.6 Ų117.661%0.61359%0.594SS**Hα-helixtrans-77.1-25.1179.7-160.6165.689.3102.80112.9I205 W207I205-K209 WeakPolarHBondContact O-CB 3.33Å; I205-K209 PolarHBondContact O-N 3.48Å; W207-K209 VanDerWaalsContact C-N 3.35Å
210Y58.8Low62.2Low149 Ų149117.8 Ų117.858%0.58460%0.598SS**THydrogen-bonded Turntrans-105.910.7178-165.7-103.1000112.3C206 W207 P212C206-Y210 WeakPolarHBondContact O-CB 3.34Å; C206-Y210 PolarHBondContact O-N 2.91Å; W207-Y210 CarbonylContact O-C 3.6Å; W207-Y210 PolarHBondContact O-N 2.89Å; Y210-P212 WeakPolarHBondContact O-CD 3.26Å
211R66.6Low60.1Low158 Ų158118.8 Ų118.860%0.59661%0.614SS**  trans-57.2108.8177.6-174.3173.9-174.1172.81.5106.1W207 D213W207-R211 WeakPolarHBondContact O-CA 3.29Å; W207-R211 PolarHBondContact O-N 2.92Å; R211-D213 PolarHBondContact O-N 3.48Å; R211-D213 VanDerWaalsContact O-N 3.09Å
212P48.2Very low58.2Low93 Ų93122.2 Ų122.260%0.60464%0.635SS**  trans-62122.8171.527.1-28.9000103.8Y210 H214Y210-P212 WeakPolarHBondContact O-CD 3.26Å; P212-H214 PolarHBondContact O-N 2.93Å
213D49.1Very low56.4Low131 Ų131125.6 Ų125.670%0.70166%0.661SS**  trans-60.187.6168-78.2-42.5000105.5R136 R211 E215R136-D213 IonicContact NH2-OD2 3.35Å; R211-D213 PolarHBondContact O-N 3.48Å; R211-D213 VanDerWaalsContact O-N 3.09Å; D213-E215 PolarHBondContact O-N 3.28Å; D213-E215 VanDerWaalsContact O-N 3.11Å
214H45.3Very low54.6Low163 Ų163126.1 Ų126.176%0.75568%0.675SS**  trans-65.3115.4173.7-158.6-76.3000104.7P212 T216P212-H214 PolarHBondContact O-N 2.93Å; H214-T216 PolarHBondContact O-N 3.48Å
215E46.2Very low53Low178 Ų178127.9 Ų127.983%0.83269%0.693SS**  trans-30.497.5179.3-67170.1100.200112.4D213 G217D213-E215 PolarHBondContact O-N 3.28Å; D213-E215 VanDerWaalsContact O-N 3.11Å; E215-G217 PolarHBondContact O-N 2.96Å; E215-G217 VanDerWaalsContact O-N 3.12Å
216T45.2Very low51.3Low147 Ų147134.5 Ų134.590%0.90271%0.712SS**  trans-82.663.4152.730.10000107.5H214 R218H214-T216 PolarHBondContact O-N 3.48Å; T216-R218 VanDerWaalsContact C-N 3.28Å; T216-R218 PolarHBondContact O-N 3.15Å
217G40.5Very low50.3Low63 Ų63142.6 Ų142.665%0.64973%0.734SS**  trans-63.493161.100000108.8E215 T219E215-G217 PolarHBondContact O-N 2.96Å; E215-G217 VanDerWaalsContact O-N 3.12Å; G217-T219 PolarHBondContact O-N 3.07Å
218R41.3Very low48.5Very low218 Ų218143.7 Ų143.782%0.82375%0.749SS**  trans25.585.1148.6-73.4179170.790.7-1.8115.5T216 S220T216-R218 VanDerWaalsContact C-N 3.28Å; T216-R218 PolarHBondContact O-N 3.15Å; R218-S220 PolarHBondContact O-N 3Å
219T43.5Very low46.5Very low151 Ų151146.3 Ų146.393%0.92679%0.787SS**  trans-71.478.1139.449.70000107.6G217G217-T219 PolarHBondContact O-N 3.07Å
220S39.5Very low45.3Very low89 Ų89146.6 Ų146.662%0.62280%0.796SS**  trans-91.7110.3165.6-59.10000107.5R218R218-S220 PolarHBondContact O-N 3Å
221A40.6Very low44.5Very low90 Ų90146.5 Ų146.574%0.74481%0.807SS**  trans-45.2136.3173.900000113
222T39.5Very low43.3Very low144 Ų144145.8 Ų145.888%0.88382%0.819SS**  trans-131.498.5136.4-53.60000106.1
223S42.6Very low43Very low105 Ų105148.9 Ų148.973%0.73483%0.832SS**  trans-62.7133.1172.354.10000109S225S223-S225 PolarHBondContact O-N 3.48Å; S223-S225 VanDerWaalsContact O-N 3.15Å
224N42.7Very low42.7Very low169 Ų169150.1 Ų150.190%0.90484%0.84SS**  trans-54.4113.8169.4-121.9-10.9000109.8
225S47Very low42.5Very low103 Ų103149.2 Ų149.272%0.7285%0.845SS**  trans-149.491.6156.9-166.50000109.7S223S223-S225 PolarHBondContact O-N 3.48Å; S223-S225 VanDerWaalsContact O-N 3.15Å
226R44Very low42.2Very low235 Ų235147.1 Ų147.189%0.88785%0.846SS**  -174118115.6-96.3164.9-168.2-1703.8110.9
227R49.2Very low42Very low229 Ų229147.2 Ų147.286%0.86484%0.842SS**  trans-62.9163.6154.3-77.8173.5-108.1170.6-5.8110
228N40.9Very low42.1Very low147 Ų147154.2 Ų154.279%0.78686%0.858SS**  trans110119.2162.5-61.68.7000112.1
229A34.6Very low42.2Very low170 Ų170148.4 Ų148.4100%1.40586%0.861SS**  cis46.102600000113.5

Retrieved 229 of 229 residues in 138.1 ms (Link to these results)

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